466	854	956	0:SP3_SP3_SP3	C[6]	N[6]	N	3:4:3:1:	6:4:4:4:	4:4:4:	C[6,6a]-3:N[6]-4:N-3:H-1:	Nb[6,6]-6:C[6]-4:C-4:C-4:	C[6]-4:C-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Nb[6,6]CC)(NCC)(H)	N[6](Nb[6,6]N[6]O[6]2NN)(C[6]C[6,6a]HN)(CH3)2	N(C[6]C[6,6a]N[6]H)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Nb[6,6]CC)(NCC)(H){1|H<1>,1|N<2>,2|C<3>,2|N<3>,2|O<2>}	N[6](Nb[6,6]N[6]O[6]2NN)(C[6]C[6,6a]HN)(CH3)2{5|C<3>}	N(C[6]C[6,6a]N[6]H)(CH3)2	116.3750	0.000	1	116.3750	0.000	1	116.3750	0.000	1	116.3750	0.000	1	116.3750	0.000	1	116.3750	0.000	1
466	854	983	0:SP3_SP1_SP3	C[6]	N[6]	C	4:4:2:1:	4:4:4:1:	4:1:	C[6]-4:N[6]-4:C-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CO)(N[6]C[6]CH)(CH)(H)	N[6](C[6]C[6]CH)2(CC[6a]HH)(H)	C(C[6]C[6]N[6]H)(H)	C[6](C[6]C[6]CO)(N[6]C[6]CH)(CH)(H){1|H<1>,1|O<2>,3|C<4>}	N[6](C[6]C[6]CH)2(CC[6a]HH)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]N[6]H)(H)	112.1670	0.000	1	112.1670	0.000	1	112.1670	0.000	1	112.1670	0.000	1	112.1670	0.000	1	112.1670	0.000	1
466	854	992	0:SP3_SP3_SP3	C[6]	N[6]	P	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:N[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:O-1:O-1:	C[6](C[6]C[6]CH)(N[6]C[6]HH)(PO3)(H)	N[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]N[6]H)(OH)(O)2	C[6](C[6]C[6]CH)(N[6]C[6]HH)(PO3)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<3>,1|C<4>,3|H<1>}	P(C[6]C[6]N[6]H)(OH)(O)2	109.5660	0.000	1	109.5660	0.000	1	109.4232	4.080	6	109.4232	4.080	6	109.0144	4.569	7	109.0144	4.569	7
466	854	992	0:SP3_SP3_SP3	C[6]	N[6]	P	4:4:4:1:	4:4:1:1:	4:2:1:1:	C[6]-4:N[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:O-1:O-1:	C[6](C[6]N[6]HP)(N[6]C[6]HH)(PO3)(H)	N[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]N[6]H)(OH)(O)2	C[6](C[6]N[6]HP)(N[6]C[6]HH)(PO3)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|N<4>,1|P<4>,3|H<1>}	P(C[6]C[6]N[6]H)(OH)(O)2	109.3946	2.257	5	109.3946	5.093	5	109.4232	4.080	6	109.4232	4.080	6	109.0144	4.569	7	109.0144	4.569	7
466	854	992	0:SP3_SP3_SP3	C[6]	N[6]	P	4:4:4:1:	4:4:1:1:	4:2:2:1:	C[6]-4:N[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:O-2:O-1:	C[6](C[6]N[6]HP)(N[6]C[6]HH)(PO3)(H)	N[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	P(C[6]C[6]N[6]H)(OH)2(O)	C[6](C[6]N[6]HP)(N[6]C[6]HH)(PO3)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|N<4>,1|P<4>,3|H<1>}	P(C[6]C[6]N[6]H)(OH)2(O)	106.5620	0.000	1	106.5620	0.000	1	106.5620	0.000	1	106.5620	0.000	1	109.0144	4.569	7	109.0144	4.569	7
466	855	951	0:SP3_SP-NON_SPD6	C[6]	Si[6,6]	H	6:4:1:1:	4:4:2:2:1:1:	4:	Si[6,6]-6:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:Cl-1:Cl-1:	C[6]-4:	C[6](Si[6,6]C[6]O[6]2Cl2)(N[6]N[6]CC)(H)2	Si[6,6](C[6]N[6]HH)2(O[6]C[6])2(Cl)2	H(C[6]Si[6,6]N[6]H)	C[6](Si[6,6]C[6]O[6]2Cl2)(N[6]N[6]CC)(H)2{1|N<4>,2|C<3>,2|H<1>}	Si[6,6](C[6]N[6]HH)2(O[6]C[6])2(Cl)2{2|N<2>,6|C<4>}	H(C[6]Si[6,6]N[6]H)	107.8057	0.018	3	107.8057	0.000	3	107.8057	0.000	3	107.8057	0.000	3	107.8057	0.000	3	107.8057	0.000	3
466	856	856	0:SP3_SP2_SP2	C[6,6]	N[6]	N[6]	3:3:3:1:	4:3:1:	4:3:1:	C[6,6,6a]-3:N[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6,6a]C[6,6a]2)(N[6]C[6]H)2(H)	N[6](C[6,6]C[6,6,6a]N[6]H)(C[6]N[6]N)(H)	N[6](C[6,6]C[6,6,6a]N[6]H)(C[6]N[6]N)(H)	C[6,6](C[6,6,6a]C[6,6a]2)(N[6]C[6]H)2(H){2|C<3>,4|N<3>}	N[6](C[6,6]C[6,6,6a]N[6]H)(C[6]N[6]N)(H){2|H<1>,3|C<3>}	N[6](C[6,6]C[6,6,6a]N[6]H)(C[6]N[6]N)(H){2|H<1>,3|C<3>}	110.4210	0.000	1	110.4210	0.000	1	110.4210	0.000	1	110.4210	0.000	1	111.7637	2.702	42	111.7637	2.702	42
466	856	856	0:SP3_SP2_SP2	C[6,6]	N[6]	N[6]	3:3:3:3:	3:4:4:	4:3:1:	N[6]-3:C[6]-3:N[6]-3:N[6]-3:	C[6,6a]-3:C[6,6]-4:C[3]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](N[6]C[6,6a]C[3])(C[6]C[6]O)(N[6]C[6]H)2	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6]2)(C[3]C[3]2H)	N[6](C[6,6]C[6]N[6]2)(C[6]C[6]O)(H)	C[6,6](N[6]C[6,6a]C[3])(C[6]C[6]O)(N[6]C[6]H)2{1|H<1>,1|N<2>,2|C<3>,2|O<1>,3|C<4>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6]2)(C[3]C[3]2H){1|O<1>,5|C<3>,6|H<1>}	N[6](C[6,6]C[6]N[6]2)(C[6]C[6]O)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	110.3080	0.000	1	110.3080	0.000	1	110.3080	0.000	1	110.3080	0.000	1	111.7637	2.702	42	111.7637	2.702	42
466	856	856	0:SP3_SP2_SP2	C[6,6]	N[6]	N[6]	3:3:3:3:	4:3:1:	4:3:1:	N[6]-3:C[6]-3:N[6]-3:N[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](N[6]C[6,6a]C[3])(C[6]C[6]O)(N[6]C[6]H)2	N[6](C[6,6]C[6]N[6]2)(C[6]C[6,6a]O)(H)	N[6](C[6,6]C[6]N[6]2)(C[6]C[6]O)(H)	C[6,6](N[6]C[6,6a]C[3])(C[6]C[6]O)(N[6]C[6]H)2{1|H<1>,1|N<2>,2|C<3>,2|O<1>,3|C<4>}	N[6](C[6,6]C[6]N[6]2)(C[6]C[6,6a]O)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[6](C[6,6]C[6]N[6]2)(C[6]C[6]O)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	106.5120	0.000	1	106.5120	0.000	1	106.5120	0.000	1	106.5120	0.000	1	111.7637	2.702	42	111.7637	2.702	42
466	856	856	0:SP3_SP2_SP2	C[6,6]	N[6]	N[6]	3:4:3:1:	4:3:3:	3:4:4:	N[6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C-4:	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(H)	N[6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(CC[6a]HH)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(H){1|C<4>,1|H<1>,5|C<3>}	N[6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){3|C<4>,4|C<3>,6|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	112.4990	0.000	1	112.4990	0.000	1	112.4990	0.000	1	112.4990	0.000	1	111.7637	2.702	42	111.7637	2.702	42
466	856	856	0:SP3_SP2_SP2	C[6,6]	N[6]	N[6]	4:3:3:1:	4:3:4:	4:3:4:	C[5,6,6]-4:N[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:C-4:	C[6,6](C[5,6,6]C[6,6]C[5]2)(N[6]C[6]C)2(H)	N[6](C[6,6]C[5,6,6]N[6]H)(C[6]N[6]O)(CN[6]HH)	N[6](C[6,6]C[5,6,6]N[6]H)(C[6]N[6]O)(CN[6]HH)	C[6,6](C[5,6,6]C[6,6]C[5]2)(N[6]C[6]C)2(H){2|C<4>,2|N<3>,2|O<2>,5|H<1>}	N[6](C[6,6]C[5,6,6]N[6]H)(C[6]N[6]O)(CN[6]HH){1|C<3>,5|C<4>}	N[6](C[6,6]C[5,6,6]N[6]H)(C[6]N[6]O)(CN[6]HH){1|C<3>,5|C<4>}	111.0759	1.232	10	111.0759	1.517	10	111.0759	1.517	10	112.3870	1.535	30	111.7637	2.702	42	111.7637	2.702	42
466	856	856	0:SP3_SP2_SP2	C[6,6]	N[6]	N[6]	4:3:3:1:	4:3:4:	4:3:4:	C[6,6]-4:N[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:C-4:	C[6,6](C[6,6]C[6,6]CC)(N[6]C[6]C)2(H)	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CN[5]HH)	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CN[5]HH)	C[6,6](C[6,6]C[6,6]CC)(N[6]C[6]C)2(H){1|H<1>,2|N<3>,2|O<1>}	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CN[5]HH){1|C<3>,5|C<4>}	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CN[5]HH){1|C<3>,5|C<4>}	113.1312	0.452	4	113.1312	0.204	4	113.0426	0.268	20	112.3870	1.535	30	111.7637	2.702	42	111.7637	2.702	42
466	856	856	0:SP3_SP2_SP2	C[6,6]	N[6]	N[6]	4:3:3:1:	4:3:4:	4:3:4:	C[6,6]-4:N[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:C-4:	C[6,6](C[6,6]C[6,6]CC)(N[6]C[6]C)2(H)	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CN[6]HH)	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CN[6]HH)	C[6,6](C[6,6]C[6,6]CC)(N[6]C[6]C)2(H){1|H<1>,2|N<3>,2|O<1>}	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CN[6]HH){1|C<3>,5|C<4>}	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CN[6]HH){1|C<3>,5|C<4>}	113.0349	0.534	14	113.0349	0.285	14	113.0426	0.268	20	112.3870	1.535	30	111.7637	2.702	42	111.7637	2.702	42
466	856	856	0:SP3_SP2_SP2	C[6,6]	N[6]	N[6]	4:3:3:1:	4:3:4:	4:3:4:	C[6,6]-4:N[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:C-4:	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6]C)2(H)	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CC[6a]HH)	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CC[6a]HH)	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6]C)2(H){1|H<1>,2|N<3>,2|O<1>}	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CC[6a]HH){1|C<3>,2|H<1>,3|C<4>}	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CC[6a]HH){1|C<3>,2|H<1>,3|C<4>}	112.3220	0.000	1	112.3220	0.000	1	113.0426	0.268	20	112.3870	1.535	30	111.7637	2.702	42	111.7637	2.702	42
466	856	856	0:SP3_SP2_SP2	C[6,6]	N[6]	N[6]	4:3:3:1:	4:3:4:	4:3:4:	C[6,6]-4:N[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:C-4:	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6]C)2(H)	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CN[6]HH)	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CN[6]HH)	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6]C)2(H){1|H<1>,2|N<3>,2|O<1>}	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CN[6]HH){1|C<3>,2|H<1>,3|C<4>}	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CN[6]HH){1|C<3>,2|H<1>,3|C<4>}	113.5150	0.000	1	113.5150	0.000	1	113.0426	0.268	20	112.3870	1.535	30	111.7637	2.702	42	111.7637	2.702	42
466	856	856	0:SP3_SP2_SP2	C[6,6]	N[6]	N[6]	4:3:3:3:	4:3:1:	4:3:1:	C[6,6]-4:C[6a]-3:N[6]-3:N[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6a]C[6a]2)(N[6]C[6]H)2	N[6](C[6,6]C[6,6]C[6a]N[6])(C[6]N[6]O)(H)	N[6](C[6,6]C[6,6]C[6a]N[6])(C[6]N[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6a]C[6a]2)(N[6]C[6]H)2{2|N<3>,2|O<1>,4|C<3>,4|H<1>}	N[6](C[6,6]C[6,6]C[6a]N[6])(C[6]N[6]O)(H){2|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6]C[6,6]C[6a]N[6])(C[6]N[6]O)(H){2|C<4>,3|C<3>,3|H<1>}	108.5310	0.000	1	108.5310	0.000	1	108.5310	0.000	1	108.5310	0.000	1	111.7637	2.702	42	111.7637	2.702	42
466	856	856	0:SP3_SP2_SP2	C[6,6]	N[6]	N[6]	4:3:3:4:	4:3:1:	4:3:1:	C[6,6]-4:N[6]-3:N[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[3x6]HH)(N[6]C[6]H)2(CH3)	N[6](C[6,6]C[6,6]N[6]C)(C[6]C[6,6]O)(H)	N[6](C[6,6]C[6,6]N[6]C)(C[6]C[6,6]O)(H)	C[6,6](C[6,6]C[3x6]HH)(N[6]C[6]H)2(CH3){1|H<1>,2|C<4>,2|O<1>}	N[6](C[6,6]C[6,6]N[6]C)(C[6]C[6,6]O)(H){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6]C[6,6]N[6]C)(C[6]C[6,6]O)(H){2|C<3>,2|C<4>,3|H<1>}	110.2040	0.000	1	110.2040	0.000	1	110.5994	0.433	7	110.5994	0.433	7	111.7637	2.702	42	111.7637	2.702	42
466	856	856	0:SP3_SP2_SP2	C[6,6]	N[6]	N[6]	4:3:3:4:	4:3:1:	4:3:1:	C[6,6]-4:N[6]-3:N[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[5,6,6]HH)(N[6]C[6]H)2(CH3)	N[6](C[6,6]C[6,6]N[6]C)(C[6]C[5,6]O)(H)	N[6](C[6,6]C[6,6]N[6]C)(C[6]C[5,6]O)(H)	C[6,6](C[6,6]C[5,6,6]HH)(N[6]C[6]H)2(CH3){1|H<1>,2|C<4>,2|O<1>}	N[6](C[6,6]C[6,6]N[6]C)(C[6]C[5,6]O)(H){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6]C[6,6]N[6]C)(C[6]C[5,6]O)(H){2|C<3>,2|C<4>,3|H<1>}	110.6653	0.695	6	110.6653	0.484	6	110.5994	0.433	7	110.5994	0.433	7	111.7637	2.702	42	111.7637	2.702	42
466	856	856	0:SP3_SP2_SP3	C[3x6]	N[6,6]	N[6]	3:3:4:1:	4:4:4:	4:3:3:	N[6,6]-3:N[6]-3:C[5x6]-4:H-1:	C[4,3x6]-4:C[3x6]-4:C-4:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[3x6](N[6,6]C[4,3x6]C)(N[6]C[6,6]C[6a])(C[5x6]C[4x6]2N)(H)	N[6,6](C[4,3x6]C[4,3x6]C[4,4x6]H)(C[3x6]C[5x6]N[6]H)(CC[6a]HH)	N[6](C[3x6]C[5x6]N[6,6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[3x6](N[6,6]C[4,3x6]C)(N[6]C[6,6]C[6a])(C[5x6]C[4x6]2N)(H){3|C<4>,3|H<1>,4|C<3>}	N[6,6](C[4,3x6]C[4,3x6]C[4,4x6]H)(C[3x6]C[5x6]N[6]H)(CC[6a]HH){1|H<1>,2|C<3>,2|N<3>,3|C<4>}	N[6](C[3x6]C[5x6]N[6,6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|N<3>,3|C<3>,4|H<1>,5|C<4>}	112.1965	0.083	2	112.1965	0.007	2	112.1965	0.007	2	112.1965	0.007	2	112.1965	0.007	2	113.1826	1.339	5
466	856	856	0:SP3_SP2_SP3	C[6,6]	N[6]	N[6]	4:3:3:1:	3:4:1:	4:4:4:	C[4x6]-4:N[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6](C[4x6]C[6,6a]C[4x6]C[6])(N[6]C[6,6a]H)(N[6]C[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[4x6]N[6]H)(H)	N[6](C[6,6]C[4x6]N[6]H)(C[6]C[6]HH)(CH3)	C[6,6](C[4x6]C[6,6a]C[4x6]C[6])(N[6]C[6,6a]H)(N[6]C[6]C)(H){3|C<4>,4|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[4x6]N[6]H)(H){1|H<1>,3|C<3>,4|C<4>}	N[6](C[6,6]C[4x6]N[6]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,3|H<1>}	114.1865	1.177	2	114.1865	1.386	2	114.1865	1.386	2	114.1865	1.386	2	113.8400	1.053	3	113.1826	1.339	5
466	856	856	0:SP3_SP2_SP3	C[6,6]	N[6]	N[6]	4:3:3:1:	4:3:3:	4:4:4:	C[3x6]-4:N[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6a]-3:	C[6,6]-4:C[6]-4:C-4:	C[6,6](C[3x6]C[3x6]C[6,6]N)(N[6]C[6,6]C[6a])(N[6]C[6]C)(H)	N[6](C[6,6]C[3x6]N[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	N[6](C[6,6]C[3x6]N[6]H)(C[6]C[6,6]HH)(CC[6a]HH)	C[6,6](C[3x6]C[3x6]C[6,6]N)(N[6]C[6,6]C[6a])(N[6]C[6]C)(H){3|C<4>,4|C<3>,4|H<1>}	N[6](C[6,6]C[3x6]N[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|N<3>,3|C<3>,4|H<1>,5|C<4>}	N[6](C[6,6]C[3x6]N[6]H)(C[6]C[6,6]HH)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	113.1470	0.000	1	113.1470	0.000	1	113.1470	0.000	1	113.1470	0.000	1	113.8400	1.053	3	113.1826	1.339	5
466	856	856	0:SP3_SP3_SP3	C[6,6]	N[6]	N[6]	4:3:3:4:	4:4:1:	4:4:1:	C[3x6]-4:N[6]-3:N[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6,6](C[3x6]N[6,6]2H)(N[6]C[6]H)2(CH3)	N[6](C[6,6]C[3x6]N[6]C)(C[6]C[6]HH)(H)	N[6](C[6,6]C[3x6]N[6]C)(C[6]C[6]HH)(H)	C[6,6](C[3x6]N[6,6]2H)(N[6]C[6]H)2(CH3){4|C<4>,4|H<1>}	N[6](C[6,6]C[3x6]N[6]C)(C[6]C[6]HH)(H){1|C<4>,2|N<3>,4|H<1>}	N[6](C[6,6]C[3x6]N[6]C)(C[6]C[6]HH)(H){1|C<4>,2|N<3>,4|H<1>}	110.7640	0.000	1	110.7640	0.000	1	110.7640	0.000	1	110.7640	0.000	1	110.7640	0.000	1	110.7640	0.000	1
466	856	856	6:SP3_SP2_SP2	C[3x6]	N[6,6]	N[6,6]	4:3:3:3:	4:3:1:	4:3:1:	C[6,6]-4:N[6,6]-3:N[6,6]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[6,6]HH)(N[6,6]C[6,6]H)2(C[6a]C[6a]2)	N[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[6,6]C[3x6]O)(H)	N[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[6,6]C[3x6]O)(H)	C[3x6](C[6,6]C[6,6]HH)(N[6,6]C[6,6]H)2(C[6a]C[6a]2){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	N[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[6,6]C[3x6]O)(H){1|C<4>,3|C<3>,4|H<1>}	N[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[6,6]C[3x6]O)(H){1|C<4>,3|C<3>,4|H<1>}	106.4370	0.000	1	107.0530	0.759	2	107.0530	0.759	2	107.0530	0.759	2	106.9569	0.382	8	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[3x6]	N[6,6]	N[6,6]	4:3:3:3:	4:3:1:	4:3:1:	C[6,6]-4:N[6,6]-3:N[6,6]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[6,6]HH)(N[6,6]C[6,6]H)2(C[6a]C[6a]2)	N[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[6,6]C[3x6]O)(H)	N[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[6,6]C[3x6]O)(H)	C[3x6](C[6,6]C[6,6]HH)(N[6,6]C[6,6]H)2(C[6a]C[6a]2){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	N[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[6,6]C[3x6]O)(H){2|C<4>,3|C<3>,3|H<1>}	N[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[6,6]C[3x6]O)(H){2|C<4>,3|C<3>,3|H<1>}	107.6690	0.000	1	107.0530	0.759	2	107.0530	0.759	2	107.0530	0.759	2	106.9569	0.382	8	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[3x6]	N[6,6]	N[6,6]	4:3:3:4:	4:3:1:	4:3:1:	C[6,6]-4:N[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[6,6]HH)(N[6,6]C[6,6]H)2(CCHH)	N[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(H)	N[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(H)	C[3x6](C[6,6]C[6,6]HH)(N[6,6]C[6,6]H)2(CCHH){1|C<4>,2|H<1>,2|O<1>}	N[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(H){1|C<4>,2|C<3>,3|H<1>}	N[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(H){1|C<4>,2|C<3>,3|H<1>}	106.6090	0.106	2	106.6090	0.011	2	106.9248	0.379	6	106.9248	0.379	6	106.9569	0.382	8	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[3x6]	N[6,6]	N[6,6]	4:3:3:4:	4:3:1:	4:3:1:	C[6,6]-4:N[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[6,6]HH)(N[6,6]C[6,6]H)2(CH3)	N[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(H)	N[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(H)	C[3x6](C[6,6]C[6,6]HH)(N[6,6]C[6,6]H)2(CH3){1|C<4>,2|H<1>,2|O<1>}	N[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(H){1|C<3>,1|C<4>,4|H<1>}	N[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(H){1|C<3>,1|C<4>,4|H<1>}	107.4590	0.000	1	107.0828	0.527	4	106.9248	0.379	6	106.9248	0.379	6	106.9569	0.382	8	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[3x6]	N[6,6]	N[6,6]	4:3:3:4:	4:3:1:	4:3:1:	C[6,6]-4:N[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[6,6]HH)(N[6,6]C[6,6]H)2(CH3)	N[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(H)	N[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(H)	C[3x6](C[6,6]C[6,6]HH)(N[6,6]C[6,6]H)2(CH3){1|C<4>,2|H<1>,2|O<1>}	N[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(H){1|C<3>,2|C<4>,3|H<1>}	N[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]O)(H){1|C<3>,2|C<4>,3|H<1>}	106.9573	0.835	3	107.0828	0.527	4	106.9248	0.379	6	106.9248	0.379	6	106.9569	0.382	8	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[4x6]	N[6,6]	N[6,6]	3:4:3:3:	4:3:1:	4:3:1:	C[6,6a]-3:C[3x6]-4:N[6,6]-3:N[6,6]-3:	C[4x6]-4:C[6,6]-3:H-1:	C[4x6]-4:C[6,6]-3:H-1:	C[4x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(N[6,6]C[6,6]H)2	N[6,6](C[4x6]C[6,6a]C[3x6]N[6,6])(C[6,6]C[3x6]O)(H)	N[6,6](C[4x6]C[6,6a]C[3x6]N[6,6])(C[6,6]C[3x6]O)(H)	C[4x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(N[6,6]C[6,6]H)2{2|C<4>,2|O<1>,3|C<3>,4|H<1>}	N[6,6](C[4x6]C[6,6a]C[3x6]N[6,6])(C[6,6]C[3x6]O)(H){2|C<4>,3|C<3>,3|H<1>}	N[6,6](C[4x6]C[6,6a]C[3x6]N[6,6])(C[6,6]C[3x6]O)(H){2|C<4>,3|C<3>,3|H<1>}	106.9995	0.218	2	106.9995	0.048	2	106.9995	0.048	2	106.9995	0.048	2	106.9995	0.048	2	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6,6]	N[6,6]	N[6,6]	3:3:1:1:	3:4:4:	3:4:4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[5a,6]-3:C[6,6]-4:C[6]-4:	C[5a,6]-3:C[6,6]-4:C[6]-4:	C[6,6](N[6,6]C[5a,6]C[6])2(H)2	N[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]N[6,6]HH)(C[6]C[5a,6]HH)	N[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]N[6,6]HH)(C[6]C[5a,6]HH)	C[6,6](N[6,6]C[5a,6]C[6])2(H)2{2|C<3>,2|N<3>,4|H<1>}	N[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]N[6,6]HH)(C[6]C[5a,6]HH){1|C<4>,1|N<2>,4|C<3>}	N[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]N[6,6]HH)(C[6]C[5a,6]HH){1|C<4>,1|N<2>,4|C<3>}	113.1930	0.000	1	113.1930	0.000	1	113.1930	0.000	1	111.9503	0.550	44	111.8972	0.665	45	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6,6]	N[6,6]	N[6,6]	3:3:1:1:	3:4:4:	3:4:4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	N[6,6](C[6,6a]C[6,6a]2)(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]2)(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){2|C<4>,4|C<3>}	112.2585	0.384	12	112.2585	0.147	12	111.9214	0.526	43	111.9503	0.550	44	111.8972	0.665	45	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6,6]	N[6,6]	N[6,6]	3:3:1:1:	3:4:4:	3:4:4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|Br<1>,1|C<4>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|Br<1>,1|C<4>,4|C<3>}	112.1997	0.151	4	111.7895	0.640	30	111.9214	0.526	43	111.9503	0.550	44	111.8972	0.665	45	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6,6]	N[6,6]	N[6,6]	3:3:1:1:	3:4:4:	3:4:4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	111.6676	0.946	19	111.7895	0.640	30	111.9214	0.526	43	111.9503	0.550	44	111.8972	0.665	45	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6,6]	N[6,6]	N[6,6]	3:3:1:1:	3:4:4:	3:4:4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|N<3>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|N<3>,4|C<3>}	111.5255	0.154	4	111.7895	0.640	30	111.9214	0.526	43	111.9503	0.550	44	111.8972	0.665	45	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6,6]	N[6,6]	N[6,6]	3:3:1:1:	3:4:4:	3:4:4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|S<3>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|S<3>,4|C<3>}	112.3980	0.279	2	111.7895	0.640	30	111.9214	0.526	43	111.9503	0.550	44	111.8972	0.665	45	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6,6]	N[6,6]	N[6,6]	3:3:1:1:	3:4:4:	3:4:4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|Se<2>,1|C<4>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|Se<2>,1|C<4>,4|C<3>}	112.3030	0.000	1	111.7895	0.640	30	111.9214	0.526	43	111.9503	0.550	44	111.8972	0.665	45	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6,6]	N[6,6]	N[6,6]	3:3:1:1:	3:4:4:	3:4:4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	N[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	N[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,5|C<3>}	N[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,5|C<3>}	111.8340	0.000	1	111.8340	0.000	1	111.9214	0.526	43	111.9503	0.550	44	111.8972	0.665	45	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6,6]	N[6,6]	N[6,6]	3:3:4:1:	4:3:3:	4:4:3:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6,6](N[6,6]C[6,6]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]N[6])(C[6]C[3x6]O)	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6a]C[6a]2)	C[6,6](N[6,6]C[6,6]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|N<2>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]N[6])(C[6]C[3x6]O){2|C<2>,2|C<3>,2|H<1>,4|C<4>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6a]C[6a]2){1|C<4>,4|C<3>,6|H<1>}	109.5610	0.000	1	109.5610	0.000	1	109.5610	0.000	1	109.5610	0.000	1	111.8972	0.665	45	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6,6]	N[6,6]	N[6]	3:3:2:1:	4:3:4:	3:4:4:	N[6]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:C-4:	C[6,6](N[6]C[6,6a]C)(N[6,6]C[6]2)(O[6]C[5,6])(H)	N[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]O[6]H)(CH3)	C[6,6](N[6]C[6,6a]C)(N[6,6]C[6]2)(O[6]C[5,6])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]O[6]H)(CH3){1|H<1>,2|C<4>,3|C<3>}	113.5150	0.000	1	113.5150	0.000	1	113.5150	0.000	1	113.5150	0.000	1	110.0326	4.283	8	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6,6]	N[6,6]	N[6]	3:3:3:1:	3:4:3:	4:3:1:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[3]N[6])	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[3]N[6]){2|C<4>,3|H<1>,5|C<3>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]O)(H){5|C<3>}	109.0610	0.000	1	109.0610	0.000	1	109.0610	0.000	1	109.0610	0.000	1	110.0326	4.283	8	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6,6]	N[6,6]	N[6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-3:N-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]N)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6])	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]O)(NC[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]N)(H){1|H<1>,1|O<1>,6|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6]){1|H<1>,1|I<1>,1|N<3>,7|C<3>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]O)(NC[6a]H){5|C<3>}	107.3870	0.000	1	107.3870	0.000	1	107.3870	0.000	1	107.3870	0.000	1	110.0326	4.283	8	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6,6]	N[6,6]	N[6]	3:3:3:1:	3:4:4:	4:3:1:	C[5a,6]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6a]C[6])(N[6]C[6]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]N[6]H)(C[6]C[6]HH)	N[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6,6a]O)(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6a]C[6])(N[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]N[6]H)(C[6]C[6]HH){1|N<3>,4|C<3>,4|H<1>}	N[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6,6a]O)(H){1|C<4>,1|N<3>,3|C<3>}	111.9870	0.000	1	111.9870	0.000	1	111.9870	0.000	1	111.9870	0.000	1	110.0326	4.283	8	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6,6]	N[6,6]	N[6]	3:3:3:1:	3:4:4:	4:3:4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-3:C-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]O)(CC[6a]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH){1|C<4>,3|H<1>,5|C<3>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]O)(CC[6a]HH){1|C<4>,4|C<3>}	110.5705	0.373	2	110.5705	0.139	2	110.5705	0.139	2	110.5705	0.139	2	110.0326	4.283	8	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6,6]	N[6,6]	N[6]	3:3:3:1:	4:3:3:	4:3:1:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6])(C[6]C[6]H)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6]H)(H){1|O<1>,2|H<1>,5|C<3>}	N[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6])(C[6]C[6]H){3|H<1>,5|C<3>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(H){1|H<1>,4|C<3>}	109.3540	0.000	1	109.3540	0.000	1	109.3540	0.000	1	109.3540	0.000	1	110.0326	4.283	8	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6,6]	N[6,6]	N[6]	4:3:3:1:	4:4:3:	4:3:3:	C[6]-4:N[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-3:C-3:	C[6,6](C[6]C[6a]2C[6])(N[6,6]C[6]2)(N[6]C[6]C)(H)	N[6,6](C[6,6]C[6]N[6]H)(C[6]N[6]HH)(C[6]N[6]O)	N[6](C[6,6]N[6,6]C[6]H)(C[6]N[6]O)(CCH)	C[6,6](C[6]C[6a]2C[6])(N[6,6]C[6]2)(N[6]C[6]C)(H){2|N<3>,2|O<1>,4|C<3>,4|H<1>}	N[6,6](C[6,6]C[6]N[6]H)(C[6]N[6]HH)(C[6]N[6]O){3|C<4>,4|C<3>}	N[6](C[6,6]N[6,6]C[6]H)(C[6]N[6]O)(CCH){3|C<3>,3|C<4>}	107.8160	0.000	1	107.8160	0.000	1	107.8160	0.000	1	107.8160	0.000	1	110.0326	4.283	8	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6,6]	N[6]	N[6,6]	3:3:3:1:	4:3:2:	4:4:1:	N[6,6]-3:N[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6a]-3:N[6]-2:	C[6,6]-4:C[6,6]-4:H-1:	C[6,6](N[6,6]C[6,6]H)(N[6]C[6a]N[6])(C[6]N[6]C)(H)	N[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6])	N[6,6](C[6,6]C[6]N[6]H)2(H)	C[6,6](N[6,6]C[6,6]H)(N[6]C[6a]N[6])(C[6]N[6]C)(H){1|H<1>,1|N<3>,3|C<3>}	N[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	N[6,6](C[6,6]C[6]N[6]H)2(H){2|N<2>,4|C<3>}	108.2620	2.352	6	108.2620	5.532	6	108.2620	5.532	6	108.2620	5.532	6	108.2620	5.532	6	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6,6]	N[6]	N[6]	3:3:3:3:	3:4:4:	4:3:1:	N[6]-3:C[6]-3:N[6]-3:N[6]-3:	C[6,6a]-3:C[6,6]-4:C[3]-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](N[6]C[6,6a]C[3])(C[6]C[6]O)(N[6]C[6]H)2	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6]2)(C[3]C[3]2H)	N[6](C[6,6]C[6]N[6]2)(C[6]C[6,6a]O)(H)	C[6,6](N[6]C[6,6a]C[3])(C[6]C[6]O)(N[6]C[6]H)2{1|H<1>,1|N<2>,2|C<3>,2|O<1>,3|C<4>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6]2)(C[3]C[3]2H){1|O<1>,5|C<3>,6|H<1>}	N[6](C[6,6]C[6]N[6]2)(C[6]C[6,6a]O)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	110.2470	0.000	1	110.2470	0.000	1	110.2470	0.000	1	110.2470	0.000	1	108.5343	3.256	7	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6,6]	N[6]	N[6]	3:3:3:3:	4:3:3:	4:3:3:	N[6]-3:N[6]-3:C[6]-3:C[6]-3:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6,6](N[6]C[6a]C[6])2(C[6]C[6,6a]O)2	N[6](C[6,6]C[6]2N[6])(C[6a]C[6a]2)(C[6]C[6]O)	N[6](C[6,6]C[6]2N[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6,6](N[6]C[6a]C[6])2(C[6]C[6,6a]O)2{1|C<4>,2|O<1>,7|C<3>}	N[6](C[6,6]C[6]2N[6])(C[6a]C[6a]2)(C[6]C[6]O){2|O<1>,4|C<4>,6|C<3>}	N[6](C[6,6]C[6]2N[6])(C[6a]C[6a]2)(C[6]C[6]O){2|O<1>,4|C<4>,6|C<3>}	110.3690	0.000	1	110.3690	0.000	1	110.3690	0.000	1	110.3690	0.000	1	108.5343	3.256	7	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6,6]	N[6]	N[6]	3:4:4:3:	3:4:1:	4:3:1:	N[6]-3:C[6]-4:C[6]-4:N[6]-3:	C[5,6]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](N[6]C[5,6]H)(C[6]C[6]HH)2(N[6]C[6]H)	N[6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2N[6])(H)	N[6](C[6,6]C[6]2N[6])(C[6]C[5,6]O)(H)	C[6,6](N[6]C[5,6]H)(C[6]C[6]HH)2(N[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N[6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2N[6])(H){1|C<3>,4|C<4>,7|H<1>}	N[6](C[6,6]C[6]2N[6])(C[6]C[5,6]O)(H){1|C<3>,3|C<4>,5|H<1>}	106.9710	0.000	1	106.9710	0.000	1	106.9710	0.000	1	108.0337	3.282	4	108.5343	3.256	7	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6,6]	N[6]	N[6]	3:4:4:3:	3:4:1:	4:3:1:	N[6]-3:C[6]-4:C[6]-4:N[6]-3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](N[6]C[6,6a]H)(C[6]C[6]HH)2(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)	N[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]O)(H)	C[6,6](N[6]C[6,6a]H)(C[6]C[6]HH)2(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H){1|C<2>,2|C<4>,3|C<3>,5|H<1>}	N[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]O)(H){2|C<3>,2|C<4>,5|H<1>}	106.0300	0.000	1	106.0300	0.000	1	108.3880	4.170	3	108.0337	3.282	4	108.5343	3.256	7	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6,6]	N[6]	N[6]	3:4:4:3:	3:4:1:	4:3:1:	N[6]-3:C[6]-4:C[6]-4:N[6]-3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](N[6]C[6,6a]H)(C[6]C[6]HH)2(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]2N[6])(H)	N[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]O)(H)	C[6,6](N[6]C[6,6a]H)(C[6]C[6]HH)2(N[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,4|H<1>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]2N[6])(H){2|C<4>,3|C<3>,5|H<1>}	N[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]O)(H){2|C<3>,2|C<4>,5|H<1>}	109.5670	0.000	2	109.5670	0.000	2	108.3880	4.170	3	108.0337	3.282	4	108.5343	3.256	7	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6,6]	N[6]	N[6]	4:4:3:3:	4:4:3:	4:3:1:	C[6]-4:C[6]-4:N[6]-3:N[6]-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6]C[6]HH)2(N[6]C[6]2)(N[6]C[6]H)	N[6](C[6,6]C[6]2N[6])(C[6]C[6]2H)(C[6]C[6]H)	N[6](C[6,6]C[6]2N[6])(C[6]C[6]N)(H)	C[6,6](C[6]C[6]HH)2(N[6]C[6]2)(N[6]C[6]H){1|C<3>,1|N<2>,3|C<4>,6|H<1>}	N[6](C[6,6]C[6]2N[6])(C[6]C[6]2H)(C[6]C[6]H){2|C<3>,4|C<4>,9|H<1>}	N[6](C[6,6]C[6]2N[6])(C[6]C[6]N)(H){2|C<3>,3|C<4>,4|H<1>}	106.9890	0.000	1	106.9890	0.000	1	106.9890	0.000	1	106.9890	0.000	1	108.5343	3.256	7	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6,6]	N[6,6]	3:3:1:1:	3:4:3:	3:4:3:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](N[6,6]C[6,6]C[6])2(H)2	N[6,6](C[6,6]C[6]N[6])(C[6]N[6,6]HH)(C[6]C[6]H)	N[6,6](C[6,6]C[6]N[6])(C[6]N[6,6]HH)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])2(H)2{1|N<2>,2|H<1>,4|C<3>}	N[6,6](C[6,6]C[6]N[6])(C[6]N[6,6]HH)(C[6]C[6]H){2|H<1>,3|C<3>}	N[6,6](C[6,6]C[6]N[6])(C[6]N[6,6]HH)(C[6]C[6]H){2|H<1>,3|C<3>}	108.9650	0.000	1	108.9650	0.000	1	108.9650	0.000	1	108.9650	0.000	1	108.9650	0.000	1	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6,6]	N[6]	3:3:1:1:	4:4:3:	4:3:4:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:C-4:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	N[6,6](C[6,6]C[6]N[6]H)(C[6]N[6]HH)(C[6]N[6]O)	N[6](C[6]N[6,6]HH)(C[6]N[6]O)(CH3)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|N<3>,2|O<1>}	N[6,6](C[6,6]C[6]N[6]H)(C[6]N[6]HH)(C[6]N[6]O){3|C<4>,4|C<3>}	N[6](C[6]N[6,6]HH)(C[6]N[6]O)(CH3){1|C<4>,2|C<3>}	108.8970	0.000	1	108.8970	0.000	1	108.8970	0.000	1	108.8970	0.000	1	108.8970	0.000	1	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6,6]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:	C[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(H)2	N[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]N[6]HH)	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)	C[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(H)2{2|H<1>,6|C<3>}	N[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]N[6]HH){2|C<4>,2|H<1>,5|C<3>}	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH){1|C<4>,2|H<1>,4|C<3>}	111.2180	0.000	1	111.2180	0.000	1	111.2180	0.000	1	111.2180	0.000	1	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:1:1:	3:4:1:	4:3:3:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:N[6]-3:C-3:	C[6](N[6]C[6]O)(N[6]N[6]C)(H)2	N[6](C[6]C[6a]C[6])(C[6]N[6]HH)(O)	N[6](C[6]N[6]HH)(N[6]C[6]C)(COO)	C[6](N[6]C[6]O)(N[6]N[6]C)(H)2{3|C<3>}	N[6](C[6]C[6a]C[6])(C[6]N[6]HH)(O){1|N<3>,4|C<3>}	N[6](C[6]N[6]HH)(N[6]C[6]C)(COO){1|O<1>,2|C<3>}	112.1240	0.000	1	112.1240	0.000	1	112.1240	0.000	1	112.1240	0.000	1	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:1:1:	3:4:2:	3:4:2:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6a]-3:C[6]-4:N[6]-2:	C[6](N[6]C[6a]N[6])2(H)2	N[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6])	N[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6])	C[6](N[6]C[6a]N[6])2(H)2{5|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	105.5520	0.000	2	105.5520	0.000	2	105.5520	0.000	2	105.5520	0.000	2	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:1:1:	3:4:3:	3:4:2:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:	C[6a]-3:C[6]-4:N[6]-2:	C[6](N[6]C[6a]N[6])2(H)2	N[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]Pd)	N[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6])	C[6](N[6]C[6a]N[6])2(H)2{1|Pd<4>,5|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]Pd){1|N<2>,2|H<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]){1|N<3>,2|H<1>,4|C<3>}	107.6090	0.000	1	107.6090	0.000	1	107.6090	0.000	1	107.6090	0.000	1	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:1:1:	3:4:4:	3:4:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6]-3:C[6]-4:C-4:	C[6](N[6]C[6,6]C)(N[6]C[6]C)(H)2	N[6](C[6,6]C[6,6]O[6])(C[6]N[6]HH)(CH3)	N[6](C[6]C[6,6]O)(C[6]N[6]HH)(CH3)	C[6](N[6]C[6,6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>}	N[6](C[6,6]C[6,6]O[6])(C[6]N[6]HH)(CH3){1|C<3>,3|C<4>}	N[6](C[6]C[6,6]O)(C[6]N[6]HH)(CH3){1|C<3>,2|C<4>}	110.9470	0.000	1	110.9470	0.000	1	110.9470	0.000	1	111.8049	0.168	8	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:1:1:	3:4:4:	3:4:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6]-4:C-4:	C[6](N[6]C[6,6a]C)2(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP)	C[6](N[6]C[6,6a]C)2(H)2{3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP){1|C<4>,1|H<1>,3|C<3>}	111.7700	0.031	2	111.7700	0.001	2	111.7700	0.001	2	111.8049	0.168	8	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:1:1:	3:4:4:	3:4:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:	C[6](N[6]C[6a]C[6])2(H)2	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	C[6](N[6]C[6a]C[6])2(H)2{1|N<3>,4|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|C<4>,2|H<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|C<4>,2|H<1>,4|C<3>}	111.9365	0.117	2	111.9904	0.067	5	111.9904	0.067	5	111.8049	0.168	8	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:1:1:	3:4:4:	3:4:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:	C[6](N[6]C[6a]C[6])2(H)2	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	C[6](N[6]C[6a]C[6])2(H)2{1|N<3>,4|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|F<1>,1|H<1>,2|C<4>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|F<1>,1|H<1>,2|C<4>,3|C<3>}	111.8040	0.000	1	111.9904	0.067	5	111.9904	0.067	5	111.8049	0.168	8	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:1:1:	3:4:4:	3:4:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:	C[6](N[6]C[6a]C[6])2(H)2	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	C[6](N[6]C[6a]C[6])2(H)2{1|N<3>,4|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{2|C<4>,2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{2|C<4>,2|H<1>,3|C<3>}	112.1375	0.412	2	111.9904	0.067	5	111.9904	0.067	5	111.8049	0.168	8	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:1:1:	3:4:4:	4:3:1:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(H)2	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	N[6](C[6]N[6]HH)(C[6]N[6]S)(H)	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(H)2{1|N<3>,1|S<1>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|C<4>,3|C<3>,3|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]S)(H){1|C<3>,2|C<4>}	108.9590	0.000	1	108.9590	0.000	1	108.9590	0.000	1	108.9590	0.000	1	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:1:1:	4:3:1:	4:3:1:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](N[6]C[6]H)2(H)2	N[6](C[6]N[6]HH)(C[6]N[6]C)(H)	N[6](C[6]N[6]HH)(C[6]N[6]C)(H)	C[6](N[6]C[6]H)2(H)2{1|N<3>,2|C<3>}	N[6](C[6]N[6]HH)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	107.7880	0.000	1	107.7880	0.000	1	107.7880	0.000	1	107.7880	0.000	1	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:1:1:	4:3:3:	4:3:3:	N[6]-3:N[6]-3:Cl-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])2(Cl)(H)	N[6](C[6]N[6]ClH)(C[6a]C[6a]2)(C[6]C[6]O)	N[6](C[6]N[6]ClH)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])2(Cl)(H){1|C<4>,2|O<1>,4|C<3>}	N[6](C[6]N[6]ClH)(C[6a]C[6a]2)(C[6]C[6]O){4|C<3>,4|C<4>}	N[6](C[6]N[6]ClH)(C[6a]C[6a]2)(C[6]C[6]O){4|C<3>,4|C<4>}	115.5310	0.000	1	115.5310	0.000	1	115.5310	0.000	1	115.5310	0.000	1	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:1:1:	4:3:4:	3:4:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-4:C[6]-4:	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2	N[6](C[6]N[6]HH)(C[6]N[6]S)(CHHN)	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|S<1>,2|C<3>,2|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]S)(CHHN){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|C<4>,3|C<3>,3|H<1>}	113.0160	0.000	1	113.0160	0.000	1	113.0160	0.000	1	113.0160	0.000	1	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:1:1:	4:3:4:	4:3:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:B[6]-3:C-4:	C[6]-4:C[6]-3:C-4:	C[6](N[6]B[6]C)(N[6]C[6]C)(H)2	N[6](C[6]N[6]HH)(B[6]N[6]H)(CCCH)	N[6](C[6]N[6]HH)(C[6]N[6]N)(CCCH)	C[6](N[6]B[6]C)(N[6]C[6]C)(H)2{1|H<1>,2|N<3>}	N[6](C[6]N[6]HH)(B[6]N[6]H)(CCCH){1|C<3>,2|C<4>}	N[6](C[6]N[6]HH)(C[6]N[6]N)(CCCH){1|B<3>,2|C<4>}	109.9920	0.000	1	109.9920	0.000	1	109.9920	0.000	1	108.9955	1.986	2	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:1:1:	4:3:4:	4:3:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)(C[6]N[6]Rh)(CC[6a]HH)	N[6](C[6]N[6]HH)(C[6]N[6]O)(CH3)	C[6](N[6]C[6]C)2(H)2{1|Rh<6>,1|N<3>,1|O<1>}	N[6](C[6]N[6]HH)(C[6]N[6]Rh)(CC[6a]HH){1|C<3>,2|C<4>}	N[6](C[6]N[6]HH)(C[6]N[6]O)(CH3){1|C<3>,2|C<4>}	107.9990	0.000	1	107.9990	0.000	1	107.9990	0.000	1	108.9955	1.986	2	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:1:1:	4:4:3:	4:4:3:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-4:C-3:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CCO)	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CCO)	C[6](N[6]C[6]C)2(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CCO){1|C<3>,1|C<4>,2|O<2>}	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CCO){1|C<3>,1|C<4>,2|O<2>}	110.2680	0.000	1	110.2680	0.000	1	110.2680	0.000	1	110.4300	0.052	2	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:1:1:	4:4:3:	4:4:3:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:C[6]-4:C-3:	C[6](N[6]C[6]C)(N[6]C[6]N)(H)2	N[6](C[6]N[6]HH)2(NOO)	N[6](C[6]N[6]HH)2(CCO)	C[6](N[6]C[6]C)(N[6]C[6]N)(H)2{1|N<3>,4|H<1>}	N[6](C[6]N[6]HH)2(NOO){1|C<3>,1|C<4>,1|N<3>}	N[6](C[6]N[6]HH)2(CCO){1|C<4>,2|N<3>}	110.5920	0.000	1	110.5920	0.000	1	110.5920	0.000	1	110.4300	0.052	2	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:1:1:	4:4:4:	3:4:4:	N[6]-3:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[6]-4:S-4:	C[6](N[6]C[6,6a]S)(N[6]C[5,6]C)(H)2	N[6](C[5,6]C[6,6a]C[5]2)(C[6]N[6]HH)(CCHH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(SC[6a]OO)	C[6](N[6]C[6,6a]S)(N[6]C[5,6]C)(H)2{1|C<4>,3|C<3>}	N[6](C[5,6]C[6,6a]C[5]2)(C[6]N[6]HH)(CCHH){1|C<4>,1|N<2>,1|S<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(SC[6a]OO){1|H<1>,2|C<3>,2|C<4>}	111.0230	0.000	1	111.0230	0.000	1	111.0230	0.000	1	111.0230	0.000	1	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:2:	3:4:3:	3:4:3:	N[6]-3:N[6]-3:S-2:S-2:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:C[6]-3:	C[6](N[6]C[6a]C[6])2(SC)2	N[6](C[6a]C[6a]2)(C[6]N[6]SS)(C[6]C[6]O)	N[6](C[6a]C[6a]2)(C[6]N[6]SS)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])2(SC)2{1|C<4>,2|O<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]SS)(C[6]C[6]O){4|C<3>,4|C<4>}	N[6](C[6a]C[6a]2)(C[6]N[6]SS)(C[6]C[6]O){4|C<3>,4|C<4>}	109.1950	0.000	1	109.1950	0.000	1	109.1950	0.000	1	109.1950	0.000	1	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:3:1:	3:3:4:	3:4:4:	N[6]-3:N[6]-3:C-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]C)(CCH)(H)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]CH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CC[6a]HH)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]C)(CCH)(H){1|O<1>,4|C<3>}	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]CH){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CC[6a]HH){1|H<1>,4|C<3>}	108.9980	0.000	1	108.9980	0.000	1	108.9980	0.000	1	108.9980	0.000	1	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:3:1:	3:4:1:	3:4:1:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(N[6]C[6]H)(H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6a]N[6]H)(H)	N[6](C[6]C[6,6]C[6a])(C[6]C[6a]N[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(N[6]C[6]H)(H){1|H<1>,1|O<2>,5|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6a]N[6]H)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[6](C[6]C[6,6]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,1|N<3>,5|C<3>}	106.4100	0.000	1	106.4100	0.000	1	106.4100	0.000	1	106.4100	0.000	1	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:3:1:	3:4:1:	4:3:1:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|O<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){2|H<1>,5|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H){1|H<1>,4|C<3>}	108.1700	0.000	1	108.1096	0.261	8	108.1096	0.261	8	108.2822	0.497	9	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:3:1:	3:4:1:	4:3:1:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){2|H<1>,5|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H){1|H<1>,4|C<3>}	107.7415	0.247	2	108.1096	0.261	8	108.1096	0.261	8	108.2822	0.497	9	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:3:1:	3:4:1:	4:3:1:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){2|H<1>,5|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H){1|H<1>,4|C<3>}	108.0580	0.696	3	108.1096	0.261	8	108.1096	0.261	8	108.2822	0.497	9	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:3:1:	3:4:1:	4:3:1:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){2|H<1>,5|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H){1|H<1>,4|C<3>}	108.5250	0.413	2	108.1096	0.261	8	108.1096	0.261	8	108.2822	0.497	9	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:3:1:	3:4:1:	4:3:1:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:O-1:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]C)(O)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,1|O<1>,5|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]C)(O){1|H<1>,4|C<3>}	109.6630	0.000	1	109.6630	0.000	1	109.6630	0.000	1	108.2822	0.497	9	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:3:1:	3:4:1:	4:3:2:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:N-2:	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]C[6]N)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(NC)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]C[6]N)(H){1|H<1>,1|O<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,2|N<2>,4|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(NC){1|H<1>,1|N<2>,3|C<3>}	107.0350	0.000	1	107.0350	0.000	1	107.0350	0.000	1	107.0350	0.000	1	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:3:1:	3:4:1:	4:3:3:	C[5]-3:N[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:N-3:	C[6](C[5]C[5]N[5])(N[6]C[6,6a]H)(N[6]C[6]N)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]N[6]H)(H)	N[6](C[6]C[5]N[6]H)(C[6]C[6,6a]O)(NFeC)	C[6](C[5]C[5]N[5])(N[6]C[6,6a]H)(N[6]C[6]N)(H){1|Fe<6>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]N[6]H)(H){1|H<1>,2|N<3>,4|C<3>}	N[6](C[6]C[5]N[6]H)(C[6]C[6,6a]O)(NFeC){1|H<1>,1|N<3>,3|C<3>}	108.7690	0.000	1	108.7690	0.000	1	108.7690	0.000	1	108.7690	0.000	1	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:3:1:	3:4:3:	3:4:1:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[5a]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[5a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[5a]N[5a]S[5a])(C[6]C[6a]N[6]H)(C[6]C[6,6a]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6](N[6]C[5a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,1|S<2>,4|C<3>}	N[6](C[5a]N[5a]S[5a])(C[6]C[6a]N[6]H)(C[6]C[6,6a]O){1|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,6|C<3>}	107.4940	0.000	1	107.4940	0.000	1	107.4940	0.000	1	107.4940	0.000	1	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:3:1:	3:4:3:	3:4:3:	N[6]-3:N[6]-3:B-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:C[6]-3:	C[6](N[6]C[6a]C[6])2(BCN)(H)	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O)	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])2(BCN)(H){1|C<4>,2|O<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O){4|C<3>,4|C<4>}	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O){4|C<3>,4|C<4>}	110.4160	0.000	1	110.4160	0.000	1	110.4160	0.000	1	110.8510	0.144	3	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:3:1:	3:4:3:	3:4:3:	N[6]-3:N[6]-3:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:C[6]-3:	C[6](N[6]C[6a]C[6])2(NHH)(H)	N[6](C[6a]C[6a]2)(C[6]N[6]HN)(C[6]C[6]O)	N[6](C[6a]C[6a]2)(C[6]N[6]HN)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])2(NHH)(H){1|C<4>,2|O<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]HN)(C[6]C[6]O){4|C<3>,4|C<4>}	N[6](C[6a]C[6a]2)(C[6]N[6]HN)(C[6]C[6]O){4|C<3>,4|C<4>}	111.0200	0.000	1	111.0200	0.000	1	111.0200	0.000	1	110.8510	0.144	3	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:3:1:	3:4:3:	3:4:3:	N[6]-3:N[6]-3:P-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:C[6]-3:	C[6](N[6]C[6a]C[6])2(PC[6a]2)(H)	N[6](C[6a]C[6a]2)(C[6]N[6]HP)(C[6]C[6]O)	N[6](C[6a]C[6a]2)(C[6]N[6]HP)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])2(PC[6a]2)(H){1|C<4>,2|O<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]HP)(C[6]C[6]O){4|C<3>,4|C<4>}	N[6](C[6a]C[6a]2)(C[6]N[6]HP)(C[6]C[6]O){4|C<3>,4|C<4>}	111.1170	0.000	1	111.1170	0.000	1	111.1170	0.000	1	110.8510	0.144	3	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:3:1:	3:4:3:	4:3:3:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](N[6]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(CCC)	C[6](N[6]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){3|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]2){3|H<1>,8|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(CCC){5|C<3>}	108.5160	0.000	1	108.5160	0.000	1	108.5160	0.000	1	108.5160	0.000	1	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:3:1:	3:4:4:	3:4:4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6]-4:C-4:	C[6](N[6]C[6,6a]C)2(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5]HH)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5]HH)	C[6](N[6]C[6,6a]C)2(C[6a]C[6a]2)(H){2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5]HH){1|C<4>,1|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5]HH){1|C<4>,1|H<1>,5|C<3>}	108.0160	0.000	1	108.0160	0.000	1	108.0160	0.000	1	108.0160	0.000	1	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:3:1:	3:4:4:	4:3:1:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH){2|H<1>,5|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H){1|C<4>,4|C<3>}	106.9470	0.000	1	106.9470	0.000	1	106.9470	0.000	1	107.9145	1.872	2	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:3:1:	3:4:4:	4:3:1:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:O-1:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CH3)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]C)(O)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]O)(H){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CH3){1|H<1>,1|O<1>,5|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]C)(O){1|C<4>,4|C<3>}	108.8820	0.000	1	108.8820	0.000	1	108.8820	0.000	1	107.9145	1.872	2	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:3:1:	4:3:1:	4:3:1:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(N[6]C[6]H)2(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)2(H){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H){2|H<1>,3|C<3>}	107.5100	0.000	1	107.5100	0.000	1	107.5100	0.000	1	107.5100	0.000	1	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:3:1:	4:3:1:	4:4:3:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(CCO)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(CCO){3|C<3>,3|H<1>}	108.3700	0.000	1	108.3700	0.000	1	108.3700	0.000	1	108.3700	0.000	1	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:3:1:	4:3:3:	3:4:1:	C[5a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[5a]C[5a]O[5a])(N[6]C[6a]C[6])(N[6]C[6,6a]H)(H)	N[6](C[6]C[5a]N[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(H)	C[6](C[5a]C[5a]O[5a])(N[6]C[6a]C[6])(N[6]C[6,6a]H)(H){1|H<1>,1|O<1>,6|C<3>}	N[6](C[6]C[5a]N[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2){1|O<2>,3|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(H){1|H<1>,1|O<2>,5|C<3>}	109.5790	0.000	1	109.5790	0.000	1	109.5790	0.000	1	108.7368	3.098	5	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:3:1:	4:3:3:	3:4:1:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[5a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[5a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(C[5a]N[5a]2)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6](N[6]C[5a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(C[5a]N[5a]2){2|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,6|C<3>}	111.4360	0.000	1	111.4360	0.000	1	111.4360	0.000	1	108.7368	3.098	5	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:3:1:	4:3:3:	3:4:1:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(C[6a]C[6a]2)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,6|C<3>}	107.8130	0.000	1	107.8130	0.000	1	107.5563	0.109	3	108.7368	3.098	5	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:3:1:	4:3:3:	3:4:1:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]Pd)(C[6a]C[6a]2)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|Pd<4>,2|H<1>,6|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]Pd)(C[6a]C[6a]2){1|H<1>,2|C<4>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,6|C<3>}	107.4280	0.345	2	107.4280	0.119	2	107.5563	0.109	3	108.7368	3.098	5	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:3:1:	4:3:3:	4:3:1:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(CC[6a]O)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H){1|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(CC[6a]O){2|H<1>,3|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H){1|H<1>,4|C<3>}	107.8120	0.066	2	107.8120	0.004	2	107.8120	0.004	2	107.8120	0.004	2	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:3:1:	4:3:3:	4:3:3:	B[6,6]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6]-3:	C[6](B[6,6]C[6,6]2)(N[6]C[6a]C[6])2(H)	N[6](C[6]B[6,6]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	N[6](C[6]B[6,6]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](B[6,6]C[6,6]2)(N[6]C[6a]C[6])2(H){2|H<1>,2|O<1>,4|C<3>,5|C<4>}	N[6](C[6]B[6,6]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O){4|C<3>,6|C<4>}	N[6](C[6]B[6,6]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O){4|C<3>,6|C<4>}	108.0970	0.000	1	108.0970	0.000	1	108.0970	0.000	1	108.8955	1.275	2	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:3:1:	4:3:3:	4:3:3:	N[6]-3:N[6]-3:B[5]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])2(B[5]O[5]2)(H)	N[6](C[6]B[5]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	N[6](C[6]B[5]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])2(B[5]O[5]2)(H){2|O<1>,3|C<4>,4|C<3>}	N[6](C[6]B[5]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O){2|O<2>,4|C<3>,4|C<4>}	N[6](C[6]B[5]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O){2|O<2>,4|C<3>,4|C<4>}	109.6940	0.000	1	109.6940	0.000	1	109.6940	0.000	1	108.8955	1.275	2	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:3:1:	4:3:3:	4:3:4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6]-4:	C[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H)	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C)	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H){4|H<1>,8|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,2|H<1>,6|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|H<1>,7|C<3>}	110.1953	0.299	6	110.1953	0.089	6	110.1953	0.089	6	110.1953	0.089	6	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:3:1:	4:3:3:	4:4:3:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:C[6]-4:C[6a]-3:	C[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H)	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)	C[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,7|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,9|C<3>}	109.6430	0.000	1	109.6430	0.000	1	109.6430	0.000	1	109.6430	0.000	1	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:3:3:	3:4:3:	3:4:3:	N[6]-3:N[6]-3:C-3:C-3:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:C[6]-3:	C[6](N[6]C[6a]C[6])2(CCH)2	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6]O)	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])2(CCH)2{1|C<4>,2|O<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6]O){4|C<3>,4|C<4>}	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6]O){4|C<3>,4|C<4>}	107.7820	0.000	1	107.7820	0.000	1	107.7820	0.000	1	107.7820	0.000	1	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:3:3:	4:3:3:	4:3:3:	N[6]-3:N[6]-3:B[5]-3:B[5]-3:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])2(B[5]O[5]2)2	N[6](C[6]B[5]2N[6])(C[6a]C[6a]2)(C[6]C[6]O)	N[6](C[6]B[5]2N[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])2(B[5]O[5]2)2{2|O<1>,4|C<3>,5|C<4>}	N[6](C[6]B[5]2N[6])(C[6a]C[6a]2)(C[6]C[6]O){4|C<3>,4|C<4>,4|O<2>}	N[6](C[6]B[5]2N[6])(C[6a]C[6a]2)(C[6]C[6]O){4|C<3>,4|C<4>,4|O<2>}	108.6680	0.000	1	108.6680	0.000	1	108.6680	0.000	1	108.6680	0.000	1	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:3:4:	3:4:1:	4:3:1:	N[6]-3:C[6a]-3:N[6]-3:C-4:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]C)(H)	N[6](C[6]C[6a]N[6]C)(C[6]C[6,6a]O)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(CH3){1|O<1>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]C)(H){2|H<1>,5|C<3>}	N[6](C[6]C[6a]N[6]C)(C[6]C[6,6a]O)(H){1|H<1>,4|C<3>}	107.3780	0.000	1	107.3780	0.000	1	107.3780	0.000	1	107.3780	0.000	1	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:3:4:	4:4:1:	4:4:1:	C[6a]-3:N[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6a]C[6a]2)(N[6]C[6]H)2(CF3)	N[6](C[6]C[6a]N[6]C)(C[6]C[6]HH)(H)	N[6](C[6]C[6a]N[6]C)(C[6]C[6]HH)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)2(CF3){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	N[6](C[6]C[6a]N[6]C)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6a]N[6]C)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	110.2440	0.000	1	110.2440	0.000	1	110.2440	0.000	1	110.2440	0.000	1	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:4:1:	3:3:4:	4:3:4:	N[6]-3:N[6]-3:C-4:H-1:	C[6,6]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:	C[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]N[6]CH)	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]CH)	C[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]N[6]CH){2|C<4>,4|C<3>,4|H<1>}	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]CH){2|H<1>,5|C<3>}	109.9100	0.000	1	109.9100	0.000	1	109.9100	0.000	1	109.9100	0.000	1	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:4:1:	3:4:3:	3:4:3:	N[6]-3:N[6]-3:B-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:C[6]-3:	C[6](N[6]C[6a]C[6])2(BHHN)(H)	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O)	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])2(BHHN)(H){1|C<4>,2|O<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O){4|C<3>,4|C<4>}	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O){4|C<3>,4|C<4>}	109.0580	0.000	1	109.0580	0.000	1	107.8583	1.085	3	107.8583	1.085	3	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:4:1:	3:4:3:	3:4:3:	N[6]-3:N[6]-3:B-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:C[6]-3:	C[6](N[6]C[6a]C[6])2(BHHS)(H)	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O)	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])2(BHHS)(H){1|C<4>,2|O<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O){4|C<3>,4|C<4>}	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O){4|C<3>,4|C<4>}	107.1850	0.000	1	107.1850	0.000	1	107.8583	1.085	3	107.8583	1.085	3	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:4:1:	3:4:3:	3:4:3:	N[6]-3:N[6]-3:B-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:C[6]-3:	C[6](N[6]C[6a]C[6])2(BN[6]HH)(H)	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O)	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O)	C[6](N[6]C[6a]C[6])2(BN[6]HH)(H){1|C<4>,2|O<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O){4|C<3>,4|C<4>}	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O){4|C<3>,4|C<4>}	107.3320	0.000	1	107.3320	0.000	1	107.8583	1.085	3	107.8583	1.085	3	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:4:1:	3:4:4:	3:4:1:	N[6]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(CCCF)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CH3)	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(H)	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(CCCF)(H){1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CH3){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(H){1|C<4>,2|C<3>}	109.6880	0.000	1	109.6880	0.000	1	109.6880	0.000	1	108.5485	2.597	2	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:4:1:	3:4:4:	3:4:1:	N[6]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6,6a]C)(C[6]C[6]2H)(C[6]N[6]CH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]2)(CH3)(H){1|H<1>,2|C<3>,3|C<4>}	N[6](C[6]C[6,6a]C)(C[6]C[6]2H)(C[6]N[6]CH){2|C<3>,2|C<4>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H){1|C<4>,1|H<1>,3|C<3>}	107.4090	0.000	1	107.4090	0.000	1	107.4090	0.000	1	108.5485	2.597	2	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:4:1:	4:3:3:	4:3:1:	N[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6](N[6]C[6]C)(N[6]C[6]H)(CCCH)(H)	N[6](C[6]N[6]CH)(C[6]C[6]H)(CC[6a]O)	N[6](C[6]N[6]CH)(C[6]C[6]O)(H)	C[6](N[6]C[6]C)(N[6]C[6]H)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]N[6]CH)(C[6]C[6]H)(CC[6a]O){1|Br<1>,1|C<3>,1|H<1>}	N[6](C[6]N[6]CH)(C[6]C[6]O)(H){1|Br<1>,2|C<3>}	107.2280	0.000	1	108.0675	0.618	4	108.0675	0.618	4	108.0675	0.618	4	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:4:1:	4:3:3:	4:3:1:	N[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6](N[6]C[6]C)(N[6]C[6]H)(CCCH)(H)	N[6](C[6]N[6]CH)(C[6]C[6]H)(CC[6a]O)	N[6](C[6]N[6]CH)(C[6]C[6]O)(H)	C[6](N[6]C[6]C)(N[6]C[6]H)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]N[6]CH)(C[6]C[6]H)(CC[6a]O){1|C<2>,1|C<3>,1|H<1>}	N[6](C[6]N[6]CH)(C[6]C[6]O)(H){1|C<2>,2|C<3>}	108.3473	0.677	3	108.0675	0.618	4	108.0675	0.618	4	108.0675	0.618	4	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:4:4:	3:3:4:	3:4:1:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(CCHH)(CH3)	N[6](C[6]C[6,6a]Pd)(C[6a]C[6a]2)(C[6]N[6]CC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(CCHH)(CH3){1|Pd<4>,4|C<3>}	N[6](C[6]C[6,6a]Pd)(C[6a]C[6a]2)(C[6]N[6]CC){1|H<1>,2|C<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){1|H<1>,4|C<3>}	105.1110	0.000	1	105.1110	0.000	1	105.9490	1.870	3	105.9490	1.870	3	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:4:4:	3:3:4:	3:4:1:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(CH3)2	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]CC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(CH3)2{1|O<1>,4|C<3>}	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]CC){3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){1|H<1>,4|C<3>}	107.5270	0.000	1	107.5270	0.000	1	105.9490	1.870	3	105.9490	1.870	3	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:4:4:	3:3:4:	3:4:1:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(CH3)2	N[6](C[6]C[6,6a]Pd)(C[6a]C[6a]2)(C[6]N[6]CC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(CH3)2{1|Pd<4>,4|C<3>}	N[6](C[6]C[6,6a]Pd)(C[6a]C[6a]2)(C[6]N[6]CC){1|H<1>,2|C<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){1|H<1>,4|C<3>}	105.2090	0.000	1	105.2090	0.000	1	105.9490	1.870	3	105.9490	1.870	3	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:4:4:	3:4:1:	3:4:1:	N[6]-3:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(CCHH)2	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]CC)(H)	N[6](C[6]C[6,6a]O)(C[6]N[6]CC)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(CCHH)2{1|C<3>,1|N<2>,1|O<1>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]CC)(H){1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)(C[6]N[6]CC)(H){1|H<1>,2|C<3>}	107.1450	0.000	2	107.1450	0.000	2	106.9507	0.113	3	106.9507	0.113	3	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:4:4:	3:4:1:	3:4:1:	N[6]-3:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(CH3)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	N[6](C[6]C[6,6a]O)(C[6]N[6]CC)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(CH3)2{1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)(C[6]N[6]CC)(H){1|H<1>,2|C<3>}	106.5620	0.000	1	106.5620	0.000	1	106.9507	0.113	3	106.9507	0.113	3	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:4:4:	3:4:4:	3:4:4:	N[6]-3:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6]-4:C-4:	C[6](N[6]C[6,6a]C)2(CCHH)(CH3)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3)	C[6](N[6]C[6,6a]C)2(CCHH)(CH3){3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3){1|C<4>,1|H<1>,3|C<3>}	107.1162	1.780	4	107.1162	3.170	4	108.3386	4.032	7	108.3386	4.032	7	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:4:4:	3:4:4:	3:4:4:	N[6]-3:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6]-4:C-4:	C[6](N[6]C[6,6a]C)2(CCHH)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3)	C[6](N[6]C[6,6a]C)2(CCHH)2{3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3){1|C<4>,1|H<1>,3|C<3>}	109.9683	0.607	3	109.9683	0.369	3	108.3386	4.032	7	108.3386	4.032	7	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:4:4:	4:3:1:	4:2:1:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-4:C[6]-3:O-1:	C[6]-4:N[6]-2:H-1:	C[6](N[6]C[6]O)(N[6]N[6]H)(CH3)2	N[6](C[6]N[6]CC)(C[6]C[6]H)(O)	N[6](C[6]N[6]CC)(N[6]C[6])(H)	C[6](N[6]C[6]O)(N[6]N[6]H)(CH3)2{1|C<3>,1|H<1>}	N[6](C[6]N[6]CC)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<2>}	N[6](C[6]N[6]CC)(N[6]C[6])(H){1|O<1>,2|C<3>}	104.6497	0.691	3	104.6497	0.478	3	104.6497	0.478	3	104.6497	0.478	3	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:4:4:	4:3:1:	4:3:1:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](N[6]C[6]H)2(CH3)2	N[6](C[6]N[6]CC)(C[6]N[6]N)(H)	N[6](C[6]N[6]CC)(C[6]N[6]N)(H)	C[6](N[6]C[6]H)2(CH3)2{1|N<2>,2|N<3>}	N[6](C[6]N[6]CC)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	N[6](C[6]N[6]CC)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	105.7630	0.000	1	105.7630	0.000	1	105.7630	0.000	1	105.7630	0.000	1	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:4:4:	4:3:4:	4:3:1:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6](N[6]C[6]C)(N[6]C[6]H)(CH3)2	N[6](C[6]N[6]CC)(C[6]C[6]H)(CCCH)	N[6](C[6]N[6]CC)(C[6]C[6]S)(H)	C[6](N[6]C[6]C)(N[6]C[6]H)(CH3)2{1|C<3>,1|H<1>,1|S<1>}	N[6](C[6]N[6]CC)(C[6]C[6]H)(CCCH){1|H<1>,2|C<3>}	N[6](C[6]N[6]CC)(C[6]C[6]S)(H){1|C<4>,2|C<3>}	106.4460	0.000	1	106.4460	0.000	1	106.4460	0.000	1	106.4460	0.000	1	108.7549	4.336	94	109.5083	5.299	172
466	856	856	6:SP3_SP2_SP3	C[3x6]	N[3x6]	N[6,6]	3:3:3:1:	4:3:4:	4:3:4:	C[6,6a]-3:N[3x6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6a]-3:C[6,6]-4:	C[3x6]-4:C[6,6a]-3:C[6]-4:	C[3x6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6a]C[6,6])(N[6,6]C[6,6a]C[6])(H)	N[3x6](C[3x6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)	N[6,6](C[3x6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)	C[3x6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6a]C[6,6])(N[6,6]C[6,6a]C[6])(H){2|N<3>,3|H<1>,6|C<3>}	N[3x6](C[3x6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H){1|C<4>,2|H<1>,6|C<3>}	N[6,6](C[3x6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN){1|C<4>,1|H<1>,6|C<3>}	110.7180	0.000	1	110.7180	0.000	1	110.7180	0.000	1	110.7180	0.000	1	111.2185	0.501	2	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[3x6]	N[3x6]	N[6,6]	3:4:3:1:	4:4:4:	4:3:4:	N[3x6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[3x6]-4:	C[3x6]-4:C[6]-3:C[6]-4:	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H)	N[3x6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)	N[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]C[6,6]O)(C[6]C[6]HH)	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H){1|N<3>,1|O<1>,5|C<4>,7|H<1>}	N[3x6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H){1|C<3>,5|H<1>,7|C<4>}	N[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]C[6,6]O)(C[6]C[6]HH){4|H<1>,5|C<4>}	111.7190	0.000	1	111.7190	0.000	1	111.7190	0.000	1	111.7190	0.000	1	111.2185	0.501	2	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[3x6]	N[6,6]	N[6,6]	3:3:3:1:	3:4:4:	3:4:4:	N[6,6]-3:N[6,6]-3:N[6,6]-3:H-1:	C[6,6a]-3:C[3x6]-4:C[6]-4:	C[6,6a]-3:C[3x6]-4:C[6]-4:	C[3x6](N[6,6]C[6,6a]C[6])2(N[6,6]C[6]2)(H)	N[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[3x6]N[6,6]2H)(C[6]C[6]HH)	N[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[3x6]N[6,6]2H)(C[6]C[6]HH)	C[3x6](N[6,6]C[6,6a]C[6])2(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,8|H<1>}	N[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[3x6]N[6,6]2H)(C[6]C[6]HH){3|C<3>,3|C<4>,3|H<1>}	N[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[3x6]N[6,6]2H)(C[6]C[6]HH){3|C<3>,3|C<4>,3|H<1>}	110.9430	0.000	1	110.9430	0.000	1	110.9430	0.000	1	110.9430	0.000	1	108.9479	3.418	8	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[3x6]	N[6,6]	N[6,6]	3:3:3:1:	3:4:4:	4:4:4:	N[6,6]-3:N[6,6]-3:N[6,6]-3:H-1:	C[6,6a]-3:C[3x6]-4:C[6]-4:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6](N[6,6]C[6,6a]C[6])2(N[6,6]C[6]2)(H)	N[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[3x6]N[6,6]2H)(C[6]C[6]HH)	N[6,6](C[3x6]N[6,6]2H)(C[6]C[6]HH)2	C[3x6](N[6,6]C[6,6a]C[6])2(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,8|H<1>}	N[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[3x6]N[6,6]2H)(C[6]C[6]HH){3|C<3>,3|C<4>,3|H<1>}	N[6,6](C[3x6]N[6,6]2H)(C[6]C[6]HH)2{2|C<3>,2|C<4>,4|H<1>}	111.2350	0.000	1	111.2350	0.000	1	111.2350	0.000	1	111.2350	0.000	1	108.9479	3.418	8	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[3x6]	N[6,6]	N[6,6]	3:3:3:3:	4:3:4:	4:3:4:	C[6,6,6a]-3:N[6,6]-3:N[6,6]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C)2(C[6a]C[6a]2)	N[6,6](C[3x6]C[6,6,6a]N[6,6]C[6a])(C[6,6]C[3x6]O)(CH3)	N[6,6](C[3x6]C[6,6,6a]N[6,6]C[6a])(C[6,6]C[3x6]O)(CH3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C)2(C[6a]C[6a]2){1|C<4>,1|N<2>,2|O<1>,3|C<3>,3|H<1>}	N[6,6](C[3x6]C[6,6,6a]N[6,6]C[6a])(C[6,6]C[3x6]O)(CH3){1|C<4>,6|C<3>}	N[6,6](C[3x6]C[6,6,6a]N[6,6]C[6a])(C[6,6]C[3x6]O)(CH3){1|C<4>,6|C<3>}	106.0860	0.000	1	106.4505	0.266	2	106.4505	0.266	2	106.4505	0.266	2	108.9479	3.418	8	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[3x6]	N[6,6]	N[6,6]	3:3:3:3:	4:3:4:	4:3:4:	C[6,6,6a]-3:N[6,6]-3:N[6,6]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C)2(C[6a]C[6a]2)	N[6,6](C[3x6]C[6,6,6a]N[6,6]C[6a])(C[6,6]C[3x6]O)(CH3)	N[6,6](C[3x6]C[6,6,6a]N[6,6]C[6a])(C[6,6]C[3x6]O)(CH3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C)2(C[6a]C[6a]2){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	N[6,6](C[3x6]C[6,6,6a]N[6,6]C[6a])(C[6,6]C[3x6]O)(CH3){1|C<4>,6|C<3>}	N[6,6](C[3x6]C[6,6,6a]N[6,6]C[6a])(C[6,6]C[3x6]O)(CH3){1|C<4>,6|C<3>}	106.8150	0.000	1	106.4505	0.266	2	106.4505	0.266	2	106.4505	0.266	2	108.9479	3.418	8	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[3x6]	N[6,6]	N[6,6]	3:3:4:4:	4:4:4:	4:4:3:	N[6,6]-3:N[6,6]-3:C[6]-4:C[6]-4:	C[3x6]-4:C[6]-4:S[6]-4:	C[3x6]-4:C[6]-4:C[6]-3:	C[3x6](N[6,6]C[6]S[6])(N[6,6]C[6]2)(C[6]C[6]HH)2	N[6,6](C[3x6]N[6,6]C[6]2)(C[6]C[6]HH)(S[6]N[6]OO)	N[6,6](C[3x6]N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)	C[3x6](N[6,6]C[6]S[6])(N[6,6]C[6]2)(C[6]C[6]HH)2{1|N<3>,2|C<4>,3|O<1>,8|H<1>}	N[6,6](C[3x6]N[6,6]C[6]2)(C[6]C[6]HH)(S[6]N[6]OO){1|C<3>,3|C<4>,7|H<1>}	N[6,6](C[3x6]N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O){1|S<4>,3|C<4>,7|H<1>}	109.3380	0.000	1	109.3380	0.000	1	109.3380	0.000	1	109.3380	0.000	1	108.9479	3.418	8	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[3x6]	N[6,6]	N[6,6]	4:3:3:1:	4:4:3:	4:4:3:	C[6,6]-4:N[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:N-3:	C[3x6]-4:C[3x6]-4:N-3:	C[3x6](C[6,6]C[3x6]HH)(N[6,6]C[3x6]N)2(H)	N[6,6](C[3x6]C[6,6]N[6,6]H)2(NOO)	N[6,6](C[3x6]C[6,6]N[6,6]H)2(NOO)	C[3x6](C[6,6]C[3x6]HH)(N[6,6]C[3x6]N)2(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	N[6,6](C[3x6]C[6,6]N[6,6]H)2(NOO){2|C<4>,2|N<3>,4|H<1>}	N[6,6](C[3x6]C[6,6]N[6,6]H)2(NOO){2|C<4>,2|N<3>,4|H<1>}	108.5115	0.103	2	108.5115	0.011	2	108.5115	0.011	2	108.5115	0.011	2	108.9479	3.418	8	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[3x6]	N[6,6]	N[6,6]	4:3:3:4:	4:4:3:	4:4:4:	C[3x6]-4:N[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:C[6]-4:C[6]-3:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6](C[3x6]N[6,6]2C)(N[6,6]C[6]2)2(CH3)	N[6,6](C[3x6]C[3x6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]O)	N[6,6](C[3x6]C[3x6]N[6,6]C)(C[6]C[6]HH)2	C[3x6](C[3x6]N[6,6]2C)(N[6,6]C[6]2)2(CH3){1|O<1>,5|C<4>,6|H<1>}	N[6,6](C[3x6]C[3x6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]O){2|N<3>,3|H<1>,4|C<4>}	N[6,6](C[3x6]C[3x6]N[6,6]C)(C[6]C[6]HH)2{1|C<3>,2|N<3>,3|C<4>,3|H<1>}	110.1430	0.000	1	110.1430	0.000	1	110.1430	0.000	1	110.1430	0.000	1	108.9479	3.418	8	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:3:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)(C[6,6]N[3x6]H)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,7|H<1>}	N[3x6](C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)(C[6,6]N[3x6]H){1|Pd<4>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Pd<4>,1|C<3>,2|C<4>}	113.8935	0.551	2	113.8935	0.303	2	113.8935	0.303	2	113.8935	0.303	2	113.8935	0.303	2	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6,6]	N[3x6]	N[6]	3:3:3:1:	4:3:4:	4:3:1:	C[6,6a]-3:N[3x6]-3:N[6]-3:H-1:	C[3x6]-4:C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6a]C[3x6])(N[6]C[6,6a]H)(H)	N[3x6](C[3x6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)	N[6](C[6,6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6a]C[3x6])(N[6]C[6,6a]H)(H){1|N<3>,2|H<1>,6|C<3>}	N[3x6](C[3x6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H){1|C<4>,2|H<1>,6|C<3>}	N[6](C[6,6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|H<1>,5|C<3>}	107.3090	0.861	2	107.3090	0.742	2	107.3090	0.742	2	107.3090	0.742	2	107.3090	0.742	2	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6,6]	N[6,6]	N[6,6]	3:3:1:1:	3:4:4:	3:4:4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]CH)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]CH)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{2|C<4>,2|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]CH){1|C<4>,1|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]CH){1|C<4>,1|H<1>,4|C<3>}	112.2300	0.000	1	112.2300	0.000	1	111.9159	0.233	13	111.9159	0.233	13	111.0087	2.712	20	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6,6]	N[6,6]	N[6,6]	3:3:1:1:	3:4:4:	3:4:4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|F<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|F<1>,4|C<3>}	111.7340	0.000	1	111.8897	0.244	12	111.9159	0.233	13	111.9159	0.233	13	111.0087	2.712	20	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6,6]	N[6,6]	N[6,6]	3:3:1:1:	3:4:4:	3:4:4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	111.8824	0.664	7	111.8897	0.244	12	111.9159	0.233	13	111.9159	0.233	13	111.0087	2.712	20	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6,6]	N[6,6]	N[6,6]	3:3:1:1:	3:4:4:	3:4:4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|N<3>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|N<3>,4|C<3>}	111.9415	0.051	4	111.8897	0.244	12	111.9159	0.233	13	111.9159	0.233	13	111.0087	2.712	20	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6,6]	N[6,6]	N[6,6]	3:3:3:1:	4:4:4:	4:4:3:	C[6,6a]-3:N[6,6]-3:N[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(N[6,6]C[6]2)(H)	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(N[6,6]C[6]2)(H){1|O<1>,3|C<3>,3|C<4>,6|H<1>}	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<2>,2|C<3>,2|C<4>,3|H<1>}	112.5400	0.000	1	112.5400	0.000	1	112.5400	0.000	1	112.5400	0.000	1	111.0087	2.712	20	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6,6]	N[6,6]	N[6,6]	3:3:4:1:	4:3:3:	4:4:3:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6,6](N[6,6]C[6,6]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]N[6])(C[6]C[3x6]O)	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6a]C[6a]2)	C[6,6](N[6,6]C[6,6]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|N<2>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]N[6])(C[6]C[3x6]O){2|C<2>,2|C<3>,2|H<1>,4|C<4>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6a]C[6a]2){1|C<4>,4|C<3>,6|H<1>}	108.0500	0.000	1	108.0500	0.000	1	108.0500	0.000	1	108.0500	0.000	1	111.0087	2.712	20	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6,6]	N[6,6]	N[6,6]	3:3:4:1:	4:3:4:	4:4:3:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6,6a]-3:C[6]-4:	C[6,6]-4:S[6]-4:C[6]-3:	C[6,6](N[6,6]C[6,6,6a]C[6])(N[6,6]C[6]S[6])(C[6]C[6]HH)(H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]CH)	N[6,6](C[6,6]N[6,6]C[6]H)(S[6]C[6,6a]OO)(C[6]C[6a]C[6])	C[6,6](N[6,6]C[6,6,6a]C[6])(N[6,6]C[6]S[6])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]CH){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	N[6,6](C[6,6]N[6,6]C[6]H)(S[6]C[6,6a]OO)(C[6]C[6a]C[6]){2|C<4>,3|H<1>,4|C<3>}	110.9000	0.000	1	110.9000	0.000	1	110.9000	0.000	1	110.9000	0.000	1	111.0087	2.712	20	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6,6]	N[6,6]	N[6,6]	3:3:4:1:	4:3:4:	4:4:4:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[5,6]-3:C[3x6]-4:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6](N[6,6]C[3x6]C[5,6])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[3x6]C[6,6]2H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](N[6,6]C[3x6]C[5,6])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[3x6]C[6,6]2H){1|C<3>,6|H<1>,7|C<4>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,5|H<1>}	108.7540	0.000	1	108.7540	0.000	1	108.7540	0.000	1	108.7540	0.000	1	111.0087	2.712	20	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6,6]	N[6,6]	N[6,6]	3:3:4:1:	4:4:3:	4:4:4:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[3x6]-4:C[6]-3:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H){1|C<3>,4|H<1>,6|C<4>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,5|H<1>}	108.0755	0.271	2	108.0755	0.073	2	108.0755	0.073	2	108.0755	0.073	2	111.0087	2.712	20	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6,6]	N[6,6]	N[6,6]	3:3:4:1:	4:4:4:	4:4:3:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:C[3x6]-4:C[6]-3:	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]O)	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,7|H<1>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,5|H<1>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]O){6|C<4>,6|H<1>}	108.8720	0.000	1	108.8720	0.000	1	108.8720	0.000	1	108.8720	0.000	1	111.0087	2.712	20	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6,6]	N[6,6]	N[6]	3:3:2:1:	4:3:4:	3:4:4:	N[6]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6a]-3:C[6,6]-4:C-4:	C[6,6](N[6]C[6,6a]C)(N[6,6]C[6]2)(O[6]C[5,6])(H)	N[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]O[6]H)(CH3)	C[6,6](N[6]C[6,6a]C)(N[6,6]C[6]2)(O[6]C[5,6])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]O[6]H)(CH3){1|H<1>,2|C<4>,3|C<3>}	112.8340	0.000	1	112.8340	0.000	1	112.8340	0.000	1	112.8340	0.000	1	110.4640	5.764	11	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6,6]	N[6,6]	N[6]	3:3:3:1:	3:4:3:	4:3:1:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]N[6]C)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]N[6]C){2|H<1>,5|C<3>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]O)(H){5|C<3>}	108.7440	0.000	1	108.7440	0.000	1	108.7440	0.000	1	109.4840	1.095	2	110.4640	5.764	11	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6,6]	N[6,6]	N[6]	3:3:3:1:	3:4:3:	4:3:1:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	N[5a,6]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]N[5a,6]C[6])(N[6]C[6]H)(H)	N[6,6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6])	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[5a,6]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]N[5a,6]C[6])(N[6]C[6]H)(H){1|H<1>,1|O<1>,6|C<3>}	N[6,6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6]){3|H<1>,7|C<3>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[5a,6]O)(H){1|N<3>,4|C<3>}	110.2240	0.000	1	110.2240	0.000	1	110.2240	0.000	1	109.4840	1.095	2	110.4640	5.764	11	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6,6]	N[6,6]	N[6]	3:3:3:1:	3:4:3:	4:3:3:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-3:N-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]N)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6])	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]O)(NC[6a]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]N)(H){1|H<1>,1|O<1>,6|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6]){1|H<1>,1|I<1>,1|N<3>,7|C<3>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]O)(NC[6a]H){5|C<3>}	108.3910	0.000	1	108.3910	0.000	1	108.3910	0.000	1	108.3910	0.000	1	110.4640	5.764	11	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6,6]	N[6,6]	N[6]	3:3:3:1:	3:4:4:	4:4:1:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:S[6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]S[6]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)	N[6](C[6,6]C[6,6a]N[6,6]H)(S[6]C[6,6a]OO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]S[6]H)(H){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH){1|S<4>,4|C<3>,4|H<1>}	N[6](C[6,6]C[6,6a]N[6,6]H)(S[6]C[6,6a]OO)(H){1|C<4>,4|C<3>}	113.5470	0.000	1	113.5470	0.000	1	113.5470	0.000	1	113.5470	0.000	1	110.4640	5.764	11	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6,6]	N[6,6]	N[6]	3:3:3:1:	3:4:4:	4:4:4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:C-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)(CC[6a]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(H){1|C<4>,4|C<3>,5|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH){2|C<4>,3|H<1>,4|C<3>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)(CC[6a]HH){1|C<4>,4|C<3>}	111.6900	0.000	1	111.6900	0.000	1	111.6900	0.000	1	111.6900	0.000	1	110.4640	5.764	11	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6,6]	N[6,6]	N[6]	3:3:3:1:	4:3:2:	4:3:2:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-3:O[6]-2:	C[6,6]-4:C[6]-3:O-2:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]O[6])(N[6]C[6]O)(H)	N[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6])(O[6]C[6])	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(OC)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]O[6])(N[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6])(O[6]C[6]){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(OC){1|O<2>,2|C<4>,3|C<3>}	106.0580	0.000	1	106.0580	0.000	1	106.0580	0.000	1	106.0580	0.000	1	110.4640	5.764	11	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6,6]	N[6,6]	N[6]	3:3:3:1:	4:4:4:	4:3:1:	N[6,6]-3:C[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6]-3:H-1:	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]N)(N[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6]H)2(CC[6a]HH)	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,1|N<3>,3|H<1>}	N[6,6](C[6,6]C[6]N[6]H)2(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|N<3>}	110.4220	0.000	1	110.4220	0.000	1	110.4220	0.000	1	110.4220	0.000	1	110.4640	5.764	11	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6,6]	N[6,6]	N[6]	3:3:3:2:	3:4:3:	4:3:4:	C[6,6a]-3:N[6,6]-3:N[6]-3:O-2:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-3:C-4:	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(OO)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]O)(C[6]C[6,6a]O)	N[6](C[6,6]C[6,6a]N[6,6]O)(C[6]C[6,6a]O)(CH3)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(OO){1|H<1>,2|O<1>,5|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]O)(C[6]C[6,6a]O){2|C<4>,6|C<3>}	N[6](C[6,6]C[6,6a]N[6,6]O)(C[6]C[6,6a]O)(CH3){5|C<3>}	108.5910	0.000	1	108.5910	0.000	1	108.5910	0.000	1	108.5910	0.000	1	110.4640	5.764	11	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6,6]	N[6,6]	N[6]	3:3:4:1:	3:4:4:	3:4:1:	N[6,6]-3:N[6]-3:C[6]-4:H-1:	C[5,6]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6](N[6,6]C[5,6]C[6])(N[6]C[6,6a]H)(C[6]C[6]HH)(H)	N[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]N[6]H)(C[6]C[6,6a]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)	C[6,6](N[6,6]C[5,6]C[6])(N[6]C[6,6a]H)(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	N[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]N[6]H)(C[6]C[6,6a]HH){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H){2|C<4>,3|C<3>,3|H<1>}	110.8820	0.000	1	110.8820	0.000	1	110.8820	0.000	1	110.8820	0.000	1	110.4640	5.764	11	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6,6]	N[6,6]	N[6]	3:4:3:1:	4:4:3:	4:4:1:	N[6,6]-3:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-4:H-1:	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]O)	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<1>,3|C<4>,5|H<1>}	N[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]O){3|C<4>,6|H<1>}	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,4|H<1>}	113.7210	0.000	1	113.7210	0.000	1	113.7210	0.000	1	113.7210	0.000	1	110.4640	5.764	11	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6,6]	N[6]	N[6,6]	3:3:3:1:	3:4:3:	4:4:3:	N[6,6]-3:N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C-3:	C[6,6]-4:C[6,6]-4:C-3:	C[6,6](N[6,6]C[6,6]C)(N[6]C[6,6a]C)(C[6]C[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(COO)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]N[6]H)(COO)	C[6,6](N[6,6]C[6,6]C)(N[6]C[6,6a]C)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(COO){1|C<4>,1|H<1>,5|C<3>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]N[6]H)(COO){2|H<1>,5|C<3>}	106.6970	0.221	2	106.6970	0.049	2	106.6970	0.049	2	106.6970	0.049	2	108.9103	4.786	12	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6,6]	N[6]	N[6,6]	3:3:3:1:	4:3:1:	4:4:4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(N[6]C[6,6a]H)(H)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)	N[6,6](C[6,6]C[6,6a]N[6]H)2(CC[6a]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(N[6]C[6,6a]H)(H){1|N<3>,2|H<1>,4|C<3>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,2|C<4>,4|C<3>}	N[6,6](C[6,6]C[6,6a]N[6]H)2(CC[6a]HH){2|H<1>,4|C<3>}	108.1580	0.000	1	108.1580	0.000	1	108.1580	0.000	1	108.1580	0.000	1	108.9103	4.786	12	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6,6]	N[6]	N[6,6]	3:3:3:1:	4:3:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6]-4:N[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]N[6])(H)	N[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6,6]C[6])(C[6]C[6,6a]O)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]N[6])(H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	N[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6,6]C[6])(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH){1|N<3>,3|H<1>,5|C<3>}	107.2290	0.000	1	107.2290	0.000	1	107.2290	0.000	1	107.2290	0.000	1	108.9103	4.786	12	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6,6]	N[6]	N[6,6]	3:3:3:1:	4:3:3:	4:4:4:	N[6]-3:N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6](N[6]C[6,6]C[6a])(N[6,6]C[6,6]C)(C[6]C[6]C)(H)	N[6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]H)(CC[6a]HH)	C[6,6](N[6]C[6,6]C[6a])(N[6,6]C[6,6]C)(C[6]C[6]C)(H){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|C<2>,3|C<4>,4|C<3>,4|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]H)(CC[6a]HH){1|C<2>,2|H<1>,4|C<3>}	111.2320	0.000	1	111.2320	0.000	1	111.2320	0.000	1	111.2320	0.000	1	108.9103	4.786	12	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6,6]	N[6]	N[6,6]	3:3:3:1:	4:3:4:	4:4:1:	N[6,6]-3:C[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:H-1:	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]N)(N[6]C[6]C)(H)	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(CCHH)	N[6,6](C[6,6]C[6]N[6]H)2(H)	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,1|N<3>,3|H<1>}	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	N[6,6](C[6,6]C[6]N[6]H)2(H){2|C<3>,2|C<4>,2|N<3>}	108.5410	3.230	2	108.5410	10.433	2	108.5410	10.433	2	108.5410	10.433	2	108.9103	4.786	12	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6,6]	N[6]	N[6,6]	3:3:3:1:	4:3:4:	4:4:4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C-4:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(N[6]C[6,6a]C)(H)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)	N[6,6](C[6,6]C[6,6a]N[6]H)2(CC[6a]CH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(N[6]C[6,6a]C)(H){1|N<3>,2|H<1>,4|C<3>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3){1|H<1>,2|C<4>,4|C<3>}	N[6,6](C[6,6]C[6,6a]N[6]H)2(CC[6a]CH){2|C<4>,4|C<3>}	109.4325	1.739	2	109.4325	3.023	2	109.4325	3.023	2	108.7283	2.999	3	108.9103	4.786	12	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6,6]	N[6]	N[6,6]	3:3:3:1:	4:3:4:	4:4:4:	N[6,6]-3:C[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]N)(N[6]C[6]C)(H)	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(CC[6a]HH)	N[6,6](C[6,6]C[6]N[6]H)2(CC[6a]HH)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,1|N<3>,3|H<1>}	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|C<4>,2|N<3>}	N[6,6](C[6,6]C[6]N[6]H)2(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	107.3200	0.000	1	107.3200	0.000	1	107.3200	0.000	1	108.7283	2.999	3	108.9103	4.786	12	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6,6]	N[6]	N[6,6]	3:3:4:1:	3:4:4:	4:3:4:	N[6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C-4:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6](N[6]C[6,6a]C)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(CN[5]HH)	N[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6,6](N[6]C[6,6a]C)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(CN[5]HH){2|C<4>,3|C<3>,3|H<1>}	N[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	111.4650	0.000	1	111.4650	0.000	1	111.4650	0.000	1	111.4650	0.000	1	108.9103	4.786	12	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6,6]	N[6]	N[6,6]	3:4:3:1:	4:3:3:	4:4:4:	N[6]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6](N[6]C[6,6]C[6a])(C[6]C[6,6a]BrH)(N[6,6]C[6,6]C)(H)	N[6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]N[6]H)(CC[6a]HH)	C[6,6](N[6]C[6,6]C[6a])(C[6]C[6,6a]BrH)(N[6,6]C[6,6]C)(H){1|C<4>,1|H<1>,5|C<3>}	N[6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|Br<1>,3|C<4>,4|C<3>,5|H<1>}	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]N[6]H)(CC[6a]HH){1|Br<1>,1|H<1>,5|C<3>}	112.1790	0.000	1	112.1790	0.000	1	112.1790	0.000	1	112.1790	0.000	1	108.9103	4.786	12	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6,6]	N[6]	N[6]	3:3:3:3:	3:4:1:	3:4:1:	C[6]-3:N[6]-3:N[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6](C[6]C[6,6a]O)(N[6]C[6,6a]H)2(C[6]C[6]H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6]2N[6])(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6]2N[6])(H)	C[6,6](C[6]C[6,6a]O)(N[6]C[6,6a]H)2(C[6]C[6]H){1|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6]2N[6])(H){1|O<1>,3|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6]2N[6])(H){1|O<1>,3|H<1>,5|C<3>}	107.2910	0.000	1	107.2910	0.000	1	107.2910	0.000	1	107.2910	0.000	1	107.6980	3.937	6	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6,6]	N[6]	N[6]	3:4:4:3:	3:4:1:	4:3:1:	N[6]-3:C[6]-4:C[6]-4:N[6]-3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](N[6]C[6,6a]H)(C[6]C[6]HH)2(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)	N[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]O)(H)	C[6,6](N[6]C[6,6a]H)(C[6]C[6]HH)2(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H){1|C<2>,2|C<4>,3|C<3>,5|H<1>}	N[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]O)(H){2|C<3>,2|C<4>,5|H<1>}	106.5180	0.000	1	106.5053	0.037	3	106.8260	0.436	4	106.8260	0.436	4	107.6980	3.937	6	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6,6]	N[6]	N[6]	3:4:4:3:	3:4:1:	4:3:1:	N[6]-3:C[6]-4:C[6]-4:N[6]-3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](N[6]C[6,6a]H)(C[6]C[6]HH)2(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)	N[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]O)(H)	C[6,6](N[6]C[6,6a]H)(C[6]C[6]HH)2(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H){2|C<4>,3|C<3>,6|H<1>}	N[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]O)(H){2|C<3>,2|C<4>,5|H<1>}	106.4990	0.270	2	106.5053	0.037	3	106.8260	0.436	4	106.8260	0.436	4	107.6980	3.937	6	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6,6]	N[6]	N[6]	3:4:4:3:	3:4:1:	4:3:1:	N[6]-3:C[6]-4:C[6]-4:N[6]-3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](N[6]C[6,6a]H)(C[6]C[6]HH)2(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]2N[6])(H)	N[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]O)(H)	C[6,6](N[6]C[6,6a]H)(C[6]C[6]HH)2(N[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,4|H<1>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]2N[6])(H){2|C<4>,3|C<3>,5|H<1>}	N[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]O)(H){2|C<3>,2|C<4>,5|H<1>}	107.7880	0.000	1	107.7880	0.000	1	106.8260	0.436	4	106.8260	0.436	4	107.6980	3.937	6	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6,6]	N[6]	N[6]	4:3:3:1:	3:4:1:	3:4:1:	C[6,6]-4:N[6]-3:N[6]-3:H-1:	C[5a,6]-3:C[6,6]-4:H-1:	C[5a,6]-3:C[6,6]-4:H-1:	C[6,6](C[6,6]N[6]2H)(N[6]C[5a,6]H)2(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]N[6]H)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]N[6]H)(H)	C[6,6](C[6,6]N[6]2H)(N[6]C[5a,6]H)2(H){2|C<3>,2|H<1>,2|N<2>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]N[6]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>,2|N<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]N[6]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>,2|N<3>}	111.5930	0.000	1	111.5930	0.000	1	111.5930	0.000	1	111.5930	0.000	1	107.6980	3.937	6	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6,6]	N[6]	3:3:1:1:	3:4:4:	4:4:3:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:N-3:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]N)(H)2	N[6,6](C[6,6]C[6]N[6])(C[6]N[6]HH)2	N[6](C[6]N[6,6]HH)(C[6]N[6]HH)(NOO)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]N)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	N[6,6](C[6,6]C[6]N[6])(C[6]N[6]HH)2{2|C<4>,4|N<3>}	N[6](C[6]N[6,6]HH)(C[6]N[6]HH)(NOO){1|C<3>,1|C<4>}	110.8400	0.000	1	110.8400	0.000	1	110.8400	0.000	1	110.8400	0.000	1	113.7436	2.867	11	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6,6]	N[6]	3:3:1:1:	4:4:4:	4:2:3:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:O[6]-2:C-3:	C[6](N[6,6]C[6,6]C[6])(N[6]O[6]C)(H)2	N[6,6](C[6,6]C[6,6]C[6a]H)(C[6]C[6]HH)(C[6]N[6]HH)	N[6](C[6]N[6,6]HH)(O[6]C[6,6])(CCO)	C[6](N[6,6]C[6,6]C[6])(N[6]O[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6,6](C[6,6]C[6,6]C[6a]H)(C[6]C[6]HH)(C[6]N[6]HH){1|O<2>,2|H<1>,4|C<3>}	N[6](C[6]N[6,6]HH)(O[6]C[6,6])(CCO){1|C<3>,1|H<1>,2|C<4>}	112.8310	0.000	1	112.8310	0.000	1	112.8310	0.000	1	112.8310	0.000	1	113.7436	2.867	11	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6,6]	N[6]	3:3:1:1:	4:4:4:	4:4:3:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	N[6,6](C[6,6]P[6,6]HH)(C[6]N[6]HH)2	N[6](C[6]N[6,6]HH)(C[6]P[6,6]HH)(CCO)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|P<4>,6|H<1>}	N[6,6](C[6,6]P[6,6]HH)(C[6]N[6]HH)2{1|Cu<4>,2|C<3>,2|C<4>}	N[6](C[6]N[6,6]HH)(C[6]P[6,6]HH)(CCO){1|Cu<4>,3|C<4>}	115.0902	0.857	4	114.5841	0.758	8	114.5841	0.758	8	114.5841	0.758	8	113.7436	2.867	11	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6,6]	N[6]	3:3:1:1:	4:4:4:	4:4:3:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	N[6,6](C[6,6]P[6,6]HH)(C[6]N[6]HH)2	N[6](C[6]N[6,6]HH)(C[6]P[6,6]HH)(CCO)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|P<4>,6|H<1>}	N[6,6](C[6,6]P[6,6]HH)(C[6]N[6]HH)2{1|Mo<9>,2|C<3>,2|C<4>}	N[6](C[6]N[6,6]HH)(C[6]P[6,6]HH)(CCO){1|Mo<9>,3|C<4>}	114.4885	0.166	2	114.5841	0.758	8	114.5841	0.758	8	114.5841	0.758	8	113.7436	2.867	11	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6,6]	N[6]	3:3:1:1:	4:4:4:	4:4:3:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	N[6,6](C[6,6]P[6,6]HH)(C[6]N[6]HH)2	N[6](C[6]N[6,6]HH)(C[6]P[6,6]HH)(CCO)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|P<4>,6|H<1>}	N[6,6](C[6,6]P[6,6]HH)(C[6]N[6]HH)2{1|Pt<4>,2|C<3>,2|C<4>}	N[6](C[6]N[6,6]HH)(C[6]P[6,6]HH)(CCO){1|Pt<4>,3|C<4>}	113.6675	0.592	2	114.5841	0.758	8	114.5841	0.758	8	114.5841	0.758	8	113.7436	2.867	11	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6,6]	N[6]	3:3:3:1:	3:4:3:	3:4:1:	N[6,6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6a]N[6]H)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a]H)(H)	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H){2|H<1>,6|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6a]N[6]H)(C[6]C[6]H){1|N<3>,2|H<1>,2|N<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a]H)(H){1|H<1>,2|N<2>,4|C<3>}	110.8360	0.000	1	110.8360	0.000	1	110.8360	0.000	1	110.8360	0.000	1	113.7436	2.867	11	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6,6]	3:3:1:1:	4:4:3:	3:4:4:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6,6]-3:C[6]-4:C[6]-4:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]N)(H)2	N[6](C[6]N[6,6]HH)(C[6]C[6]HH)(NOO)	N[6,6](C[6,6]C[6]N[6])(C[6]N[6]HH)2	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]N)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	N[6](C[6]N[6,6]HH)(C[6]C[6]HH)(NOO){1|C<3>,1|C<4>,2|N<3>}	N[6,6](C[6,6]C[6]N[6])(C[6]N[6]HH)2{2|C<4>,4|N<3>}	109.5810	0.000	1	109.5810	0.000	1	109.5810	0.000	1	109.5810	0.000	1	113.6013	12.126	3	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6,6]	3:3:1:1:	4:4:3:	4:4:4:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6a]-3:	C[6,6]-4:C[6]-4:C[6]-4:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2	N[6](C[6]N[6,6]HH)2(C[6a]C[6a]2)	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2	C[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2{2|C<3>,2|N<3>,6|H<1>}	N[6](C[6]N[6,6]HH)2(C[6a]C[6a]2){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2{2|C<3>,2|C<4>}	115.6115	0.088	2	115.6115	0.008	2	115.6115	0.008	2	115.6115	0.008	2	113.6013	12.126	3	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:1:1:	3:4:1:	4:4:1:	N[6]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	S[6]-4:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(N[6]S[6]H)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)	N[6](S[6]C[6,6a]OO)(C[6]N[6]HH)(H)	C[6](N[6]C[6,6a]H)(N[6]S[6]H)(H)2{2|C<3>,2|O<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H){1|S<4>,2|C<3>,2|H<1>}	N[6](S[6]C[6,6a]OO)(C[6]N[6]HH)(H){1|H<1>,2|C<3>}	111.9858	0.618	12	111.9858	0.381	12	111.9858	0.381	12	111.9858	0.381	12	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:1:1:	3:4:3:	3:4:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:C[6]-4:	C[6](N[6]C[6a]C[6])2(H)2	N[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH)	C[6](N[6]C[6a]C[6])2(H)2{3|H<1>,5|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH){2|H<1>,5|C<3>}	111.8690	0.000	1	111.8690	0.000	1	111.8690	0.000	1	111.8690	0.000	1	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:1:1:	3:4:3:	4:4:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-4:C-4:	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2	N[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]S[6]S)	N[6](C[6]N[6]HH)(C[6]S[6]HH)(CCHH)	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2{1|S<1>,1|S<2>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]S[6]S){2|C<3>,4|C<4>}	N[6](C[6]N[6]HH)(C[6]S[6]HH)(CCHH){2|C<3>}	115.4390	0.000	1	115.4390	0.000	1	115.4390	0.000	1	115.4390	0.000	1	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:1:1:	3:4:4:	3:4:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6]-3:C[6]-4:C-4:	C[6](N[6]C[6,6]C)(N[6]C[6]C)(H)2	N[6](C[6,6]C[6,6]O[6])(C[6]N[6]HH)(CH3)	N[6](C[6]C[6,6]O)(C[6]N[6]HH)(CH3)	C[6](N[6]C[6,6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>}	N[6](C[6,6]C[6,6]O[6])(C[6]N[6]HH)(CH3){1|C<3>,3|C<4>}	N[6](C[6]C[6,6]O)(C[6]N[6]HH)(CH3){1|C<3>,2|C<4>}	110.6990	0.000	1	110.6990	0.000	1	110.6990	0.000	1	110.6907	1.056	8	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:1:1:	3:4:4:	3:4:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6]-4:C-4:	C[6](N[6]C[6,6a]C)2(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP)	C[6](N[6]C[6,6a]C)2(H)2{3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP){1|C<4>,1|H<1>,3|C<3>}	110.1320	0.115	2	110.1320	0.013	2	110.1320	0.013	2	110.6907	1.056	8	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:1:1:	3:4:4:	3:4:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:	C[6](N[6]C[6a]C[6])2(H)2	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	C[6](N[6]C[6a]C[6])2(H)2{1|N<3>,4|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|C<4>,2|H<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|C<4>,2|H<1>,4|C<3>}	110.9126	1.276	5	110.9126	1.627	5	110.9126	1.627	5	110.6907	1.056	8	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:1:1:	3:4:4:	4:3:1:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(H)2	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	N[6](C[6]N[6]HH)(C[6]N[6]S)(H)	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(H)2{1|N<3>,1|S<1>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|C<4>,3|C<3>,3|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]S)(H){1|C<3>,2|C<4>}	109.5737	1.148	3	109.5737	1.319	3	109.5737	1.319	3	109.5737	1.319	3	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:1:1:	3:4:4:	4:4:1:	N[6]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	S[6]-4:C[6]-4:H-1:	C[6](N[6]C[6,6a]C)(N[6]S[6]H)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)	N[6](S[6]C[6,6a]OO)(C[6]N[6]HH)(H)	C[6](N[6]C[6,6a]C)(N[6]S[6]H)(H)2{2|C<3>,2|O<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH){1|C<3>,1|N<2>,1|S<4>,2|H<1>}	N[6](S[6]C[6,6a]OO)(C[6]N[6]HH)(H){1|C<3>,1|C<4>,1|N<2>}	112.7515	1.258	2	112.7515	1.582	2	112.7515	1.582	2	112.7515	1.582	2	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:1:1:	3:4:4:	4:4:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:C[6]-4:C-4:	C[6](N[6]C[6,6a]C)(N[6]C[6]C)(H)2	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]HH)(CC[6a]HH)	N[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(CCHH)	C[6](N[6]C[6,6a]C)(N[6]C[6]C)(H)2{1|C<3>,1|N<2>,2|H<1>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]HH)(CC[6a]HH){2|C<3>,2|C<4>}	N[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(CCHH){1|C<4>,2|C<3>}	114.4810	0.000	1	114.4810	0.000	1	114.4810	0.000	1	112.4884	0.934	7	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:1:1:	3:4:4:	4:4:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	N[6](C[6]N[6]HH)2(CCHH)	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2{1|N<3>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|F<1>,1|H<1>,2|C<4>,3|C<3>}	N[6](C[6]N[6]HH)2(CCHH){1|C<4>,2|C<3>}	112.6895	0.029	2	112.1563	0.194	6	112.1563	0.194	6	112.4884	0.934	7	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:1:1:	3:4:4:	4:4:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	N[6](C[6]N[6]HH)2(CCHH)	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2{1|N<3>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{2|C<4>,2|H<1>,3|C<3>}	N[6](C[6]N[6]HH)2(CCHH){1|C<4>,2|C<3>}	111.8898	0.199	4	112.1563	0.194	6	112.1563	0.194	6	112.4884	0.934	7	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:1:1:	4:3:1:	4:4:3:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:N-3:	C[6](N[6]C[6]H)(N[6]C[6]N)(H)2	N[6](C[6]N[6]HH)(C[6]N[6]C)(H)	N[6](C[6]N[6]HH)2(NOO)	C[6](N[6]C[6]H)(N[6]C[6]N)(H)2{1|C<3>,1|N<3>,2|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]C)(H){1|C<4>,1|H<1>,1|N<3>}	N[6](C[6]N[6]HH)2(NOO){1|C<3>,2|H<1>}	110.1475	0.709	2	109.6442	0.651	5	109.6442	0.651	5	109.6442	0.651	5	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:1:1:	4:3:1:	4:4:3:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:N-3:	C[6](N[6]C[6]H)(N[6]C[6]N)(H)2	N[6](C[6]N[6]HH)(C[6]N[6]C)(H)	N[6](C[6]N[6]HH)2(NOO)	C[6](N[6]C[6]H)(N[6]C[6]N)(H)2{1|C<4>,1|N<2>,2|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]C)(H){1|C<4>,1|N<3>}	N[6](C[6]N[6]HH)2(NOO){1|C<3>,1|H<1>}	109.3087	0.793	3	109.6442	0.651	5	109.6442	0.651	5	109.6442	0.651	5	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:1:1:	4:3:1:	4:4:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6](N[6]C[6]C)(N[6]C[6]H)(H)2	N[6](C[6]N[6]HH)(C[6]N[6]C)(H)	N[6](C[6]N[6]HH)2(CN[6]HH)	C[6](N[6]C[6]C)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]C)(H){1|H<1>,2|C<4>}	N[6](C[6]N[6]HH)2(CN[6]HH){1|C<3>,2|H<1>}	110.6488	0.316	4	110.6488	0.100	4	110.6488	0.100	4	110.6488	0.100	4	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:1:1:	4:3:2:	4:4:3:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-2:	C[6]-4:C[6]-4:N-3:	C[6](N[6]C[6]N)2(H)2	N[6](C[6]N[6]HH)(C[6]N[6]C)(NO)	N[6](C[6]N[6]HH)2(NOO)	C[6](N[6]C[6]N)2(H)2{1|C<4>,1|N<2>,2|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]C)(NO){1|C<4>,1|N<3>}	N[6](C[6]N[6]HH)2(NOO){1|C<3>,1|N<2>}	108.0350	0.000	1	108.0350	0.000	1	108.0350	0.000	1	108.0350	0.000	1	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:1:1:	4:3:3:	4:4:3:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-4:N-3:	C[6](N[6]C[6]N)2(H)2	N[6](C[6]N[6]HH)(C[6]N[6]C)(NOO)	N[6](C[6]N[6]HH)2(NOO)	C[6](N[6]C[6]N)2(H)2{1|C<4>,1|N<2>,2|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]C)(NOO){1|C<4>,1|N<3>}	N[6](C[6]N[6]HH)2(NOO){1|C<3>,1|N<3>}	109.0540	0.000	1	109.0540	0.000	1	109.0540	0.000	1	109.0540	0.000	1	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:1:1:	4:3:4:	3:4:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-4:C[6]-4:	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2	N[6](C[6]N[6]HH)(C[6]N[6]S)(CHHN)	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|S<1>,2|C<3>,2|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]S)(CHHN){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|C<4>,3|C<3>,3|H<1>}	111.7690	1.044	3	111.7690	1.089	3	111.7690	1.089	3	111.7690	1.089	3	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:1:1:	4:3:4:	4:3:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:	C[6](N[6]C[6a]C[6])2(H)2	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)	C[6](N[6]C[6a]C[6])2(H)2{1|C<4>,4|C<3>,4|H<1>}	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH){2|C<4>,2|H<1>,4|C<3>}	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH){2|C<4>,2|H<1>,4|C<3>}	111.6645	0.627	2	111.6645	0.393	2	111.6645	0.393	2	111.6645	0.393	2	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:1:1:	4:3:4:	4:4:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-4:C-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)(C[6]N[6]H)(CC[6a]HH)	N[6](C[6]N[6]HH)2(CC[6a]HH)	C[6](N[6]C[6]C)2(H)2{1|N<3>,3|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]H)(CC[6a]HH){3|C<4>}	N[6](C[6]N[6]HH)2(CC[6a]HH){1|C<3>,2|C<4>}	111.3190	0.553	2	111.3190	0.306	2	112.3363	1.196	25	112.3363	1.196	25	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:1:1:	4:3:4:	4:4:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-4:C-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)(C[6]N[6]N)(CC[5a]HH)	N[6](C[6]N[6]HH)2(CCHH)	C[6](N[6]C[6]C)2(H)2{1|N<2>,1|N<3>,2|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]N)(CC[5a]HH){1|H<1>,2|C<4>}	N[6](C[6]N[6]HH)2(CCHH){1|C<3>,1|C<4>,1|H<1>}	112.0200	0.000	1	112.0200	0.000	1	112.3363	1.196	25	112.3363	1.196	25	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:1:1:	4:3:4:	4:4:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-4:C-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)(C[6]N[6]N)(CC[5a]HH)	N[6](C[6]N[6]HH)2(CC[5]HH)	C[6](N[6]C[6]C)2(H)2{1|N<2>,1|N<3>,2|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]N)(CC[5a]HH){1|H<1>,2|C<4>}	N[6](C[6]N[6]HH)2(CC[5]HH){1|C<3>,1|C<4>,1|H<1>}	111.9750	0.000	1	111.9750	0.000	1	112.3363	1.196	25	112.3363	1.196	25	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:1:1:	4:3:4:	4:4:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-4:C-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)(C[6]N[6]N)(CC[5a]HH)	N[6](C[6]N[6]HH)2(CH3)	C[6](N[6]C[6]C)2(H)2{1|N<2>,1|N<3>,2|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]N)(CC[5a]HH){3|C<4>}	N[6](C[6]N[6]HH)2(CH3){1|C<3>,2|C<4>}	111.0490	0.000	1	111.0490	0.000	1	112.3363	1.196	25	112.3363	1.196	25	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:1:1:	4:3:4:	4:4:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-4:C-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)(C[6]N[6]N)(CC[6a]CH)	N[6](C[6]N[6]HH)2(CH3)	C[6](N[6]C[6]C)2(H)2{1|N<2>,1|N<3>,2|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]N)(CC[6a]CH){3|C<4>}	N[6](C[6]N[6]HH)2(CH3){1|C<3>,2|C<4>}	111.6490	0.000	1	111.6490	0.000	1	112.3363	1.196	25	112.3363	1.196	25	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:1:1:	4:3:4:	4:4:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-4:C-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)(C[6]N[6]N)(CH3)	N[6](C[6]N[6]HH)2(CH3)	C[6](N[6]C[6]C)2(H)2{1|N<2>,1|N<3>,2|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]N)(CH3){1|H<1>,2|C<4>}	N[6](C[6]N[6]HH)2(CH3){1|C<3>,1|C<4>,1|H<1>}	113.2105	1.658	2	112.3215	1.972	4	112.3363	1.196	25	112.3363	1.196	25	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:1:1:	4:3:4:	4:4:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-4:C-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)(C[6]N[6]N)(CH3)	N[6](C[6]N[6]HH)2(CH3)	C[6](N[6]C[6]C)2(H)2{1|N<2>,1|N<3>,2|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]N)(CH3){3|C<4>}	N[6](C[6]N[6]HH)2(CH3){1|C<3>,2|C<4>}	111.4325	0.066	2	112.3215	1.972	4	112.3363	1.196	25	112.3363	1.196	25	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:1:1:	4:3:4:	4:4:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-4:C-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)(C[6]N[6]O)(CC[6a]HH)	N[6](C[6]N[6]HH)2(CC3)	C[6](N[6]C[6]C)2(H)2{1|N<3>,1|O<1>,2|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]O)(CC[6a]HH){3|C<4>}	N[6](C[6]N[6]HH)2(CC3){1|C<3>,2|C<4>}	112.5791	0.700	13	112.5791	0.489	13	112.3363	1.196	25	112.3363	1.196	25	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:1:1:	4:3:4:	4:4:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-4:C-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)(C[6]N[6]S)(CC[6a]HH)	N[6](C[6]N[6]HH)2(CC[6a]HH)	C[6](N[6]C[6]C)2(H)2{1|N<3>,1|S<1>,2|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]S)(CC[6a]HH){3|C<4>}	N[6](C[6]N[6]HH)2(CC[6a]HH){1|C<3>,2|C<4>}	113.1315	3.187	2	113.1315	10.157	2	112.3363	1.196	25	112.3363	1.196	25	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:1:1:	4:4:3:	4:4:3:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:C[6]-4:C-3:	C[6](N[6]C[6]C)(N[6]C[6]N)(H)2	N[6](C[6]N[6]HH)2(NOO)	N[6](C[6]N[6]HH)2(CCO)	C[6](N[6]C[6]C)(N[6]C[6]N)(H)2{1|N<3>,4|H<1>}	N[6](C[6]N[6]HH)2(NOO){1|C<3>,1|C<4>,1|N<3>}	N[6](C[6]N[6]HH)2(CCO){1|C<4>,2|N<3>}	109.8180	0.000	1	109.8180	0.000	1	109.8180	0.000	1	110.1547	0.968	6	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:1:1:	4:4:3:	4:4:3:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:C[6]-4:N-3:	C[6](N[6]C[6]N)2(H)2	N[6](C[6]N[6]HH)2(NOO)	N[6](C[6]N[6]HH)2(NOO)	C[6](N[6]C[6]N)2(H)2{1|N<3>,4|H<1>}	N[6](C[6]N[6]HH)2(NOO){1|C<3>,1|C<4>,1|N<3>}	N[6](C[6]N[6]HH)2(NOO){1|C<3>,1|C<4>,1|N<3>}	111.3660	0.000	1	110.2220	1.176	5	110.2220	1.176	5	110.1547	0.968	6	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:1:1:	4:4:3:	4:4:3:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:C[6]-4:N-3:	C[6](N[6]C[6]N)2(H)2	N[6](C[6]N[6]HH)2(NOO)	N[6](C[6]N[6]HH)2(NOO)	C[6](N[6]C[6]N)2(H)2{1|N<3>,4|H<1>}	N[6](C[6]N[6]HH)2(NOO){1|C<4>,2|N<3>}	N[6](C[6]N[6]HH)2(NOO){1|C<4>,2|N<3>}	109.9360	1.011	4	110.2220	1.176	5	110.2220	1.176	5	110.1547	0.968	6	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:1:1:	4:4:4:	4:3:1:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](N[6]C[6]C)(N[6]C[6]H)(H)2	N[6](C[6]N[6]HH)2(CCHH)	N[6](C[6]N[6]HH)(C[6]N[6]N)(H)	C[6](N[6]C[6]C)(N[6]C[6]H)(H)2{1|N<2>,1|N<3>,2|H<1>}	N[6](C[6]N[6]HH)2(CCHH){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]N)(H){3|C<4>}	111.0860	0.000	1	111.0860	0.000	1	111.5084	0.191	5	111.5084	0.191	5	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:1:1:	4:4:4:	4:3:1:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](N[6]C[6]C)(N[6]C[6]H)(H)2	N[6](C[6]N[6]HH)2(CC[5]HH)	N[6](C[6]N[6]HH)(C[6]N[6]N)(H)	C[6](N[6]C[6]C)(N[6]C[6]H)(H)2{1|N<2>,1|N<3>,2|H<1>}	N[6](C[6]N[6]HH)2(CC[5]HH){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]N)(H){3|C<4>}	111.2000	0.000	1	111.2000	0.000	1	111.5084	0.191	5	111.5084	0.191	5	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:1:1:	4:4:4:	4:3:1:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](N[6]C[6]C)(N[6]C[6]H)(H)2	N[6](C[6]N[6]HH)2(CC[6a]HH)	N[6](C[6]N[6]HH)(C[6]N[6]N)(H)	C[6](N[6]C[6]C)(N[6]C[6]H)(H)2{1|N<2>,1|N<3>,2|H<1>}	N[6](C[6]N[6]HH)2(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]N)(H){3|C<4>}	111.4660	0.000	1	111.4660	0.000	1	111.5084	0.191	5	111.5084	0.191	5	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:1:1:	4:4:4:	4:3:1:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](N[6]C[6]C)(N[6]C[6]H)(H)2	N[6](C[6]N[6]HH)2(CH3)	N[6](C[6]N[6]HH)(C[6]N[6]N)(H)	C[6](N[6]C[6]C)(N[6]C[6]H)(H)2{1|N<2>,1|N<3>,2|H<1>}	N[6](C[6]N[6]HH)2(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]N)(H){3|C<4>}	111.8950	0.436	2	111.8950	0.190	2	111.5084	0.191	5	111.5084	0.191	5	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:1:1:	4:4:4:	4:3:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-3:C-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CCCH)	N[6](C[6]N[6]HH)(C[6]C[6]N)(CH3)	C[6](N[6]C[6]C)2(H)2{1|C<3>,1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CCCH){1|C<3>,1|C<4>,1|N<3>}	N[6](C[6]N[6]HH)(C[6]C[6]N)(CH3){1|N<3>,2|C<4>}	106.6760	0.000	1	106.6760	0.000	1	111.6885	12.764	4	111.6885	12.764	4	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:1:1:	4:4:4:	4:3:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-3:C-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)	N[6](C[6]N[6]HH)(C[6]C[6]N)(CH3)	C[6](N[6]C[6]C)2(H)2{1|C<3>,1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>}	N[6](C[6]N[6]HH)(C[6]C[6]N)(CH3){1|N<3>,2|C<4>}	113.9840	0.000	1	113.9840	0.000	1	111.6885	12.764	4	111.6885	12.764	4	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:1:1:	4:4:4:	4:3:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-3:C-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)(C[6]S[6]HH)(CCHH)	N[6](C[6]N[6]HH)(C[6]S[6]S)(CC[6a]HH)	C[6](N[6]C[6]C)2(H)2{1|S<1>,1|S<2>,2|H<1>}	N[6](C[6]N[6]HH)(C[6]S[6]HH)(CCHH){1|C<3>,1|C<4>}	N[6](C[6]N[6]HH)(C[6]S[6]S)(CC[6a]HH){2|C<4>}	114.4970	0.000	1	114.4970	0.000	1	111.6885	12.764	4	111.6885	12.764	4	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:1:1:	4:4:4:	4:3:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-3:C-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)2(CC[6a]HH)	N[6](C[6]N[6]HH)(C[6]N[6]N)(CH3)	C[6](N[6]C[6]C)2(H)2{1|N<2>,1|N<3>,2|H<1>}	N[6](C[6]N[6]HH)2(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]N)(CH3){1|H<1>,2|C<4>}	111.5970	0.000	1	111.5970	0.000	1	111.6885	12.764	4	111.6885	12.764	4	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:2:1:	3:3:4:	3:4:2:	N[6]-3:N[6]-3:O-2:H-1:	N[6]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:N[6]-2:	C[6](N[6]C[6a]N[6])2(OC)(H)	N[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HO)	N[6](C[6a]C[6a]N[6a])(C[6]N[6]HO)(N[6]C[6])	C[6](N[6]C[6a]N[6])2(OC)(H){1|N<2>,5|C<3>}	N[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HO){1|H<1>,1|O<2>,2|N<2>,5|C<3>}	N[6](C[6a]C[6a]N[6a])(C[6]N[6]HO)(N[6]C[6]){1|H<1>,1|N<3>,4|C<3>}	110.7390	0.000	1	110.7390	0.000	1	110.7390	0.000	1	110.7390	0.000	1	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:3:1:	3:4:1:	3:4:4:	N[6]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:C-4:	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CCC)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CC[5a]HH)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CCC)(H){1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CC[5a]HH){1|H<1>,2|C<3>}	108.9460	0.000	1	108.9460	0.000	1	108.6706	0.528	5	108.6706	0.528	5	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:3:1:	3:4:1:	3:4:4:	N[6]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:C-4:	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CCC)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CC[6a]HH)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CCC)(H){1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CC[6a]HH){1|H<1>,2|C<3>}	109.2800	0.000	1	109.2800	0.000	1	108.6706	0.528	5	108.6706	0.528	5	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:3:1:	3:4:1:	3:4:4:	N[6]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:C-4:	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CCH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CC[6a]HH)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CCH)(H){1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CC[6a]HH){1|H<1>,2|C<3>}	108.3757	0.838	3	108.3757	0.702	3	108.6706	0.528	5	108.6706	0.528	5	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:3:1:	3:4:1:	4:3:1:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){2|H<1>,5|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H){1|H<1>,4|C<3>}	108.2245	0.517	2	108.2245	0.267	2	108.2245	0.267	2	108.2245	0.267	2	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:3:1:	3:4:1:	4:3:2:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:N-2:	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]C[6]N)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(NC)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]C[6]N)(H){1|H<1>,1|O<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,2|N<2>,4|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(NC){1|H<1>,1|N<2>,3|C<3>}	109.7500	0.000	1	109.7500	0.000	1	109.7500	0.000	1	111.7295	7.837	2	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:3:1:	3:4:1:	4:3:2:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:N-2:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]N)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(NC)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]N)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,1|N<2>,5|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(NC){1|H<1>,4|C<3>}	113.7090	0.000	1	113.7090	0.000	1	113.7090	0.000	1	111.7295	7.837	2	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:3:1:	3:4:1:	4:3:3:	C[5]-3:N[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:N-3:	C[6](C[5]C[5]N[5])(N[6]C[6,6a]H)(N[6]C[6]N)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]N[6]H)(H)	N[6](C[6]C[5]N[6]H)(C[6]C[6,6a]O)(NFeC)	C[6](C[5]C[5]N[5])(N[6]C[6,6a]H)(N[6]C[6]N)(H){1|Fe<6>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]N[6]H)(H){1|H<1>,2|N<3>,4|C<3>}	N[6](C[6]C[5]N[6]H)(C[6]C[6,6a]O)(NFeC){1|H<1>,1|N<3>,3|C<3>}	108.8640	0.000	1	108.8640	0.000	1	108.8640	0.000	1	108.8640	0.000	1	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:3:1:	3:4:1:	4:4:1:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:S[6]-4:H-1:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]S[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	N[6](C[6]C[6a]N[6]H)(S[6]C[6,6a]OO)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]S[6]H)(H){1|H<1>,1|O<2>,3|C<3>,3|O<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|S<4>,2|H<1>,4|C<3>}	N[6](C[6]C[6a]N[6]H)(S[6]C[6,6a]OO)(H){1|H<1>,4|C<3>}	109.9460	0.533	2	109.9460	0.284	2	109.9460	0.284	2	109.9460	0.284	2	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:3:1:	3:4:1:	4:4:4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]S)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(SC[6a]OO)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]S)(H){2|N<2>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(SC[6a]OO){1|H<1>,4|C<3>}	109.2180	0.000	1	109.2180	0.000	1	109.2180	0.000	1	109.2180	0.000	1	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:3:1:	3:4:4:	3:4:4:	N[6]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-3:C[6]-4:C-4:	C[6](N[6]C[6,6a]S)(N[6]C[6]C)(CC[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(SC[6a]OO)	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CH3)	C[6](N[6]C[6,6a]S)(N[6]C[6]C)(CC[6a]C)(H){1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CH3){1|S<4>,2|C<3>}	110.9840	0.000	1	110.9840	0.000	1	110.9840	0.000	1	111.0180	0.002	2	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:3:1:	3:4:4:	3:4:4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6]-4:C-4:	C[6](N[6]C[6,6a]C)2(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5a]HH)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5a]HH)	C[6](N[6]C[6,6a]C)2(C[6a]C[6a]2)(H){2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5a]HH){1|C<4>,1|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5a]HH){1|C<4>,1|H<1>,5|C<3>}	111.0520	0.000	1	111.0520	0.000	1	111.0520	0.000	1	111.0180	0.002	2	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:3:1:	3:4:4:	4:3:1:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:H-1:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH){2|H<1>,5|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H){1|C<4>,4|C<3>}	107.6445	0.609	2	107.6445	0.371	2	107.6445	0.371	2	107.6445	0.371	2	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:3:1:	3:4:4:	4:4:4:	N[6]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	S[6]-4:C[6]-4:C-4:	C[6](N[6]C[6,6a]S)(N[6]S[6]C)(CC[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(SC[6a]OO)	N[6](S[6]C[6,6a]OO)(C[6]N[6]CH)(CH3)	C[6](N[6]C[6,6a]S)(N[6]S[6]C)(CC[6a]C)(H){2|C<3>,2|O<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(SC[6a]OO){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](S[6]C[6,6a]OO)(C[6]N[6]CH)(CH3){1|S<4>,2|C<3>}	111.3880	0.000	1	111.3880	0.000	1	111.3880	0.000	1	111.3880	0.000	1	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:3:1:	4:3:1:	4:4:4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6a]N[6]H)(C[6]N[6]S)(H)	N[6](C[6]C[6a]N[6]H)2(CH3)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<2>,1|S<1>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]N[6]S)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6]C[6a]N[6]H)2(CH3){2|H<1>,5|C<3>}	109.5530	0.438	4	109.5530	0.192	4	109.5530	0.192	4	109.5530	0.192	4	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:3:1:	4:3:3:	4:3:4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6]-4:	C[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H)	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C)	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H){4|H<1>,8|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,2|H<1>,6|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|H<1>,7|C<3>}	110.0459	0.423	7	110.0459	0.179	7	110.0459	0.179	7	110.0459	0.179	7	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:3:1:	4:3:4:	4:4:1:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-4:H-1:	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6]O)(CC[5a]HH)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(N[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6]O)(CC[5a]HH){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6]H)(H){3|C<3>,3|C<4>,3|H<1>}	109.7965	0.832	2	109.7965	0.693	2	109.7965	0.693	2	109.7965	0.693	2	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:3:1:	4:4:1:	4:3:4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[5,6,6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6](N[6]C[5,6,6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6a]N[6]H)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[5,6,6]O)(CC[5a]HH)	C[6](N[6]C[5,6,6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6a]N[6]H)(H){2|H<1>,3|C<4>,4|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[5,6,6]O)(CC[5a]HH){2|C<3>,2|C<4>,2|H<1>}	109.8730	0.000	1	109.8730	0.000	1	109.8730	0.000	1	109.8730	0.000	1	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:3:1:	4:4:4:	3:4:1:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]2)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(C[6]C[6]2H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]2)(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(C[6]C[6]2H){2|C<4>,4|C<3>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|Br<1>,2|C<4>,4|C<3>}	113.6110	0.000	1	113.6110	0.000	1	113.6110	0.000	1	113.6110	0.000	1	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:3:1:	4:4:4:	4:2:3:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N[6]-2:C-3:	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]N[6]C)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH)	N[6](C[6]C[6a]N[6]H)(N[6]C[6])(CCO)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]N[6]C)(H){3|C<3>,4|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH){1|N<2>,4|C<3>}	N[6](C[6]C[6a]N[6]H)(N[6]C[6])(CCO){2|C<4>,3|C<3>}	109.9280	0.000	1	109.9280	0.000	1	109.9280	0.000	1	109.9280	0.000	1	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:3:4:	3:4:1:	4:3:1:	N[6]-3:C[6a]-3:N[6]-3:C-4:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]C)(H)	N[6](C[6]C[6a]N[6]C)(C[6]C[6,6a]O)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(CH3){1|O<1>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]C)(H){2|H<1>,5|C<3>}	N[6](C[6]C[6a]N[6]C)(C[6]C[6,6a]O)(H){1|H<1>,4|C<3>}	106.9115	0.112	2	106.9115	0.013	2	106.9115	0.013	2	106.9115	0.013	2	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:4:1:	3:3:4:	3:4:1:	N[6]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]C[6a])(N[6]C[6]H)(CC[6a]CF)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(H)	C[6](N[6]C[6,6a]C[6a])(N[6]C[6]H)(CC[6a]CF)(H){1|O<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH){4|H<1>,5|C<3>}	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(H){3|C<3>}	110.5050	0.000	1	110.5050	0.000	1	110.5050	0.000	1	110.5050	0.000	1	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:4:1:	3:4:1:	4:4:1:	N[6]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	S[6]-4:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(N[6]S[6]H)(CC[6a]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)	N[6](S[6]C[6,6a]OO)(C[6]N[6]CH)(H)	C[6](N[6]C[6,6a]H)(N[6]S[6]H)(CC[6a]HH)(H){2|C<3>,2|O<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H){1|S<4>,2|C<3>,2|H<1>}	N[6](S[6]C[6,6a]OO)(C[6]N[6]CH)(H){1|H<1>,2|C<3>}	111.1230	0.000	1	111.1230	0.000	1	111.0575	0.009	2	111.0575	0.009	2	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:4:1:	3:4:1:	4:4:1:	N[6]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	S[6]-4:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(N[6]S[6]H)(CCl2H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)	N[6](S[6]C[6,6a]OO)(C[6]N[6]CH)(H)	C[6](N[6]C[6,6a]H)(N[6]S[6]H)(CCl2H)(H){2|C<3>,2|O<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H){1|S<4>,2|C<3>,2|H<1>}	N[6](S[6]C[6,6a]OO)(C[6]N[6]CH)(H){1|H<1>,2|C<3>}	110.9920	0.000	1	110.9920	0.000	1	111.0575	0.009	2	111.0575	0.009	2	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:4:1:	3:4:1:	4:4:4:	N[6]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	S[6]-4:C[6]-4:C-4:	C[6](N[6]C[6,6a]H)(N[6]S[6]C)(CClHH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)	N[6](S[6]C[6,6a]OO)(C[6]N[6]CH)(CH3)	C[6](N[6]C[6,6a]H)(N[6]S[6]C)(CClHH)(H){2|C<3>,2|O<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](S[6]C[6,6a]OO)(C[6]N[6]CH)(CH3){1|H<1>,2|C<3>}	109.7600	0.000	1	109.7600	0.000	1	109.9805	0.097	2	109.9805	0.097	2	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:4:1:	3:4:1:	4:4:4:	N[6]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	S[6]-4:C[6]-4:C-4:	C[6](N[6]C[6,6a]H)(N[6]S[6]C)(CHHS)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)	N[6](S[6]C[6,6a]OO)(C[6]N[6]CH)(CH3)	C[6](N[6]C[6,6a]H)(N[6]S[6]C)(CHHS)(H){2|C<3>,2|O<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](S[6]C[6,6a]OO)(C[6]N[6]CH)(CH3){1|H<1>,2|C<3>}	110.2010	0.000	1	110.2010	0.000	1	109.9805	0.097	2	109.9805	0.097	2	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:4:1:	4:3:3:	4:3:1:	N[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6](N[6]C[6]C)(N[6]C[6]H)(CCCH)(H)	N[6](C[6]N[6]CH)(C[6]C[6]H)(CC[6a]O)	N[6](C[6]N[6]CH)(C[6]C[6]O)(H)	C[6](N[6]C[6]C)(N[6]C[6]H)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]N[6]CH)(C[6]C[6]H)(CC[6a]O){1|H<1>,2|C<3>}	N[6](C[6]N[6]CH)(C[6]C[6]O)(H){3|C<3>}	106.7710	0.000	1	106.7710	0.000	1	106.7710	0.000	1	106.7710	0.000	1	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:4:3:	3:4:4:	4:3:1:	N[6]-3:N[6]-3:C-4:C-3:	C[6a]-3:C[6]-4:S[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](N[6]C[6a]S[6])(N[6]C[6]H)(CH3)(COO)	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(S[6]N[6]OO)	N[6](C[6]N[6]CC)(C[6]N[6]N)(H)	C[6](N[6]C[6a]S[6])(N[6]C[6]H)(CH3)(COO){1|N<2>,1|N<3>,2|C<3>,2|O<1>}	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(S[6]N[6]OO){3|C<3>,3|H<1>}	N[6](C[6]N[6]CC)(C[6]N[6]N)(H){1|C<3>,1|S<4>}	110.7660	0.000	1	110.7660	0.000	1	110.7660	0.000	1	110.7660	0.000	1	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:4:4:	3:3:4:	3:4:1:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(CH3)2	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]CC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(CH3)2{1|O<1>,4|C<3>}	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]CC){3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){1|H<1>,4|C<3>}	106.8240	0.000	1	106.8240	0.000	1	105.4765	3.632	2	105.4765	3.632	2	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:4:4:	3:3:4:	3:4:1:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(CH3)2	N[6](C[6]C[6,6a]Pd)(C[6a]C[6a]2)(C[6]N[6]CC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(CH3)2{1|Pd<4>,4|C<3>}	N[6](C[6]C[6,6a]Pd)(C[6a]C[6a]2)(C[6]N[6]CC){1|H<1>,2|C<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){1|H<1>,4|C<3>}	104.1290	0.000	1	104.1290	0.000	1	105.4765	3.632	2	105.4765	3.632	2	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:4:4:	3:4:1:	3:4:1:	N[6]-3:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)2(CH3)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(H)	C[6](N[6]C[6,6a]H)2(CH3)2{3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(H){2|H<1>,3|C<3>}	105.3980	0.000	1	105.3980	0.000	1	105.3980	0.000	1	106.1933	0.141	8	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:4:4:	3:4:1:	3:4:1:	N[6]-3:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(CCHH)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	N[6](C[6]C[6,6a]O)(C[6]N[6]CC)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(CCHH)2{1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)(C[6]N[6]CC)(H){1|H<1>,2|C<3>}	106.3840	0.051	6	106.3840	0.003	6	106.3069	0.044	7	106.1933	0.141	8	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:4:4:	3:4:1:	3:4:1:	N[6]-3:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(CH3)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	N[6](C[6]C[6,6a]O)(C[6]N[6]CC)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(CH3)2{1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)(C[6]N[6]CC)(H){1|H<1>,2|C<3>}	105.8440	0.000	1	105.8440	0.000	1	106.3069	0.044	7	106.1933	0.141	8	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:4:4:	3:4:1:	3:4:2:	N[6]-3:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:O-2:	C[6](N[6]C[6,6a]H)(N[6]C[6]O)(CH3)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	N[6](C[6]C[6,6a]O)(C[6]N[6]CC)(OH)	C[6](N[6]C[6,6a]H)(N[6]C[6]O)(CH3)2{1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6]C[6,6a]O)(C[6]N[6]CC)(OH){1|H<1>,2|C<3>}	103.4190	0.000	1	103.4190	0.000	1	103.4190	0.000	1	103.4190	0.000	1	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:4:4:	3:4:4:	3:4:4:	N[6]-3:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6]-4:C-4:	C[6](N[6]C[6,6a]C)2(CCHH)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3)	C[6](N[6]C[6,6a]C)2(CCHH)2{3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3){1|C<4>,1|H<1>,3|C<3>}	109.1890	0.000	1	109.1890	0.000	1	109.1890	0.000	1	109.1890	0.000	1	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:4:4:	4:3:1:	4:2:1:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-4:C[6]-3:O-1:	C[6]-4:N[6]-2:H-1:	C[6](N[6]C[6]O)(N[6]N[6]H)(CH3)2	N[6](C[6]N[6]CC)(C[6]C[6]H)(O)	N[6](C[6]N[6]CC)(N[6]C[6])(H)	C[6](N[6]C[6]O)(N[6]N[6]H)(CH3)2{1|C<3>,1|H<1>}	N[6](C[6]N[6]CC)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<2>}	N[6](C[6]N[6]CC)(N[6]C[6])(H){1|O<1>,2|C<3>}	103.7070	0.000	1	103.7070	0.000	1	103.7070	0.000	1	103.7070	0.000	1	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:4:3:1:	3:4:4:	4:3:3:	N[6]-3:C[3]-4:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:N-3:	C[6](N[6]C[6,6a]C)(C[3]C[3]2H)(N[6]C[6]N)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3]N[6]H)(CH3)	N[6](C[6]C[3]N[6]H)(C[6]C[6,6a]O)(NC[6a]H)	C[6](N[6]C[6,6a]C)(C[3]C[3]2H)(N[6]C[6]N)(H){1|O<1>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3]N[6]H)(CH3){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[3]N[6]H)(C[6]C[6,6a]O)(NC[6a]H){1|H<1>,2|C<3>,3|C<4>}	107.5570	0.000	1	107.5570	0.000	1	107.5570	0.000	1	107.5570	0.000	1	110.4663	5.044	148	110.5147	5.770	225
466	856	856	6:SP3_SP3_SP3	C[3x6]	N[3x6]	N[6,6]	3:3:3:1:	4:3:4:	4:3:4:	C[6,6a]-3:N[3x6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6a]-3:C[6,6]-4:	C[3x6]-4:C[6,6a]-3:C[6]-4:	C[3x6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6a]C[6,6])(N[6,6]C[6,6a]C[6])(H)	N[3x6](C[3x6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)	N[6,6](C[3x6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)	C[3x6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6a]C[6,6])(N[6,6]C[6,6a]C[6])(H){2|N<3>,3|H<1>,6|C<3>}	N[3x6](C[3x6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H){1|C<4>,2|H<1>,6|C<3>}	N[6,6](C[3x6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN){1|C<4>,1|H<1>,6|C<3>}	111.3600	0.000	1	111.3600	0.000	1	111.3600	0.000	1	111.3600	0.000	1	111.3600	0.000	1	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[3x6]	N[6,6]	N[3x6]	3:4:3:1:	4:4:4:	4:4:4:	N[3x6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:C[6,6]-4:C[3x6]-4:	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H)	N[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]C[6,6]C[6]H)(C[6]C[6]HH)	N[3x6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H){1|C<3>,1|N<3>,5|C<4>,8|H<1>}	N[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]C[6,6]C[6]H)(C[6]C[6]HH){1|C<3>,4|H<1>,6|C<4>}	N[3x6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H){5|H<1>,8|C<4>}	110.4060	0.000	1	110.4060	0.000	1	110.4060	0.000	1	110.4060	0.000	1	110.4060	0.000	1	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[3x6]	N[6,6]	N[6,6]	3:3:3:1:	3:4:4:	3:4:4:	N[6,6]-3:N[6,6]-3:N[6,6]-3:H-1:	C[6,6a]-3:C[3x6]-4:C[6]-4:	C[6,6a]-3:C[3x6]-4:C[6]-4:	C[3x6](N[6,6]C[6,6a]C[6])2(N[6,6]C[6]2)(H)	N[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[3x6]N[6,6]2H)(C[6]C[6]HH)	N[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[3x6]N[6,6]2H)(C[6]C[6]HH)	C[3x6](N[6,6]C[6,6a]C[6])2(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,8|H<1>}	N[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[3x6]N[6,6]2H)(C[6]C[6]HH){3|C<3>,3|C<4>,3|H<1>}	N[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[3x6]N[6,6]2H)(C[6]C[6]HH){3|C<3>,3|C<4>,3|H<1>}	110.9670	0.000	1	110.9670	0.000	1	110.9670	0.000	1	110.9670	0.000	1	110.9822	7.934	26	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[3x6]	N[6,6]	N[6,6]	3:3:3:1:	3:4:4:	4:4:4:	N[6,6]-3:N[6,6]-3:N[6,6]-3:H-1:	C[6,6a]-3:C[3x6]-4:C[6]-4:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6](N[6,6]C[6,6a]C[6])2(N[6,6]C[6]2)(H)	N[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[3x6]N[6,6]2H)(C[6]C[6]HH)	N[6,6](C[3x6]N[6,6]2H)(C[6]C[6]HH)2	C[3x6](N[6,6]C[6,6a]C[6])2(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,8|H<1>}	N[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[3x6]N[6,6]2H)(C[6]C[6]HH){3|C<3>,3|C<4>,3|H<1>}	N[6,6](C[3x6]N[6,6]2H)(C[6]C[6]HH)2{2|C<3>,2|C<4>,4|H<1>}	111.4667	0.533	3	111.4667	0.284	3	111.4667	0.284	3	111.4667	0.284	3	110.9822	7.934	26	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[3x6]	N[6,6]	N[6,6]	3:3:3:1:	4:4:4:	4:4:4:	N[6,6]-3:N[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6](N[6,6]C[6]2)3(H)	N[6,6](C[3x6]N[6,6]2H)(C[6]C[6]HH)2	N[6,6](C[3x6]N[6,6]2H)(C[6]C[6]HH)2	C[3x6](N[6,6]C[6]2)3(H){12|H<1>,3|C<4>}	N[6,6](C[3x6]N[6,6]2H)(C[6]C[6]HH)2{4|C<4>,4|H<1>}	N[6,6](C[3x6]N[6,6]2H)(C[6]C[6]HH)2{4|C<4>,4|H<1>}	110.2203	0.021	3	110.2203	0.000	3	110.2203	0.000	3	110.2203	0.000	3	110.9822	7.934	26	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[3x6]	N[6,6]	N[6,6]	4:3:3:1:	4:4:1:	4:4:1:	C[6,6]-4:N[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]H)2(H)	N[6,6](C[3x6]C[6,6]N[6,6]H)2(H)	N[6,6](C[3x6]C[6,6]N[6,6]H)2(H)	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]H)2(H){1|N<3>,2|H<1>,3|C<4>}	N[6,6](C[3x6]C[6,6]N[6,6]H)2(H){1|C<4>,1|N<4>,6|H<1>}	N[6,6](C[3x6]C[6,6]N[6,6]H)2(H){1|C<4>,1|N<4>,6|H<1>}	114.6960	0.350	3	114.6960	0.122	3	114.6960	0.122	3	114.6960	0.122	3	110.9822	7.934	26	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[3x6]	N[6,6]	N[6,6]	4:3:3:1:	4:4:3:	4:4:3:	C[6,6]-4:N[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:N-3:	C[3x6]-4:C[3x6]-4:N-3:	C[3x6](C[6,6]C[3x6]HH)(N[6,6]C[3x6]N)2(H)	N[6,6](C[3x6]C[6,6]N[6,6]H)2(NOO)	N[6,6](C[3x6]C[6,6]N[6,6]H)2(NOO)	C[3x6](C[6,6]C[3x6]HH)(N[6,6]C[3x6]N)2(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	N[6,6](C[3x6]C[6,6]N[6,6]H)2(NOO){2|C<4>,2|N<3>,4|H<1>}	N[6,6](C[3x6]C[6,6]N[6,6]H)2(NOO){2|C<4>,2|N<3>,4|H<1>}	110.7410	0.000	1	110.7410	0.000	1	110.7410	0.000	1	110.7410	0.000	1	110.9822	7.934	26	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[3x6]	N[6,6]	N[6,6]	4:3:3:1:	4:4:3:	4:4:4:	C[3x6]-4:N[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2)2(H)	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]O)	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2)2(H){1|O<1>,5|C<4>,6|H<1>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]O){2|N<3>,3|C<4>,4|H<1>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2{1|C<3>,2|C<4>,2|N<3>,4|H<1>}	112.9000	0.000	1	112.8270	0.011	2	112.8270	0.011	2	112.8270	0.011	2	110.9822	7.934	26	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[3x6]	N[6,6]	N[6,6]	4:3:3:1:	4:4:3:	4:4:4:	C[3x6]-4:N[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2)2(H)	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]O)	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2)2(H){1|O<1>,6|C<4>,6|H<1>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|N<4>,3|C<4>,4|H<1>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,1|N<4>,2|C<4>,4|H<1>}	112.7540	0.000	1	112.8270	0.011	2	112.8270	0.011	2	112.8270	0.011	2	110.9822	7.934	26	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[3x6]	N[6,6]	N[6,6]	4:3:3:1:	4:4:4:	4:4:4:	C[3x6]-4:N[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2)2(H)	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2)2(H){1|C<3>,4|C<4>,8|H<1>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2{2|C<4>,2|N<3>,5|H<1>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2{2|C<4>,2|N<3>,5|H<1>}	112.8520	0.000	1	112.8520	0.000	1	112.8520	0.000	1	112.2015	0.846	2	110.9822	7.934	26	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[3x6]	N[6,6]	N[6,6]	4:3:3:1:	4:4:4:	4:4:4:	C[6,6]-4:N[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6](C[6,6]N[6]2C)(N[6,6]C[6]2)2(H)	N[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2	N[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2	C[3x6](C[6,6]N[6]2C)(N[6,6]C[6]2)2(H){10|H<1>,3|C<4>}	N[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2{2|N<3>,3|C<4>,4|H<1>}	N[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2{2|N<3>,3|C<4>,4|H<1>}	111.5510	0.000	1	111.5510	0.000	1	111.5510	0.000	1	112.2015	0.846	2	110.9822	7.934	26	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[3x6]	N[6,6]	N[6,6]	4:3:3:4:	4:4:2:	4:4:1:	C[6,6]-4:N[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:C[3x6]-4:O-2:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]O)2(CH3)	N[6,6](C[3x6]C[6,6]N[6,6]C)2(OH)	N[6,6](C[3x6]C[6,6]N[6,6]C)2(O)	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]O)2(CH3){1|N<3>,5|C<4>}	N[6,6](C[3x6]C[6,6]N[6,6]C)2(OH){1|C<4>,1|N<4>,1|O<1>,1|O<2>,4|H<1>}	N[6,6](C[3x6]C[6,6]N[6,6]C)2(O){1|C<4>,1|N<4>,2|O<2>,4|H<1>}	108.6875	0.493	2	108.6875	0.243	2	108.6875	0.243	2	108.6875	0.243	2	110.9822	7.934	26	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[3x6]	N[6,6]	N[6,6]	4:3:3:4:	4:4:2:	4:4:2:	C[6,6]-4:N[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:C[3x6]-4:O-2:	C[3x6]-4:C[3x6]-4:O-2:	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]O)2(CH3)	N[6,6](C[3x6]C[6,6]N[6,6]C)2(OH)	N[6,6](C[3x6]C[6,6]N[6,6]C)2(OH)	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]O)2(CH3){1|H<1>,1|N<3>,4|C<4>}	N[6,6](C[3x6]C[6,6]N[6,6]C)2(OH){1|C<4>,1|N<4>,2|O<2>,4|H<1>}	N[6,6](C[3x6]C[6,6]N[6,6]C)2(OH){1|C<4>,1|N<4>,2|O<2>,4|H<1>}	110.6827	3.758	6	109.6616	19.067	7	109.6616	19.067	7	109.6616	19.067	7	110.9822	7.934	26	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[3x6]	N[6,6]	N[6,6]	4:3:3:4:	4:4:2:	4:4:2:	C[6,6]-4:N[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:C[3x6]-4:O-2:	C[3x6]-4:C[3x6]-4:O-2:	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]O)2(CH3)	N[6,6](C[3x6]C[6,6]N[6,6]C)2(OH)	N[6,6](C[3x6]C[6,6]N[6,6]C)2(OH)	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]O)2(CH3){1|N<3>,5|C<4>}	N[6,6](C[3x6]C[6,6]N[6,6]C)2(OH){1|C<4>,1|N<4>,1|O<1>,1|O<2>,4|H<1>}	N[6,6](C[3x6]C[6,6]N[6,6]C)2(OH){1|C<4>,1|N<4>,1|O<1>,1|O<2>,4|H<1>}	103.5350	0.000	1	109.6616	19.067	7	109.6616	19.067	7	109.6616	19.067	7	110.9822	7.934	26	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[3x6]	N[6,6]	N[6,6]	4:3:3:4:	4:4:3:	4:4:4:	C[5,6,6]-4:N[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:C[6]-4:C[6]-3:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6](C[5,6,6]N[5,6]2C)(N[6,6]C[6]2)2(CH3)	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]O)	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)2	C[3x6](C[5,6,6]N[5,6]2C)(N[6,6]C[6]2)2(CH3){1|O<1>,5|C<4>,6|H<1>}	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]O){2|N<3>,3|H<1>,4|C<4>}	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)2{1|C<3>,2|N<3>,3|C<4>,3|H<1>}	111.0070	0.000	1	111.0070	0.000	1	111.0070	0.000	1	111.0070	0.000	1	110.9822	7.934	26	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[3x6]	N[6,6]	N[6,6]	4:3:3:4:	4:4:4:	4:4:4:	C[3x6]-4:N[6,6]-3:N[6,6]-3:C-4:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6](C[3x6]N[6,6]2C)(N[6,6]C[6]2)2(CH3)	N[6,6](C[3x6]C[3x6]N[6,6]C)(C[6]C[6]HH)2	N[6,6](C[3x6]C[3x6]N[6,6]C)(C[6]C[6]HH)2	C[3x6](C[3x6]N[6,6]2C)(N[6,6]C[6]2)2(CH3){1|C<3>,4|C<4>,8|H<1>}	N[6,6](C[3x6]C[3x6]N[6,6]C)(C[6]C[6]HH)2{2|N<3>,3|C<4>,4|H<1>}	N[6,6](C[3x6]C[3x6]N[6,6]C)(C[6]C[6]HH)2{2|N<3>,3|C<4>,4|H<1>}	108.6090	0.000	1	108.6090	0.000	1	108.6090	0.000	1	108.6090	0.000	1	110.9822	7.934	26	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[4x6]	N[4x6]	N[4x6]	3:3:4:4:	4:4:2:	4:4:2:	N[4x6]-3:N[4x6]-3:C[6,6]-4:C-4:	C[4x6]-4:C[4x6]-4:O[6,6]-2:	C[4x6]-4:C[4x6]-4:O[6,6]-2:	C[4x6](N[4x6]C[4x6]O[6,6])2(C[6,6]N[3x6]HH)(CH3)	N[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6])	N[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6])	C[4x6](N[4x6]C[4x6]O[6,6])2(C[6,6]N[3x6]HH)(CH3){1|B<4>,1|N<3>,4|C<4>}	N[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6]){1|C<4>,1|N<3>,3|O<2>,4|H<1>}	N[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6]){1|C<4>,1|N<3>,3|O<2>,4|H<1>}	111.9113	0.186	3	112.2003	0.247	9	112.2003	0.247	9	112.2003	0.247	9	112.2003	0.247	9	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[4x6]	N[4x6]	N[4x6]	3:3:4:4:	4:4:2:	4:4:2:	N[4x6]-3:N[4x6]-3:C[6,6]-4:C-4:	C[4x6]-4:C[4x6]-4:O[6,6]-2:	C[4x6]-4:C[4x6]-4:O[6,6]-2:	C[4x6](N[4x6]C[4x6]O[6,6])2(C[6,6]N[3x6]HH)(CH3)	N[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6])	N[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6])	C[4x6](N[4x6]C[4x6]O[6,6])2(C[6,6]N[3x6]HH)(CH3){1|B<4>,1|N<3>,5|C<4>}	N[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6]){1|C<3>,1|C<4>,1|N<4>,2|O<2>,4|H<1>}	N[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6]){1|C<3>,1|C<4>,1|N<4>,2|O<2>,4|H<1>}	112.5452	0.286	5	112.2003	0.247	9	112.2003	0.247	9	112.2003	0.247	9	112.2003	0.247	9	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[4x6]	N[4x6]	N[4x6]	3:3:4:4:	4:4:2:	4:4:2:	N[4x6]-3:N[4x6]-3:C[6,6]-4:C-4:	C[4x6]-4:C[4x6]-4:O[6,6]-2:	C[4x6]-4:C[4x6]-4:O[6,6]-2:	C[4x6](N[4x6]C[4x6]O[6,6])2(C[6,6]N[3x6]HH)(CH3)	N[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6])	N[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6])	C[4x6](N[4x6]C[4x6]O[6,6])2(C[6,6]N[3x6]HH)(CH3){1|B<4>,1|N<4>,4|C<4>}	N[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6]){1|C<3>,1|C<4>,1|N<3>,2|O<2>,5|H<1>}	N[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6]){1|C<3>,1|C<4>,1|N<3>,2|O<2>,5|H<1>}	111.3430	0.000	1	112.2003	0.247	9	112.2003	0.247	9	112.2003	0.247	9	112.2003	0.247	9	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]C[3x6]C[6a]H)2(C[6,6]N[3x6]HH)	N[3x6](C[6,6]C[3x6]C[6a]H)2(C[6,6]N[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2{2|C<4>,4|C<3>,4|H<1>}	N[3x6](C[6,6]C[3x6]C[6a]H)2(C[6,6]N[3x6]HH){2|C<4>,2|H<1>,5|C<3>}	N[3x6](C[6,6]C[3x6]C[6a]H)2(C[6,6]N[3x6]HH){2|C<4>,2|H<1>,5|C<3>}	114.3650	0.259	2	114.3650	0.067	2	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]C[3x6]HH)(C[6,6]N[3x6]HH)2	N[3x6](C[6,6]C[3x6]HH)(C[6,6]N[3x6]HH)2	C[6,6](N[3x6]C[6,6]2)2(H)2{1|C<4>,1|N<3>,8|H<1>}	N[3x6](C[6,6]C[3x6]HH)(C[6,6]N[3x6]HH)2{1|N<3>,3|C<4>}	N[3x6](C[6,6]C[3x6]HH)(C[6,6]N[3x6]HH)2{1|N<3>,3|C<4>}	113.2654	0.507	5	113.2654	0.257	5	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|C<3>,1|N<3>,1|P<4>,7|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH){1|O<1>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|O<1>,3|C<4>}	114.3810	0.000	1	114.4565	0.248	20	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|C<4>,1|N<3>,1|P<3>,7|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH){3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){3|C<4>}	114.5754	0.581	9	114.4565	0.248	20	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|C<4>,1|N<3>,1|P<4>,7|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH){1|O<1>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|O<1>,3|C<4>}	114.6722	0.309	4	114.4565	0.248	20	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|C<4>,1|N<3>,1|P<4>,7|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH){1|Ru<9>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<9>,3|C<4>}	114.1470	0.411	6	114.4565	0.248	20	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){3|C<4>}	114.2157	0.296	7	114.2567	0.658	347	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Co<5>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Co<5>,3|C<4>}	114.2807	0.126	3	114.2567	0.658	347	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Fe<5>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Fe<5>,3|C<4>}	114.5046	0.477	9	114.2567	0.658	347	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Fe<6>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Fe<6>,3|C<4>}	114.4300	0.340	6	114.2567	0.658	347	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Fe<8>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Fe<8>,3|C<4>}	114.4186	0.523	14	114.2567	0.658	347	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ir<5>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ir<5>,3|C<4>}	114.1067	0.433	12	114.2567	0.658	347	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Mn<6>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Mn<6>,3|C<4>}	114.7587	0.076	3	114.2567	0.658	347	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Mo<6>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Mo<6>,3|C<4>}	113.8880	0.000	1	114.2567	0.658	347	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Mo<9>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Mo<9>,3|C<4>}	114.6763	0.019	3	114.2567	0.658	347	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|N<3>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|N<3>,3|C<4>}	114.1543	0.180	3	114.2567	0.658	347	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ni<4>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ni<4>,3|C<4>}	114.7852	0.309	6	114.2567	0.658	347	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|O<1>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|O<1>,3|C<4>}	114.6753	0.282	3	114.2567	0.658	347	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Os<9>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Os<9>,3|C<4>}	113.8564	0.579	9	114.2567	0.658	347	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Pd<4>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Pd<4>,3|C<4>}	114.5561	0.565	50	114.2567	0.658	347	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Pt<4>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Pt<4>,3|C<4>}	114.4543	0.637	40	114.2567	0.658	347	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Re<5>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Re<5>,3|C<4>}	114.0603	1.929	3	114.2567	0.658	347	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Re<6>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Re<6>,3|C<4>}	114.0847	1.263	20	114.2567	0.658	347	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Rh<6>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Rh<6>,3|C<4>}	113.9595	0.487	12	114.2567	0.658	347	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Rh<8>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Rh<8>,3|C<4>}	114.4560	0.305	9	114.2567	0.658	347	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<10>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<10>,3|C<4>}	114.4133	0.257	3	114.2567	0.658	347	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<6>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<6>,3|C<4>}	114.0697	0.345	21	114.2567	0.658	347	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<8>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<8>,3|C<4>}	114.3366	0.973	24	114.2567	0.658	347	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<9>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<9>,3|C<4>}	114.4988	0.491	56	114.2567	0.658	347	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|W<6>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|W<6>,3|C<4>}	114.1078	0.263	6	114.2567	0.658	347	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|W<9>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|W<9>,3|C<4>}	114.5607	2.507	3	114.2567	0.658	347	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<4>,1|P<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){4|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){4|C<4>}	112.8280	0.000	1	114.2567	0.658	347	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<4>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Co<6>,1|O<1>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Co<6>,1|O<1>,3|C<4>}	113.3370	0.000	1	114.2567	0.658	347	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<4>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Cu<4>,4|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Cu<4>,4|C<4>}	112.1377	0.734	4	114.2567	0.658	347	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<4>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|O<1>,4|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|O<1>,4|C<4>}	112.4640	0.000	1	114.2567	0.658	347	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<4>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Pd<4>,1|H<1>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Pd<4>,1|H<1>,3|C<4>}	113.2070	0.000	1	114.2567	0.658	347	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<4>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Pd<4>,1|N<2>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Pd<4>,1|N<2>,3|C<4>}	113.1920	0.156	2	114.2567	0.658	347	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<4>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Pt<4>,1|H<1>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Pt<4>,1|H<1>,3|C<4>}	111.7700	0.000	1	114.2567	0.658	347	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<4>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Re<6>,1|H<1>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Re<6>,1|H<1>,3|C<4>}	112.2580	0.967	2	114.2567	0.658	347	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<4>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<6>,4|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<6>,4|C<4>}	112.4455	0.512	6	114.2567	0.658	347	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<4>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<8>,1|H<1>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<8>,1|H<1>,3|C<4>}	114.6940	0.000	1	114.2567	0.658	347	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<4>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<8>,4|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<8>,4|C<4>}	111.4070	0.000	1	114.2567	0.658	347	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HP)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,2|P<3>,7|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HP){3|C<4>}	117.5630	0.007	2	116.0235	1.485	6	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HP)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,2|P<4>,7|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Mo<6>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HP){1|Mo<6>,3|C<4>}	115.0055	0.210	2	116.0235	1.485	6	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HP)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,2|P<4>,7|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|W<6>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HP){1|W<6>,3|C<4>}	115.5020	0.160	2	116.0235	1.485	6	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)3	N[3x6](C[6,6]N[3x6]HH)3	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3{1|Al<4>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)3{1|Al<4>,3|C<4>}	111.7590	0.332	3	112.0130	0.438	547	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)3	N[3x6](C[6,6]N[3x6]HH)3	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3{1|B<4>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)3{1|B<4>,3|C<4>}	111.9332	0.397	6	112.0130	0.438	547	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)3	N[3x6](C[6,6]N[3x6]HH)3	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3{1|Cd<6>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)3{1|Cd<6>,3|C<4>}	111.9745	0.104	6	112.0130	0.438	547	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)3	N[3x6](C[6,6]N[3x6]HH)3	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3{1|Co<6>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)3{1|Co<6>,3|C<4>}	111.5167	0.064	3	112.0130	0.438	547	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)3	N[3x6](C[6,6]N[3x6]HH)3	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3{1|Cu<4>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)3{1|Cu<4>,3|C<4>}	112.9510	0.506	3	112.0130	0.438	547	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)3	N[3x6](C[6,6]N[3x6]HH)3	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3{1|D<1>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)3{1|D<1>,3|C<4>}	111.9237	0.285	6	112.0130	0.438	547	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)3	N[3x6](C[6,6]N[3x6]HH)3	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3{1|H<1>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)3{1|H<1>,3|C<4>}	112.0723	0.355	73	112.0130	0.438	547	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)3	N[3x6](C[6,6]N[3x6]HH)3	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3{1|Mn<6>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)3{1|Mn<6>,3|C<4>}	111.7951	0.450	9	112.0130	0.438	547	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)3	N[3x6](C[6,6]N[3x6]HH)3	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3{1|Ni<5>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)3{1|Ni<5>,3|C<4>}	111.2540	0.418	3	112.0130	0.438	547	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)3	N[3x6](C[6,6]N[3x6]HH)3	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3{1|Ni<6>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)3{1|Ni<6>,3|C<4>}	111.4387	0.152	3	112.0130	0.438	547	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)3	N[3x6](C[6,6]N[3x6]HH)3	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3{1|O<1>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)3{1|O<1>,3|C<4>}	111.6418	0.121	19	112.0130	0.438	547	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)3	N[3x6](C[6,6]N[3x6]HH)3	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3{4|C<4>}	N[3x6](C[6,6]N[3x6]HH)3{4|C<4>}	111.3863	0.512	15	112.0130	0.438	547	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)3	N[3x6](C[6,6]N[3x6]HH)3	C[6,6](N[3x6]C[6,6]2)2(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3{3|C<4>}	N[3x6](C[6,6]N[3x6]HH)3{3|C<4>}	112.0623	0.718	396	112.0130	0.438	547	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)3	N[3x6](C[6,6]N[3x6]HH)3	C[6,6](N[3x6]C[6,6]2)2(H)2{2|N<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3{2|Fe<8>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)3{2|Fe<8>,3|C<4>}	110.6980	0.000	1	112.0130	0.438	547	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)3	N[3x6](C[6,6]N[3x6]HH)3	C[6,6](N[3x6]C[6,6]2)2(H)2{2|N<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3{2|Zn<4>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)3{2|Zn<4>,3|C<4>}	112.5450	0.000	1	112.0130	0.438	547	112.9434	1.792	927	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:S[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]S[6,6])(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)(S[6,6]N[3x6]OO)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]S[6,6])(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,2|O<1>,6|H<1>}	N[3x6](C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)(S[6,6]N[3x6]OO){1|Pd<4>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Pd<4>,1|S<4>,2|C<4>}	114.3895	0.593	2	113.9447	0.407	7	113.9447	0.407	7	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:S[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]S[6,6])(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)(S[6,6]N[3x6]OO)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]S[6,6])(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,2|O<1>,6|H<1>}	N[3x6](C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)(S[6,6]N[3x6]OO){1|Rh<8>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Rh<8>,1|S<4>,2|C<4>}	113.9267	0.584	4	113.9447	0.407	7	113.9447	0.407	7	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:1:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:S[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]S[6,6])(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)(S[6,6]N[3x6]OO)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]S[6,6])(N[3x6]C[6,6]2)(H)2{1|N<4>,1|P<4>,2|O<1>,6|H<1>}	N[3x6](C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)(S[6,6]N[3x6]OO){1|Rh<8>,1|H<1>,3|C<4>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Rh<8>,1|H<1>,1|S<4>,2|C<4>}	113.1270	0.000	1	113.9447	0.407	7	113.9447	0.407	7	112.9509	1.789	934	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:3:1:	4:4:4:	4:4:4:	C[6a]-3:N[3x6]-3:N[3x6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](C[6a]C[6a]N[6a])(N[3x6]C[6,6]2)2(H)	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH)	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH)	C[6,6](C[6a]C[6a]N[6a])(N[3x6]C[6,6]2)2(H){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH){2|C<3>,2|N<2>,4|C<4>}	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH){2|C<3>,2|N<2>,4|C<4>}	112.8243	0.257	3	112.4710	0.543	4	112.4710	0.543	4	112.9021	0.374	16	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:3:1:	4:4:4:	4:4:4:	C[6a]-3:N[3x6]-3:N[3x6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](C[6a]C[6a]N[6a])(N[3x6]C[6,6]2)2(H)	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH)	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH)	C[6,6](C[6a]C[6a]N[6a])(N[3x6]C[6,6]2)2(H){1|C<4>,1|N<4>,4|C<3>,7|H<1>}	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH){1|H<1>,2|C<3>,2|N<2>,4|C<4>}	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH){1|H<1>,2|C<3>,2|N<2>,4|C<4>}	111.4110	0.000	1	112.4710	0.543	4	112.4710	0.543	4	112.9021	0.374	16	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:3:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(C[6a]C[6a]2)(H)	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH)	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,3|C<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH){4|C<3>,4|C<4>}	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH){4|C<3>,4|C<4>}	113.1288	0.378	6	112.9176	0.234	9	113.0458	0.271	12	112.9021	0.374	16	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:3:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(C[6a]C[6a]2)(H)	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH)	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,4|C<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH){4|C<3>,4|C<4>}	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH){4|C<3>,4|C<4>}	112.4950	0.419	3	112.9176	0.234	9	113.0458	0.271	12	112.9021	0.374	16	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:3:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(C[6a]C[6a]2)(H)	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]P[3x6]HH)	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(C[6a]C[6a]2)(H){1|N<3>,1|P<4>,4|C<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]P[3x6]HH){1|Pd<4>,3|C<4>,4|C<3>}	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]P[3x6]HH){1|Pd<4>,3|C<4>,4|C<3>}	113.4307	0.510	3	113.4307	0.261	3	113.0458	0.271	12	112.9021	0.374	16	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[3x6]	3:3:4:1:	4:4:4:	4:4:4:	N[3x6]-3:N[3x6]-3:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(CCHH)(H)	N[3x6](C[6,6]N[3x6]CH)(C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)	N[3x6](C[6,6]N[3x6]CH)(C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)	C[6,6](N[3x6]C[6,6]2)2(CCHH)(H){1|N<4>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]CH)(C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH){1|Ru<6>,4|C<4>}	N[3x6](C[6,6]N[3x6]CH)(C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH){1|Ru<6>,4|C<4>}	111.3250	0.000	1	111.3250	0.000	1	111.3250	0.000	1	111.3250	0.000	1	112.9483	1.765	951	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[6,6]	3:3:4:1:	4:4:4:	4:4:4:	N[6,6]-3:N[3x6]-3:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[3x6]-4:	C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6](N[6,6]C[6,6]C[6])(N[3x6]C[3x6]2)(C[6]C[6]HH)(H)	N[3x6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)	C[6,6](N[6,6]C[6,6]C[6])(N[3x6]C[3x6]2)(C[6]C[6]HH)(H){1|N<3>,5|C<4>,7|H<1>}	N[3x6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H){1|C<3>,5|H<1>,7|C<4>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]N[3x6]C[6]H)(C[6]C[6]HH){5|C<4>,7|H<1>}	113.1170	0.000	1	112.5490	0.645	2	112.5490	0.645	2	112.5490	0.645	2	112.5490	0.645	2	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[6,6]	3:3:4:1:	4:4:4:	4:4:4:	N[6,6]-3:N[3x6]-3:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[3x6]-4:	C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6](N[6,6]C[6,6]C[6])(N[3x6]C[3x6]2)(C[6]C[6]HH)(H)	N[3x6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)	C[6,6](N[6,6]C[6,6]C[6])(N[3x6]C[3x6]2)(C[6]C[6]HH)(H){1|N<3>,5|C<4>,7|H<1>}	N[3x6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H){5|H<1>,8|C<4>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]N[3x6]C[6]H)(C[6]C[6]HH){5|C<4>,7|H<1>}	111.9810	0.000	1	112.5490	0.645	2	112.5490	0.645	2	112.5490	0.645	2	112.5490	0.645	2	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[3x6]	N[6]	3:4:3:1:	4:4:3:	4:3:1:	N[3x6]-3:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:N[3x6]-3:	C[6,6]-4:N[6]-3:H-1:	C[6,6](N[3x6]C[6,6]N[3x6])(C[6]C[6]HH)(N[6]N[6]H)(H)	N[3x6](C[6,6]C[6]N[6]H)2(N[3x6]C[6,6]2)	N[6](C[6,6]N[3x6]C[6]H)(N[6]C[6,6]H)(H)	C[6,6](N[3x6]C[6,6]N[3x6])(C[6]C[6]HH)(N[6]N[6]H)(H){1|N<3>,3|C<4>,4|H<1>}	N[3x6](C[6,6]C[6]N[6]H)2(N[3x6]C[6,6]2){2|N<3>,3|C<4>,8|H<1>}	N[6](C[6,6]N[3x6]C[6]H)(N[6]C[6,6]H)(H){1|N<3>,3|C<4>,3|H<1>}	112.2010	2.789	4	112.2010	7.778	4	112.2010	7.778	4	112.2010	7.778	4	112.2010	7.778	4	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[6,6]	N[6,6]	3:3:1:1:	3:4:4:	3:4:4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[5a,6]-3:C[6,6]-4:C[6]-4:	C[5a,6]-3:C[6,6]-4:C[6]-4:	C[6,6](N[6,6]C[5a,6]C[6])2(H)2	N[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]N[6,6]HH)(C[6]C[5a,6]HH)	N[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]N[6,6]HH)(C[6]C[5a,6]HH)	C[6,6](N[6,6]C[5a,6]C[6])2(H)2{4|C<3>,4|H<1>}	N[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]N[6,6]HH)(C[6]C[5a,6]HH){1|C<4>,1|H<1>,2|C<3>,2|S<2>}	N[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]N[6,6]HH)(C[6]C[5a,6]HH){1|C<4>,1|H<1>,2|C<3>,2|S<2>}	112.7510	0.000	1	112.7510	0.000	1	112.9060	0.048	2	112.0575	0.162	25	112.1073	2.182	51	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[6,6]	N[6,6]	3:3:1:1:	3:4:4:	3:4:4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[5a,6]-3:C[6,6]-4:C[6]-4:	C[5a,6]-3:C[6,6]-4:C[6]-4:	C[6,6](N[6,6]C[5a,6]C[6])2(H)2	N[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]N[6,6]HH)(C[6]C[5a,6]HH)	N[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]N[6,6]HH)(C[6]C[5a,6]HH)	C[6,6](N[6,6]C[5a,6]C[6])2(H)2{2|C<3>,2|N<3>,4|H<1>}	N[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]N[6,6]HH)(C[6]C[5a,6]HH){1|C<4>,1|N<2>,4|C<3>}	N[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]N[6,6]HH)(C[6]C[5a,6]HH){1|C<4>,1|N<2>,4|C<3>}	113.0610	0.000	1	113.0610	0.000	1	112.9060	0.048	2	112.0575	0.162	25	112.1073	2.182	51	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[6,6]	N[6,6]	3:3:1:1:	3:4:4:	3:4:4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]CH)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]CH)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{2|C<4>,2|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]CH){1|C<4>,1|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]CH){1|C<4>,1|H<1>,4|C<3>}	112.2890	0.000	1	112.2890	0.000	1	111.9837	0.103	23	112.0575	0.162	25	112.1073	2.182	51	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[6,6]	N[6,6]	3:3:1:1:	3:4:4:	3:4:4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|Br<1>,1|C<4>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|Br<1>,1|C<4>,4|C<3>}	111.7900	0.000	1	111.9773	0.119	19	111.9837	0.103	23	112.0575	0.162	25	112.1073	2.182	51	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[6,6]	N[6,6]	3:3:1:1:	3:4:4:	3:4:4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	112.0006	0.212	16	111.9773	0.119	19	111.9837	0.103	23	112.0575	0.162	25	112.1073	2.182	51	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[6,6]	N[6,6]	3:3:1:1:	3:4:4:	3:4:4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|S<2>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|S<2>,4|C<3>}	112.7230	0.000	1	111.9773	0.119	19	111.9837	0.103	23	112.0575	0.162	25	112.1073	2.182	51	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[6,6]	N[6,6]	3:3:1:1:	3:4:4:	3:4:4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){2|C<4>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){2|C<4>,4|C<3>}	111.0460	0.000	1	111.9773	0.119	19	111.9837	0.103	23	112.0575	0.162	25	112.1073	2.182	51	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[6,6]	N[6,6]	3:3:1:1:	3:4:4:	3:4:4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HN)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{1|N<3>,3|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){2|C<4>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HN){2|C<4>,4|C<3>}	112.0380	0.000	1	112.0380	0.000	1	111.9837	0.103	23	112.0575	0.162	25	112.1073	2.182	51	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[6,6]	N[6,6]	3:3:1:1:	3:4:4:	3:4:4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	N[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	N[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,5|C<3>}	N[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,5|C<3>}	111.8650	0.103	2	111.8650	0.011	2	111.9837	0.103	23	112.0575	0.162	25	112.1073	2.182	51	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[6,6]	N[6,6]	3:3:1:1:	4:4:4:	4:4:4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6](N[6,6]C[6]2)2(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)(C[6]P[6]HH)	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)(C[6]P[6]HH)	C[6,6](N[6,6]C[6]2)2(H)2{1|N<4>,1|P<4>,8|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)(C[6]P[6]HH){1|Rh<4>,4|C<4>}	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)(C[6]P[6]HH){1|Rh<4>,4|C<4>}	112.7190	0.000	1	112.7190	0.000	1	113.0547	4.560	9	112.5209	4.268	12	112.1073	2.182	51	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[6,6]	N[6,6]	3:3:1:1:	4:4:4:	4:4:4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6](N[6,6]C[6]2)2(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2	C[6,6](N[6,6]C[6]2)2(H)2{2|N<3>,8|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2{2|C<3>,2|C<4>}	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2{2|C<3>,2|C<4>}	111.0290	0.000	1	111.0880	0.139	4	113.0547	4.560	9	112.5209	4.268	12	112.1073	2.182	51	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[6,6]	N[6,6]	3:3:1:1:	4:4:4:	4:4:4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6](N[6,6]C[6]2)2(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2	C[6,6](N[6,6]C[6]2)2(H)2{2|N<3>,8|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2{4|C<4>}	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2{4|C<4>}	111.1077	0.455	3	111.0880	0.139	4	113.0547	4.560	9	112.5209	4.268	12	112.1073	2.182	51	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[6,6]	N[6,6]	3:3:1:1:	4:4:4:	4:4:4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6](N[6,6]C[6]2)2(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]P[6]HH)2	N[6,6](C[6,6]N[6,6]HH)(C[6]P[6]HH)2	C[6,6](N[6,6]C[6]2)2(H)2{2|P<4>,8|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]P[6]HH)2{1|Fe<6>,2|C<3>,2|C<4>}	N[6,6](C[6,6]N[6,6]HH)(C[6]P[6]HH)2{1|Fe<6>,2|C<3>,2|C<4>}	115.9000	0.000	1	115.6433	0.094	3	113.0547	4.560	9	112.5209	4.268	12	112.1073	2.182	51	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[6,6]	N[6,6]	3:3:1:1:	4:4:4:	4:4:4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6](N[6,6]C[6]2)2(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]P[6]HH)2	N[6,6](C[6,6]N[6,6]HH)(C[6]P[6]HH)2	C[6,6](N[6,6]C[6]2)2(H)2{2|P<4>,8|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]P[6]HH)2{1|Fe<7>,2|C<3>,2|C<4>}	N[6,6](C[6,6]N[6,6]HH)(C[6]P[6]HH)2{1|Fe<7>,2|C<3>,2|C<4>}	115.5150	0.298	2	115.6433	0.094	3	113.0547	4.560	9	112.5209	4.268	12	112.1073	2.182	51	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[6,6]	N[6,6]	3:3:1:1:	4:4:4:	4:4:4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6](N[6,6]C[6]2)2(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]S[6]HH)2	N[6,6](C[6,6]N[6,6]HH)(C[6]S[6]HH)2	C[6,6](N[6,6]C[6]2)2(H)2{2|S<2>,8|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]S[6]HH)2{2|C<4>}	N[6,6](C[6,6]N[6,6]HH)(C[6]S[6]HH)2{2|C<4>}	113.4910	0.000	1	113.4910	0.000	1	113.0547	4.560	9	112.5209	4.268	12	112.1073	2.182	51	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[6,6]	N[6,6]	3:3:1:1:	4:4:4:	4:4:4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:C[6]-4:S[6]-4:	C[6,6](N[6,6]C[6]S[6])(N[6,6]C[6]2)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)(S[6]C[6]OO)	C[6,6](N[6,6]C[6]S[6])(N[6,6]C[6]2)(H)2{1|C<4>,1|N<3>,2|O<1>,6|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH){1|C<4>,2|H<1>,2|S<4>}	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)(S[6]C[6]OO){1|S<4>,2|C<4>,2|H<1>}	111.2580	0.000	1	110.9340	0.210	2	110.9197	0.106	3	112.5209	4.268	12	112.1073	2.182	51	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[6,6]	N[6,6]	3:3:1:1:	4:4:4:	4:4:4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:C[6]-4:S[6]-4:	C[6,6](N[6,6]C[6]S[6])(N[6,6]C[6]2)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)(S[6]C[6]OO)	C[6,6](N[6,6]C[6]S[6])(N[6,6]C[6]2)(H)2{1|C<4>,1|N<3>,2|O<1>,6|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH){1|S<4>,2|C<4>,2|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)(S[6]C[6]OO){2|H<1>,3|C<4>}	110.6100	0.000	1	110.9340	0.210	2	110.9197	0.106	3	112.5209	4.268	12	112.1073	2.182	51	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[6,6]	N[6,6]	3:3:1:1:	4:4:4:	4:4:4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:C[6]-4:S[6]-4:	C[6,6](N[6,6]C[6]S[6])(N[6,6]C[6]2)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]O[6]HH)	N[6,6](C[6,6]N[6,6]HH)(C[6]O[6]HH)(S[6]C[6]OO)	C[6,6](N[6,6]C[6]S[6])(N[6,6]C[6]2)(H)2{1|C<4>,1|O<2>,2|O<1>,6|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]O[6]HH){1|C<4>,1|S<4>,2|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]O[6]HH)(S[6]C[6]OO){2|C<4>,2|H<1>}	110.8910	0.000	1	110.8910	0.000	1	110.9197	0.106	3	112.5209	4.268	12	112.1073	2.182	51	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[6,6]	N[6,6]	3:3:3:1:	4:4:4:	4:4:4:	C[6,6a]-3:N[6,6]-3:N[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])2(H)	N[6,6](C[6,6]C[6,6a]N[6,6]H)2(C[6]C[6]HH)	N[6,6](C[6,6]C[6,6a]N[6,6]H)2(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])2(H){1|N<3>,2|C<4>,4|C<3>,7|H<1>}	N[6,6](C[6,6]C[6,6a]N[6,6]H)2(C[6]C[6]HH){2|H<1>,3|C<4>,4|C<3>}	N[6,6](C[6,6]C[6,6a]N[6,6]H)2(C[6]C[6]HH){2|H<1>,3|C<4>,4|C<3>}	112.3815	2.404	6	112.3815	5.781	6	112.3815	5.781	6	112.6883	5.476	7	112.1073	2.182	51	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[6,6]	N[6,6]	3:3:3:1:	4:4:4:	4:4:4:	C[6,6a]-3:N[6,6]-3:N[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:S[6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(N[6,6]C[6]S[6])(H)	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(S[6]C[6]OO)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(N[6,6]C[6]S[6])(H){2|O<1>,3|C<3>,3|C<4>,6|H<1>}	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH){1|C<4>,1|S<4>,3|H<1>,5|C<3>}	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(S[6]C[6]OO){2|C<4>,3|C<3>,3|H<1>}	114.5290	0.000	1	114.5290	0.000	1	114.5290	0.000	1	112.6883	5.476	7	112.1073	2.182	51	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[6,6]	N[6,6]	3:3:4:1:	3:4:4:	3:4:4:	N[6,6]-3:N[6,6]-3:C-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6](N[6,6]C[6,6a]C[6])2(CCHH)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]CH)(C[6]C[6,6a]HH)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]CH)(C[6]C[6,6a]HH)	C[6,6](N[6,6]C[6,6a]C[6])2(CCHH)(H){4|C<3>,4|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]CH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]CH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	110.4310	0.000	1	110.4310	0.000	1	110.4310	0.000	1	110.4310	0.000	1	112.1073	2.182	51	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[6,6]	N[6,6]	3:3:4:1:	4:4:3:	4:4:4:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[3x6]-4:C[6]-3:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H){1|C<3>,4|H<1>,6|C<4>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,5|H<1>}	109.1170	0.000	1	109.1170	0.000	1	109.1170	0.000	1	109.1170	0.000	1	112.1073	2.182	51	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[6,6]	N[6,6]	3:3:4:1:	4:4:4:	4:4:3:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:C[3x6]-4:C[6]-3:	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H)	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,5|H<1>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H){4|H<1>,7|C<4>}	111.8910	0.000	1	111.8910	0.000	1	111.8910	0.000	1	111.8910	0.000	1	112.1073	2.182	51	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[6,6]	N[6,6]	3:3:4:1:	4:4:4:	4:4:4:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[3x6]-4:C[6]-4:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]HH)	N[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H){4|C<4>,9|H<1>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]HH){6|C<4>,6|H<1>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){4|C<4>,5|H<1>}	112.6860	0.000	1	112.6860	0.000	1	112.6860	0.000	1	111.3820	2.334	4	112.1073	2.182	51	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[6,6]	N[6,6]	3:3:4:1:	4:4:4:	4:4:4:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6](N[6,6]C[6,6]C[6])2(C[6]C[6]HH)(H)	N[6,6](C[6,6]N[6,6]C[6]H)2(C[6]C[6]HH)	N[6,6](C[6,6]N[6,6]C[6]H)2(C[6]C[6]HH)	C[6,6](N[6,6]C[6,6]C[6])2(C[6]C[6]HH)(H){1|N<3>,4|C<4>,8|H<1>}	N[6,6](C[6,6]N[6,6]C[6]H)2(C[6]C[6]HH){5|C<4>,6|H<1>}	N[6,6](C[6,6]N[6,6]C[6]H)2(C[6]C[6]HH){5|C<4>,6|H<1>}	110.9473	1.539	3	110.9473	2.367	3	110.9473	2.367	3	111.3820	2.334	4	112.1073	2.182	51	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[6,6]	N[6]	3:3:3:1:	3:4:4:	4:4:3:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:C[6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6a]C[6])(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6a]C[6])(H){1|C<4>,5|H<1>,6|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH){1|C<4>,3|H<1>,5|C<3>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	111.2010	0.000	1	111.2010	0.000	1	111.2010	0.000	1	111.2010	0.000	1	110.7696	0.343	7	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[6,6]	N[6]	3:3:3:1:	4:4:3:	4:4:4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-4:N[6]-3:	C[6,6]-4:C[6]-4:S-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(N[6]C[6]S)(H)	N[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)(N[6]C[6]C)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(SC[6a]OO)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(N[6]C[6]S)(H){2|C<4>,3|C<3>,5|H<1>}	N[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)(N[6]C[6]C){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	110.9920	0.008	2	110.9920	0.000	2	110.9920	0.000	2	110.9920	0.000	2	110.7696	0.343	7	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[6,6]	N[6]	3:3:4:1:	4:3:4:	4:3:1:	N[6,6]-3:N[6]-3:C[6]-4:H-1:	C[6,6]-4:N[6]-3:C[6]-4:	C[6,6]-4:N[6,6]-3:H-1:	C[6,6](N[6,6]C[6]N[6])(N[6]N[6,6]H)(C[6]O[6]HH)(H)	N[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6]H)(C[6]C[6]HH)	N[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)	C[6,6](N[6,6]C[6]N[6])(N[6]N[6,6]H)(C[6]O[6]HH)(H){3|C<4>,3|H<1>}	N[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,6|H<1>}	N[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H){1|N<3>,1|O<2>,3|C<4>,5|H<1>}	110.5505	0.726	4	110.5505	0.527	4	110.5505	0.527	4	110.5505	0.527	4	110.7696	0.343	7	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[6]	N[6,6]	3:3:3:1:	4:3:1:	4:4:4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(N[6]C[6,6a]H)(H)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)	N[6,6](C[6,6]C[6,6a]N[6]H)2(CC[6a]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(N[6]C[6,6a]H)(H){1|N<3>,2|H<1>,4|C<3>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,2|C<4>,4|C<3>}	N[6,6](C[6,6]C[6,6a]N[6]H)2(CC[6a]HH){2|H<1>,4|C<3>}	110.7367	3.402	3	110.7367	11.575	3	110.7367	11.575	3	110.7367	11.575	3	111.2808	12.024	5	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[6]	N[6,6]	3:3:3:1:	4:3:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6]-4:N[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]N[6])(H)	N[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6,6]C[6])(C[6]C[6,6a]O)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]N[6])(H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	N[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6,6]C[6])(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH){1|N<3>,3|H<1>,5|C<3>}	108.7260	0.000	1	108.7260	0.000	1	108.7260	0.000	1	108.7260	0.000	1	111.2808	12.024	5	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[6]	N[6,6]	3:3:3:3:	4:4:1:	4:4:4:	C[6]-3:C[6a]-3:N[6,6]-3:N[6]-3:	C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6,6]C[6]2)(N[6]C[6]H)	N[6](C[6,6]N[6,6]C[6a]C[6])(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6a]C[6]N[6])(C[6]C[6]HH)2	C[6,6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6,6]C[6]2)(N[6]C[6]H){2|C<4>,4|C<3>,8|H<1>}	N[6](C[6,6]N[6,6]C[6a]C[6])(C[6]C[6]HH)(H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	N[6,6](C[6,6]C[6a]C[6]N[6])(C[6]C[6]HH)2{1|C<4>,1|N<2>,3|C<3>,5|H<1>}	115.4680	0.000	1	115.4680	0.000	1	115.4680	0.000	1	115.4680	0.000	1	111.2808	12.024	5	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[6]	N[6]	3:3:3:3:	3:4:1:	3:4:1:	C[6]-3:N[6]-3:N[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6](C[6]C[6,6a]N)(N[6]C[6,6a]H)2(C[6]C[6]H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6]2N[6])(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6]2N[6])(H)	C[6,6](C[6]C[6,6a]N)(N[6]C[6,6a]H)2(C[6]C[6]H){1|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6]2N[6])(H){1|N<2>,3|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6]2N[6])(H){1|N<2>,3|H<1>,5|C<3>}	106.9720	0.000	1	106.9720	0.000	1	106.9720	0.000	1	106.9720	0.000	1	106.5205	0.408	2	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6,6]	N[6]	N[6]	3:4:4:3:	3:4:1:	4:3:1:	N[6]-3:C[6]-4:C[6]-4:N[6]-3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6](N[6]C[6,6a]H)(C[6]C[6]HH)2(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)	N[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]O)(H)	C[6,6](N[6]C[6,6a]H)(C[6]C[6]HH)2(N[6]C[6]H){1|O<1>,1|S<2>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H){2|C<4>,3|C<3>,6|H<1>}	N[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]O)(H){2|C<3>,2|C<4>,5|H<1>}	106.0690	0.000	1	106.0690	0.000	1	106.0690	0.000	1	106.0690	0.000	1	106.5205	0.408	2	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6,6]	N[6]	3:3:1:1:	4:4:4:	4:4:4:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)	N[6](C[6]N[6,6]HH)2(CCHH)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,6|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH){1|S<4>,2|C<4>,2|H<1>}	N[6](C[6]N[6,6]HH)2(CCHH){1|S<4>,2|C<4>}	113.5630	0.000	1	113.5630	0.000	1	115.0021	0.534	15	114.3546	2.730	18	114.3546	2.730	18	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6,6]	N[6]	3:3:1:1:	4:4:4:	4:4:4:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2	N[6](C[6]N[6,6]HH)2(CCHH)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|N<4>,6|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2{5|C<4>}	N[6](C[6]N[6,6]HH)2(CCHH){4|C<4>}	113.7680	0.198	2	115.1049	0.404	14	115.0021	0.534	15	114.3546	2.730	18	114.3546	2.730	18	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6,6]	N[6]	3:3:1:1:	4:4:4:	4:4:4:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2	N[6](C[6]N[6,6]HH)2(CCHH)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{2|N<3>,6|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2{4|C<4>}	N[6](C[6]N[6,6]HH)2(CCHH){3|C<4>}	115.3277	0.308	12	115.1049	0.404	14	115.0021	0.534	15	114.3546	2.730	18	114.3546	2.730	18	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6,6]	N[6]	3:3:1:1:	4:4:4:	4:4:4:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:S-4:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]S)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)	N[6](C[6]N[6,6]HH)2(SCOO)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]S)(H)2{1|C<4>,1|N<3>,6|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH){1|C<4>,2|H<1>,2|S<4>}	N[6](C[6]N[6,6]HH)2(SCOO){1|S<4>,2|C<4>}	110.9350	0.000	1	110.9350	0.000	1	110.9350	0.000	1	114.3546	2.730	18	114.3546	2.730	18	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6,6]	N[6]	3:3:1:1:	4:4:4:	4:4:4:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:S[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](N[6,6]C[6,6]S[6])(N[6]C[6]C)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)(S[6]C[6]OO)	N[6](C[6]N[6,6]HH)2(CCHH)	C[6](N[6,6]C[6,6]S[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|O<1>,4|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)(S[6]C[6]OO){2|H<1>,3|C<4>}	N[6](C[6]N[6,6]HH)2(CCHH){1|S<4>,2|C<4>}	111.9620	0.000	1	111.9620	0.000	1	111.9620	0.000	1	114.3546	2.730	18	114.3546	2.730	18	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6,6]	N[6]	3:3:1:1:	4:4:4:	4:4:4:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:S[6]-4:	C[6]-4:C[6]-4:S-4:	C[6](N[6,6]C[6,6]S[6])(N[6]C[6]S)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)(S[6]C[6]OO)	N[6](C[6]N[6,6]HH)2(SCOO)	C[6](N[6,6]C[6,6]S[6])(N[6]C[6]S)(H)2{1|C<4>,1|N<3>,2|O<1>,4|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)(S[6]C[6]OO){1|S<4>,2|C<4>,2|H<1>}	N[6](C[6]N[6,6]HH)2(SCOO){1|S<4>,2|C<4>}	110.4530	0.000	1	110.4530	0.000	1	110.4530	0.000	1	114.3546	2.730	18	114.3546	2.730	18	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6,6]	3:3:1:1:	4:4:3:	4:4:4:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6a]-3:	C[6,6]-4:C[6]-4:C[6]-4:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2	N[6](C[6]N[6,6]HH)2(C[6a]C[6a]2)	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2	C[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2{2|C<3>,2|N<3>,6|H<1>}	N[6](C[6]N[6,6]HH)2(C[6a]C[6a]2){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2{2|C<3>,2|C<4>}	115.4565	0.265	2	115.4565	0.070	2	115.4565	0.070	2	115.4565	0.070	2	114.7180	1.473	8	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6,6]	3:3:1:1:	4:4:4:	4:4:4:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6,6]-4:C[6]-4:C[6]-4:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]2)(H)2	N[6](C[6]N[6,6]HH)2(C[6]C[6]2H)	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]2)(H)2{1|N<3>,1|N<4>,2|C<4>,7|H<1>}	N[6](C[6]N[6,6]HH)2(C[6]C[6]2H){1|N<3>,3|H<1>,6|C<4>}	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2{5|C<4>}	114.2810	1.786	2	114.4718	1.757	6	114.4718	1.757	6	114.4718	1.757	6	114.7180	1.473	8	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6,6]	3:3:1:1:	4:4:4:	4:4:4:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6,6]-4:C[6]-4:C[6]-4:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]2)(H)2	N[6](C[6]N[6,6]HH)2(C[6]C[6]2H)	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]2)(H)2{1|N<3>,1|N<4>,2|C<4>,7|H<1>}	N[6](C[6]N[6,6]HH)2(C[6]C[6]2H){1|N<3>,4|H<1>,5|C<4>}	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2{1|H<1>,4|C<4>}	114.5673	1.352	4	114.4718	1.757	6	114.4718	1.757	6	114.4718	1.757	6	114.7180	1.473	8	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:1:1:	3:4:4:	3:4:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:	C[6](N[6]C[6a]C[6])2(H)2	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	C[6](N[6]C[6a]C[6])2(H)2{1|N<3>,4|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	112.7777	0.614	3	111.8834	4.255	5	111.8834	4.255	5	111.8834	4.255	5	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:1:1:	3:4:4:	3:4:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:	C[6](N[6]C[6a]C[6])2(H)2	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	C[6](N[6]C[6a]C[6])2(H)2{1|N<3>,4|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|C<4>,2|H<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|C<4>,2|H<1>,4|C<3>}	108.2760	0.000	1	111.8834	4.255	5	111.8834	4.255	5	111.8834	4.255	5	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:1:1:	3:4:4:	3:4:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6a]-3:C[6]-4:C[6]-4:	C[6](N[6]C[6a]C[6])2(H)2	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	C[6](N[6]C[6a]C[6])2(H)2{1|N<3>,4|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|F<1>,1|H<1>,2|C<4>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|F<1>,1|H<1>,2|C<4>,3|C<3>}	112.8080	0.000	1	111.8834	4.255	5	111.8834	4.255	5	111.8834	4.255	5	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:1:1:	3:4:4:	4:4:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	S[6]-4:C[6]-4:C-4:	C[6](N[6]C[6,6a]C)(N[6]S[6]C)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)	N[6](S[6]C[6,6a]OO)(C[6]N[6]HH)(CC[6a]HH)	C[6](N[6]C[6,6a]C)(N[6]S[6]C)(H)2{2|C<3>,2|O<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](S[6]C[6,6a]OO)(C[6]N[6]HH)(CC[6a]HH){1|C<4>,2|C<3>}	111.9960	0.000	1	111.9960	0.000	1	111.9960	0.000	1	111.8770	0.042	4	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:1:1:	3:4:4:	4:4:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	N[6](C[6]N[6]HH)2(CCCH)	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2{1|N<3>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|F<1>,1|H<1>,2|C<4>,3|C<3>}	N[6](C[6]N[6]HH)2(CCCH){1|C<4>,2|C<3>}	111.7160	0.137	2	111.7160	0.019	2	111.7160	0.019	2	111.8770	0.042	4	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:1:1:	3:4:4:	4:4:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:P-4:	C[6](N[6]C[6a]C[6])(N[6]C[6]P)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH)	N[6](C[6]C[6]HH)(C[6]N[6]HH)(PCCN)	C[6](N[6]C[6a]C[6])(N[6]C[6]P)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH){1|C<4>,1|P<4>,2|C<3>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]HH)(PCCN){1|C<3>,1|C<4>,2|H<1>}	112.0800	0.000	1	112.0800	0.000	1	112.0800	0.000	1	111.8770	0.042	4	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:1:1:	4:3:1:	4:3:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:C-4:	C[6](N[6]N[6]C)(N[6]N[6]H)(H)2	N[6](C[6]N[6]HH)(N[6]C[6]C)(H)	N[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)	C[6](N[6]N[6]C)(N[6]N[6]H)(H)2{1|H<1>,2|C<4>}	N[6](C[6]N[6]HH)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|H<1>}	N[6](C[6]N[6]HH)(N[6]C[6]H)(CH3){1|N<3>,3|H<1>}	111.7550	0.286	2	111.7550	0.082	2	111.7550	0.082	2	111.7550	0.082	2	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:1:1:	4:3:3:	4:4:3:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-4:N-3:	C[6](N[6]C[6]N)2(H)2	N[6](C[6]N[6]HH)(C[6]N[6]C)(NOO)	N[6](C[6]N[6]HH)2(NOO)	C[6](N[6]C[6]N)2(H)2{1|C<4>,1|N<2>,2|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]C)(NOO){1|C<4>,1|N<3>}	N[6](C[6]N[6]HH)2(NOO){1|C<3>,1|N<3>}	109.0380	0.000	1	109.0380	0.000	1	109.0380	0.000	1	109.0380	0.000	1	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:1:1:	4:3:4:	4:4:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-4:C-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)(C[6]N[6]O)(CC[6a]HH)	N[6](C[6]N[6]HH)2(CC3)	C[6](N[6]C[6]C)2(H)2{1|N<3>,1|O<1>,2|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]O)(CC[6a]HH){3|C<4>}	N[6](C[6]N[6]HH)2(CC3){1|C<3>,2|C<4>}	112.6750	0.000	1	112.6750	0.000	1	112.6750	0.000	1	111.4820	2.846	2	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:1:1:	4:3:4:	4:4:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[5,6]-4:C[6]-4:S-4:	C[6](N[6]C[6a]C[6])(N[6]C[5,6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)	N[6](C[5,6]C[5,6]N[5]H)(C[6]N[6]HH)(SC[6a]OO)	C[6](N[6]C[6a]C[6])(N[6]C[5,6]S)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH){1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	N[6](C[5,6]C[5,6]N[5]H)(C[6]N[6]HH)(SC[6a]OO){1|N<3>,2|C<4>,3|C<3>}	110.2890	0.000	1	110.2890	0.000	1	110.2890	0.000	1	111.4820	2.846	2	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:1:1:	4:4:3:	4:4:3:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:C[6]-4:N-3:	C[6](N[6]C[6]N)2(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(NOO)	N[6](C[6]C[6]HH)(C[6]N[6]HH)(NOO)	C[6](N[6]C[6]N)2(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]HH)(NOO){1|C<4>,1|N<2>,2|N<3>}	N[6](C[6]C[6]HH)(C[6]N[6]HH)(NOO){1|C<4>,1|N<2>,2|N<3>}	111.3720	0.000	1	111.3720	0.000	1	110.0109	5.043	41	110.0109	5.043	41	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:1:1:	4:4:3:	4:4:3:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:C[6]-4:N-3:	C[6](N[6]C[6]N)2(H)2	N[6](C[6]N[6]HH)2(NOO)	N[6](C[6]N[6]HH)2(NOO)	C[6](N[6]C[6]N)2(H)2{1|N<3>,4|H<1>}	N[6](C[6]N[6]HH)2(NOO){1|C<4>,2|N<3>}	N[6](C[6]N[6]HH)2(NOO){1|C<4>,2|N<3>}	109.9769	2.264	40	109.9769	5.124	40	110.0109	5.043	41	110.0109	5.043	41	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:1:1:	4:4:4:	4:4:4:	N[6]-3:N[6]-3:H-1:H-1:	C[3]-4:C[6]-4:C[6]-4:	C[3]-4:C[6]-4:C[6]-4:	C[6](N[6]C[3]C[6])2(H)2	N[6](C[3]C[3]2H)(C[6]N[6]HH)2	N[6](C[3]C[3]2H)(C[6]N[6]HH)2	C[6](N[6]C[3]C[6])2(H)2{1|N<3>,4|C<4>,6|H<1>}	N[6](C[3]C[3]2H)(C[6]N[6]HH)2{3|C<4>,4|H<1>}	N[6](C[3]C[3]2H)(C[6]N[6]HH)2{3|C<4>,4|H<1>}	111.1410	1.860	2	111.1410	3.458	2	111.1410	3.458	2	110.6615	2.069	56	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:1:1:	4:4:4:	4:4:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:C-4:	C[6](N[6]C[6,6]C)(N[6]C[6]C)(H)2	N[6](C[6,6]N[6,6]Ga[6]H)(C[6]N[6]HH)(CH3)	N[6](C[6]N[6,6]HH)(C[6]N[6]HH)(CH3)	C[6](N[6]C[6,6]C)(N[6]C[6]C)(H)2{1|Ga<4>,1|N<4>,3|H<1>}	N[6](C[6,6]N[6,6]Ga[6]H)(C[6]N[6]HH)(CH3){1|Ga<4>,1|N<4>,5|C<4>}	N[6](C[6]N[6,6]HH)(C[6]N[6]HH)(CH3){1|Ga<4>,3|C<4>}	111.7230	0.000	1	111.7230	0.000	1	111.7230	0.000	1	110.6615	2.069	56	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:1:1:	4:4:4:	4:4:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:C-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CC[6a]HH)	N[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CC[6a]HH)	C[6](N[6]C[6]C)2(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CC[6a]HH){1|C<3>,1|N<3>,2|C<4>}	N[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CC[6a]HH){1|C<3>,1|N<3>,2|C<4>}	109.8090	0.000	1	109.8090	0.000	1	111.1018	0.655	38	110.6615	2.069	56	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:1:1:	4:4:4:	4:4:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:C-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)	C[6](N[6]C[6]C)2(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH){2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH){2|C<4>,2|H<1>}	110.4355	1.479	2	110.4355	2.186	2	111.1018	0.655	38	110.6615	2.069	56	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:1:1:	4:4:4:	4:4:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:C-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CN[6]HH)	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CN[6]HH)	C[6](N[6]C[6]C)2(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CN[6]HH){2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CN[6]HH){2|C<4>,2|H<1>}	110.9735	1.605	4	110.9735	2.576	4	111.1018	0.655	38	110.6615	2.069	56	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:1:1:	4:4:4:	4:4:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:C-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]AlH)(C[6]N[6]HH)(CH3)	N[6](C[6]N[6]HH)2(CH3)	C[6](N[6]C[6]C)2(H)2{1|Al<4>,1|N<4>,3|H<1>}	N[6](C[6]N[6]AlH)(C[6]N[6]HH)(CH3){1|Al<4>,3|C<4>}	N[6](C[6]N[6]HH)2(CH3){1|Al<4>,3|C<4>}	111.5140	0.127	2	111.5140	0.016	2	111.1018	0.655	38	110.6615	2.069	56	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:1:1:	4:4:4:	4:4:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:C-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)(C[6]P[6]HH)(CC[6a]HH)	N[6](C[6]N[6]HH)(C[6]P[6]HH)(CC[6a]HH)	C[6](N[6]C[6]C)2(H)2{1|P<3>,4|H<1>}	N[6](C[6]N[6]HH)(C[6]P[6]HH)(CC[6a]HH){3|C<4>}	N[6](C[6]N[6]HH)(C[6]P[6]HH)(CC[6a]HH){3|C<4>}	111.2695	0.279	2	110.9093	0.428	3	111.1018	0.655	38	110.6615	2.069	56	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:1:1:	4:4:4:	4:4:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:C-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)(C[6]P[6]HH)(CC[6a]HH)	N[6](C[6]N[6]HH)(C[6]P[6]HH)(CC[6a]HH)	C[6](N[6]C[6]C)2(H)2{1|P<4>,4|H<1>}	N[6](C[6]N[6]HH)(C[6]P[6]HH)(CC[6a]HH){1|Pd<4>,3|C<4>}	N[6](C[6]N[6]HH)(C[6]P[6]HH)(CC[6a]HH){1|Pd<4>,3|C<4>}	110.1890	0.000	1	110.9093	0.428	3	111.1018	0.655	38	110.6615	2.069	56	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:1:1:	4:4:4:	4:4:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:C-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)2(CC[6a]HH)	N[6](C[6]N[6]HH)2(CC[6]HH)	C[6](N[6]C[6]C)2(H)2{1|N<4>,4|H<1>}	N[6](C[6]N[6]HH)2(CC[6a]HH){1|Cu<5>,3|C<4>}	N[6](C[6]N[6]HH)2(CC[6]HH){1|Cu<5>,3|C<4>}	110.9380	0.000	1	110.9380	0.000	1	111.1018	0.655	38	110.6615	2.069	56	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:1:1:	4:4:4:	4:4:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:C-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)2(CC[6a]HH)	N[6](C[6]N[6]HH)2(CC[6a]HH)	C[6](N[6]C[6]C)2(H)2{1|N<3>,4|H<1>}	N[6](C[6]N[6]HH)2(CC[6a]HH){3|C<4>}	N[6](C[6]N[6]HH)2(CC[6a]HH){3|C<4>}	111.5957	1.007	3	111.5957	1.013	3	111.1018	0.655	38	110.6615	2.069	56	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:1:1:	4:4:4:	4:4:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:C-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)2(CH3)	N[6](C[6]N[6]HH)2(CH3)	C[6](N[6]C[6]C)2(H)2{1|N<3>,4|H<1>}	N[6](C[6]N[6]HH)2(CH3){3|C<4>}	N[6](C[6]N[6]HH)2(CH3){3|C<4>}	111.2818	0.601	12	111.2307	0.365	13	111.1018	0.655	38	110.6615	2.069	56	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:1:1:	4:4:4:	4:4:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:C-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)2(CH3)	N[6](C[6]N[6]HH)2(CH3)	C[6](N[6]C[6]C)2(H)2{1|N<4>,4|H<1>}	N[6](C[6]N[6]HH)2(CH3){1|H<1>,3|C<4>}	N[6](C[6]N[6]HH)2(CH3){1|H<1>,3|C<4>}	110.6170	0.000	1	111.2307	0.365	13	111.1018	0.655	38	110.6615	2.069	56	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:1:1:	4:4:4:	4:4:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:C-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]SiH)(C[6]N[6]HH)(CH3)	N[6](C[6]N[6]HH)2(CH3)	C[6](N[6]C[6]C)2(H)2{1|Si<4>,1|N<3>,3|H<1>}	N[6](C[6]N[6]SiH)(C[6]N[6]HH)(CH3){3|C<4>}	N[6](C[6]N[6]HH)2(CH3){3|C<4>}	111.1833	0.582	8	111.0907	0.374	9	111.1018	0.655	38	110.6615	2.069	56	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:1:1:	4:4:4:	4:4:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:C-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]SiH)(C[6]N[6]HH)(CH3)	N[6](C[6]N[6]HH)2(CH3)	C[6](N[6]C[6]C)2(H)2{1|Si<4>,1|N<4>,3|H<1>}	N[6](C[6]N[6]SiH)(C[6]N[6]HH)(CH3){1|Al<4>,3|C<4>}	N[6](C[6]N[6]HH)2(CH3){1|Al<4>,3|C<4>}	110.3500	0.000	1	111.0907	0.374	9	111.1018	0.655	38	110.6615	2.069	56	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:1:1:	4:4:4:	4:4:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:C[6]-4:	C[6](N[6]C[6]2)2(H)2	N[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]HH)	N[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]HH)	C[6](N[6]C[6]2)2(H)2{5|H<1>,6|C<4>}	N[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]HH){1|N<3>,4|C<4>,5|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]HH){1|N<3>,4|C<4>,5|H<1>}	109.8880	0.000	1	109.8880	0.000	1	109.8880	0.000	1	110.6615	2.069	56	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:1:1:	4:4:4:	4:4:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:C[6]-4:C-4:	C[6](N[6]C[6]C)(N[6]C[6]S)(H)2	N[6](C[6]N[6]HH)2(SC[6a]OO)	N[6](C[6]N[6]HH)2(CC3)	C[6](N[6]C[6]C)(N[6]C[6]S)(H)2{1|N<3>,4|H<1>}	N[6](C[6]N[6]HH)2(SC[6a]OO){1|S<4>,2|C<4>}	N[6](C[6]N[6]HH)2(CC3){1|C<4>,2|S<4>}	110.9808	0.231	6	110.9808	0.053	6	110.9808	0.053	6	110.6615	2.069	56	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:1:1:	4:4:4:	4:4:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:C[6]-4:S-4:	C[6](N[6]C[6]S)2(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(SC[6a]OO)	N[6](C[6]C[6]HH)(C[6]N[6]HH)(SC[6a]OO)	C[6](N[6]C[6]S)2(H)2{1|C<3>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|S<4>}	N[6](C[6]C[6]HH)(C[6]N[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|S<4>}	110.0555	0.227	2	109.9730	0.046	3	108.1745	3.739	8	110.6615	2.069	56	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:1:1:	4:4:4:	4:4:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:C[6]-4:S-4:	C[6](N[6]C[6]S)2(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(SC[6a]OO)	N[6](C[6]C[6]HH)(C[6]N[6]HH)(SC[6a]OO)	C[6](N[6]C[6]S)2(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	N[6](C[6]C[6]HH)(C[6]N[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	109.8080	0.000	1	109.9730	0.046	3	108.1745	3.739	8	110.6615	2.069	56	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:1:1:	4:4:4:	4:4:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:C[6]-4:S-4:	C[6](N[6]C[6]S)2(H)2	N[6](C[6]N[6]HH)2(SC[6a]OO)	N[6](C[6]N[6]HH)2(SC[6a]OO)	C[6](N[6]C[6]S)2(H)2{1|N<3>,4|H<1>}	N[6](C[6]N[6]HH)2(SC[6a]OO){1|C<4>,2|S<4>}	N[6](C[6]N[6]HH)2(SC[6a]OO){1|C<4>,2|S<4>}	108.6665	1.054	2	107.0954	2.638	5	108.1745	3.739	8	110.6615	2.069	56	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:1:1:	4:4:4:	4:4:4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:C[6]-4:S-4:	C[6](N[6]C[6]S)2(H)2	N[6](C[6]N[6]HH)2(SC[6a]OO)	N[6](C[6]N[6]HH)2(SC[6a]OO)	C[6](N[6]C[6]S)2(H)2{1|N<3>,4|H<1>}	N[6](C[6]N[6]HH)2(SC[6a]OO){1|S<4>,2|C<4>}	N[6](C[6]N[6]HH)2(SC[6a]OO){1|S<4>,2|C<4>}	106.0480	0.779	3	107.0954	2.638	5	108.1745	3.739	8	110.6615	2.069	56	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:3:1:	3:4:1:	3:4:1:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]H)2(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]H)2(H){1|O<2>,6|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(H){2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(H){2|H<1>,5|C<3>}	106.7400	0.000	1	106.7400	0.000	1	106.7400	0.000	1	106.4660	0.177	6	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:3:1:	3:4:1:	3:4:1:	N[6]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)2(CCH)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CH)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CH)(H)	C[6](N[6]C[6,6a]H)2(CCH)(H){3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CH)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CH)(H){2|H<1>,3|C<3>}	106.9540	0.000	1	106.9540	0.000	1	106.9540	0.000	1	106.4660	0.177	6	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:3:1:	3:4:1:	3:4:1:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)2(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6](N[6]C[6,6a]H)2(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,5|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(H){2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(H){2|H<1>,5|C<3>}	106.2755	0.378	4	106.2755	0.143	4	106.2755	0.143	4	106.4660	0.177	6	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:3:1:	3:4:1:	3:4:4:	N[6]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:C-4:	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CC[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CH3)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CC[6a]C)(H){1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CH3){1|H<1>,2|C<3>}	109.1560	0.000	1	109.1560	0.000	1	109.1560	0.000	1	109.1560	0.000	1	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:3:1:	3:4:1:	4:4:1:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|N<3>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(H){1|H<1>,4|C<3>}	111.8060	0.000	1	111.8060	0.000	1	111.8060	0.000	1	111.8060	0.000	1	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:3:1:	3:4:1:	4:4:4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]C[6]S)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(SC[6a]OO)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]C[6]S)(H){3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|S<4>,3|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(SC[6a]OO){1|H<1>,1|N<2>,3|C<3>}	109.3470	0.000	1	109.3470	0.000	1	109.3470	0.000	1	109.7470	0.320	2	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:3:1:	3:4:1:	4:4:4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]S)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(SC[6a]OO)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]S)(H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(SC[6a]OO){1|H<1>,4|C<3>}	110.1470	0.000	1	110.1470	0.000	1	110.1470	0.000	1	109.7470	0.320	2	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:3:1:	4:3:1:	4:3:1:	C[5]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:	C[6](C[5]N[5]2)(N[6]N[6]H)2(H)	N[6](C[6]C[5]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[5]N[6]H)(N[6]C[6]C)(H)	C[6](C[5]N[5]2)(N[6]N[6]H)2(H){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[5]N[6]H)(N[6]C[6]C)(H){1|H<1>,1|O<1>,3|N<3>}	N[6](C[6]C[5]N[6]H)(N[6]C[6]C)(H){1|H<1>,1|O<1>,3|N<3>}	115.2230	0.000	1	115.2230	0.000	1	115.2230	0.000	1	112.8992	2.054	8	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:3:1:	4:3:1:	4:3:1:	C[5a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:	C[6](C[5a]N[5a]2)(N[6]N[6]H)2(H)	N[6](C[6]C[5a]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[5a]N[6]H)(N[6]C[6]C)(H)	C[6](C[5a]N[5a]2)(N[6]N[6]H)2(H){1|H<1>,2|C<4>,3|C<3>}	N[6](C[6]C[5a]N[6]H)(N[6]C[6]C)(H){1|H<1>,1|N<2>,1|O<1>,2|N<3>}	N[6](C[6]C[5a]N[6]H)(N[6]C[6]C)(H){1|H<1>,1|N<2>,1|O<1>,2|N<3>}	112.8190	0.000	1	112.8160	0.000	2	112.8160	0.000	2	112.8992	2.054	8	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:3:1:	4:3:1:	4:3:1:	C[5a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:	C[6](C[5a]N[5a]2)(N[6]N[6]H)2(H)	N[6](C[6]C[5a]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[5a]N[6]H)(N[6]C[6]C)(H)	C[6](C[5a]N[5a]2)(N[6]N[6]H)2(H){1|H<1>,2|C<4>,3|C<3>}	N[6](C[6]C[5a]N[6]H)(N[6]C[6]C)(H){1|H<1>,1|N<2>,1|S<1>,2|N<3>}	N[6](C[6]C[5a]N[6]H)(N[6]C[6]C)(H){1|H<1>,1|N<2>,1|S<1>,2|N<3>}	112.8130	0.000	1	112.8160	0.000	2	112.8160	0.000	2	112.8992	2.054	8	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:3:1:	4:3:1:	4:3:1:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:	C[6](C[6a]C[6a,6a]C[6a])(N[6]N[6]H)2(H)	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]N[6]H)2(H){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	113.2400	0.000	1	113.2400	0.000	1	112.4678	2.009	5	112.8992	2.054	8	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:3:1:	4:3:1:	4:3:1:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:	C[6](C[6a]C[6a]2)(N[6]N[6]H)2(H)	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(N[6]N[6]H)2(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	111.3550	0.000	1	111.4570	0.021	2	112.4678	2.009	5	112.8992	2.054	8	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:3:1:	4:3:1:	4:3:1:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:	C[6](C[6a]C[6a]2)(N[6]N[6]H)2(H)	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(N[6]N[6]H)2(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	111.5590	0.000	1	111.4570	0.021	2	112.4678	2.009	5	112.8992	2.054	8	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:3:1:	4:3:1:	4:3:1:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:	C[6](C[6a]C[6a]N[6a])(N[6]N[6]H)2(H)	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)	C[6](C[6a]C[6a]N[6a])(N[6]N[6]H)2(H){1|H<1>,2|C<4>,3|C<3>}	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<1>}	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<1>}	114.6080	0.000	1	114.6080	0.000	1	112.4678	2.009	5	112.8992	2.054	8	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:3:1:	4:3:1:	4:3:1:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:	C[6](C[6a]N[6a]2)(N[6]N[6]H)2(H)	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)	C[6](C[6a]N[6a]2)(N[6]N[6]H)2(H){2|C<4>,3|C<3>}	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|S<1>,2|N<2>}	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|S<1>,2|N<2>}	111.5770	0.000	1	111.5770	0.000	1	112.4678	2.009	5	112.8992	2.054	8	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:3:1:	4:3:2:	4:3:2:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:O[6]-2:	C[6]-4:C[6]-3:O-2:	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(N[6]C[6]O)(H)	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])	N[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(OC)	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(N[6]C[6]O)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6]){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(OC){1|O<2>,2|C<4>,3|C<3>}	104.6990	0.000	1	104.6990	0.000	1	104.6990	0.000	1	104.6990	0.000	1	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:3:1:	4:3:2:	4:4:4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:O[6]-2:	C[6]-4:C[6]-4:S-4:	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(N[6]C[6]S)(H)	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])	N[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(SO3)	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(N[6]C[6]S)(H){2|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6]){1|S<4>,2|H<1>,3|C<4>,4|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(SO3){1|O<2>,2|C<4>,3|C<3>}	104.7350	0.000	2	104.7350	0.000	2	104.7350	0.000	2	104.7350	0.000	2	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:3:1:	4:4:1:	4:4:1:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6a]C[6a]2)(N[6]C[6]H)2(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)2(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){1|H<1>,2|C<3>,3|C<4>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){1|H<1>,2|C<3>,3|C<4>}	115.1540	0.000	1	115.1540	0.000	1	115.1540	0.000	1	115.1540	0.000	1	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:3:1:	4:4:4:	4:2:4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:O[6]-2:C-4:	C[6](C[6a]C[6a]2)(N[6]C[6]S)(N[6]O[6]C)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(SC[6a]OO)	N[6](C[6]C[6a]N[6]H)(O[6]C[6])(CH3)	C[6](C[6a]C[6a]2)(N[6]C[6]S)(N[6]O[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[6](C[6]C[6a]N[6]H)(O[6]C[6])(CH3){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	114.4920	0.000	1	114.4920	0.000	1	113.6730	1.342	2	113.6730	1.342	2	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:3:1:	4:4:4:	4:2:4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:O[6]-2:C-4:	C[6](C[6a]C[6a]2)(N[6]C[6]S)(N[6]O[6]C)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(SC[6a]OO)	N[6](C[6]C[6a]N[6]H)(O[6]C[6])(CH3)	C[6](C[6a]C[6a]2)(N[6]C[6]S)(N[6]O[6]C)(H){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[6](C[6]C[6a]N[6]H)(O[6]C[6])(CH3){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	112.8540	0.000	1	112.8540	0.000	1	113.6730	1.342	2	113.6730	1.342	2	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:3:1:	4:4:4:	4:4:1:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,2|C<3>,6|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	113.2290	0.000	1	113.2290	0.000	1	113.0945	0.036	2	113.0945	0.036	2	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:3:1:	4:4:4:	4:4:1:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:H-1:	C[6](C[6a]C[6a]N[6a])(N[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,2|C<3>,5|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,4|C<4>}	112.9600	0.000	1	112.9600	0.000	1	113.0945	0.036	2	113.0945	0.036	2	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:3:1:	4:4:4:	4:4:4:	C[5a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:C-4:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]C)2(H)	N[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(CC[5a]HH)	N[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(CC[5a]HH)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]C)2(H){1|C<4>,2|C<3>,6|H<1>}	N[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(CC[5a]HH){1|C<3>,1|N<3>,4|C<4>}	N[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(CC[5a]HH){1|C<3>,1|N<3>,4|C<4>}	107.0630	0.000	1	107.0630	0.000	1	107.4300	0.269	2	109.3263	2.508	6	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:3:1:	4:4:4:	4:4:4:	C[5a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:C-4:	C[6](C[5a]C[5a]S[5a])(N[6]C[6]C)2(H)	N[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(CC[5a]HH)	N[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(CC[5a]HH)	C[6](C[5a]C[5a]S[5a])(N[6]C[6]C)2(H){1|C<4>,2|C<3>,5|H<1>}	N[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(CC[5a]HH){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	N[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(CC[5a]HH){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	107.7970	0.000	1	107.7970	0.000	1	107.4300	0.269	2	109.3263	2.508	6	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:3:1:	4:4:4:	4:4:4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:C-4:	C[6](C[6a]C[6a]2)(N[6]C[6]C)2(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6a]C[6a]2)(N[6]C[6]C)2(H){1|C<4>,2|C<3>,6|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|C<4>,2|H<1>}	110.4560	0.000	1	110.4560	0.000	1	110.2745	0.494	4	109.3263	2.508	6	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:3:1:	4:4:4:	4:4:4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:C-4:	C[6](C[6a]C[6a]N[6a])(N[6]C[6]C)2(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]C)2(H){1|C<4>,2|C<3>,5|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	110.6940	0.238	2	110.6940	0.056	2	110.2745	0.494	4	109.3263	2.508	6	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:3:1:	4:4:4:	4:4:4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:C-4:	C[6](C[6a]C[6a]N[6a])(N[6]C[6]C)2(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]C)2(H){1|C<4>,2|C<3>,5|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	109.2540	0.000	1	109.2540	0.000	1	110.2745	0.494	4	109.3263	2.508	6	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:3:3:	3:4:1:	4:3:1:	C[5a]-3:N[6]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[5a]C[5a]O[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6a]N[6])(H)	N[6](C[6]C[5a]C[6a]N[6])(C[6]C[6,6a]O)(H)	C[6](C[5a]C[5a]O[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H){1|O<1>,3|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6a]N[6])(H){1|O<2>,2|H<1>,6|C<3>}	N[6](C[6]C[5a]C[6a]N[6])(C[6]C[6,6a]O)(H){1|H<1>,1|O<2>,5|C<3>}	106.7220	0.000	1	106.7220	0.000	1	106.7220	0.000	1	106.7220	0.000	1	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:3:3:	4:4:1:	4:4:1:	C[6a]-3:C[6a]-3:N[6]-3:N[6]-3:	C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6]C[6]H)2	N[6](C[6]C[6a]2N[6])(C[6]C[6]HH)(H)	N[6](C[6]C[6a]2N[6])(C[6]C[6]HH)(H)	C[6](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6]C[6]H)2{1|C<4>,4|C<3>,7|H<1>}	N[6](C[6]C[6a]2N[6])(C[6]C[6]HH)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]2N[6])(C[6]C[6]HH)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	111.4820	0.000	1	111.4820	0.000	1	111.1993	0.098	3	111.1993	0.098	3	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:3:3:	4:4:1:	4:4:1:	C[6a]-3:C[6a]-3:N[6]-3:N[6]-3:	C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6a]C[6a]N[6a])2(N[6]C[6]H)2	N[6](C[6]C[6a]2N[6])(C[6]C[6]HH)(H)	N[6](C[6]C[6a]2N[6])(C[6]C[6]HH)(H)	C[6](C[6a]C[6a]N[6a])2(N[6]C[6]H)2{1|C<4>,4|C<3>,6|H<1>}	N[6](C[6]C[6a]2N[6])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|N<2>,3|H<1>}	N[6](C[6]C[6a]2N[6])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|N<2>,3|H<1>}	110.8640	0.000	1	111.0580	0.075	2	111.1993	0.098	3	111.1993	0.098	3	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:3:3:	4:4:1:	4:4:1:	C[6a]-3:C[6a]-3:N[6]-3:N[6]-3:	C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6a]C[6a]N[6a])2(N[6]C[6]H)2	N[6](C[6]C[6a]2N[6])(C[6]C[6]HH)(H)	N[6](C[6]C[6a]2N[6])(C[6]C[6]HH)(H)	C[6](C[6a]C[6a]N[6a])2(N[6]C[6]H)2{1|C<4>,4|C<3>,6|H<1>}	N[6](C[6]C[6a]2N[6])(C[6]C[6]HH)(H){1|H<1>,2|C<3>,2|N<2>,3|C<4>}	N[6](C[6]C[6a]2N[6])(C[6]C[6]HH)(H){1|H<1>,2|C<3>,2|N<2>,3|C<4>}	111.2520	0.000	1	111.0580	0.075	2	111.1993	0.098	3	111.1993	0.098	3	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:3:4:	4:4:1:	4:4:1:	C[6a]-3:N[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6a]C[6a]2)(N[6]C[6]H)2(CF3)	N[6](C[6]C[6a]N[6]C)(C[6]C[6]HH)(H)	N[6](C[6]C[6a]N[6]C)(C[6]C[6]HH)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)2(CF3){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	N[6](C[6]C[6a]N[6]C)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6a]N[6]C)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	114.6070	0.000	1	114.6070	0.000	1	111.6455	2.505	6	111.6455	2.505	6	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:3:4:	4:4:1:	4:4:1:	C[6a]-3:N[6]-3:N[6]-3:C-4:	C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)2(CH3)	N[6](C[6]C[6a]N[6]C)(C[6]C[6]HH)(H)	N[6](C[6]C[6a]N[6]C)(C[6]C[6]HH)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)2(CH3){1|C<4>,2|C<3>,5|H<1>}	N[6](C[6]C[6a]N[6]C)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	N[6](C[6]C[6a]N[6]C)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	111.0532	0.707	5	111.0532	0.500	5	111.6455	2.505	6	111.6455	2.505	6	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:4:1:	4:3:4:	4:3:4:	N[6]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:	C[6](N[6]C[6a]C[6])2(C[6]N[6]2H)(H)	N[6](C[6]C[6]N[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	N[6](C[6]C[6]N[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])2(C[6]N[6]2H)(H){3|C<4>,4|H<1>,6|C<3>}	N[6](C[6]C[6]N[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|N<3>,3|C<3>,3|C<4>,3|H<1>}	N[6](C[6]C[6]N[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|N<3>,3|C<3>,3|C<4>,3|H<1>}	108.3240	0.000	1	108.3240	0.000	1	108.3240	0.000	1	107.5265	1.272	2	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:4:1:	4:3:4:	4:3:4:	N[6]-3:N[6]-3:Si-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-4:	C[6](N[6]C[6a]C[6])2(SiC[6a]HH)(H)	N[6](C[6]N[6]SiH)(C[6a]C[6a]2)(C[6]C[6]HH)	N[6](C[6]N[6]SiH)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](N[6]C[6a]C[6])2(SiC[6a]HH)(H){1|C<4>,4|C<3>,4|H<1>}	N[6](C[6]N[6]SiH)(C[6a]C[6a]2)(C[6]C[6]HH){2|H<1>,3|C<3>,3|C<4>}	N[6](C[6]N[6]SiH)(C[6a]C[6a]2)(C[6]C[6]HH){2|H<1>,3|C<3>,3|C<4>}	106.7290	0.000	1	106.7290	0.000	1	106.7290	0.000	1	107.5265	1.272	2	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:4:1:	4:4:1:	4:3:2:	N[6]-3:N[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:O-2:	C[6](N[6]C[5,6]H)(N[6]C[6]O)(CF3)(H)	N[6](C[5,6]C[5,6a]C[5]N[6])(C[6]N[6]CH)(H)	N[6](C[6]N[6]CH)(C[6]N[6]O)(OC)	C[6](N[6]C[5,6]H)(N[6]C[6]O)(CF3)(H){1|N<3>,1|O<1>,2|C<3>}	N[6](C[5,6]C[5,6a]C[5]N[6])(C[6]N[6]CH)(H){1|N<3>,1|O<1>,2|O<2>,3|C<3>}	N[6](C[6]N[6]CH)(C[6]N[6]O)(OC){1|C<4>,1|H<1>,1|O<2>}	111.2950	0.000	1	111.2950	0.000	1	111.2950	0.000	1	111.2950	0.000	1	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:4:1:	4:4:4:	4:4:4:	N[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:C[6]-4:S-4:	C[6](N[6]C[6]S)2(CC[6a]CH)(H)	N[6](C[6]C[6]HH)(C[6]N[6]CH)(SC[6a]OO)	N[6](C[6]C[6]HH)(C[6]N[6]CH)(SC[6a]OO)	C[6](N[6]C[6]S)2(CC[6a]CH)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]CH)(SC[6a]OO){1|C<4>,1|S<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]CH)(SC[6a]OO){1|C<4>,1|S<4>,2|H<1>}	112.3630	0.000	1	112.3630	0.000	1	112.3630	0.000	1	110.5330	1.307	5	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:4:1:	4:4:4:	4:4:4:	N[6]-3:N[6]-3:Si-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:C-4:	C[6](N[6]C[6]C)2(SiC3)(H)	N[6](C[6]N[6]SiH)(C[6]N[6]HH)(CH3)	N[6](C[6]N[6]SiH)(C[6]N[6]HH)(CH3)	C[6](N[6]C[6]C)2(SiC3)(H){1|N<3>,4|H<1>}	N[6](C[6]N[6]SiH)(C[6]N[6]HH)(CH3){3|C<4>}	N[6](C[6]N[6]SiH)(C[6]N[6]HH)(CH3){3|C<4>}	109.7600	0.747	2	109.7600	0.558	2	110.0755	0.347	4	110.5330	1.307	5	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:4:1:	4:4:4:	4:4:4:	N[6]-3:N[6]-3:Si-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:C-4:	C[6](N[6]C[6]C)2(SiC[6]CC)(H)	N[6](C[6]N[6]SiH)(C[6]N[6]HH)(CH3)	N[6](C[6]N[6]SiH)(C[6]N[6]HH)(CH3)	C[6](N[6]C[6]C)2(SiC[6]CC)(H){1|N<3>,4|H<1>}	N[6](C[6]N[6]SiH)(C[6]N[6]HH)(CH3){3|C<4>}	N[6](C[6]N[6]SiH)(C[6]N[6]HH)(CH3){3|C<4>}	110.3910	0.293	2	110.3910	0.086	2	110.0755	0.347	4	110.5330	1.307	5	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:4:3:	4:4:1:	4:4:1:	N[6]-3:N[6]-3:C-4:C-3:	C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6](N[6]C[6]H)2(CH3)(CCN)	N[6](C[6]C[6]HH)(C[6]N[6]CC)(H)	N[6](C[6]C[6]HH)(C[6]N[6]CC)(H)	C[6](N[6]C[6]H)2(CH3)(CCN){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]CC)(H){1|H<1>,3|C<4>}	N[6](C[6]C[6]HH)(C[6]N[6]CC)(H){1|H<1>,3|C<4>}	110.8810	0.000	1	110.8810	0.000	1	110.8810	0.000	1	110.8810	0.000	1	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:4:4:	3:4:1:	3:4:1:	N[6]-3:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)2(CH3)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(H)	C[6](N[6]C[6,6a]H)2(CH3)2{3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(H){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(H){2|H<1>,3|C<3>}	106.3220	0.000	1	106.3220	0.000	1	106.3220	0.000	1	106.3220	0.000	1	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:4:4:	3:4:4:	3:4:4:	N[6]-3:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C-4:	C[6,6a]-3:C[6]-4:C-4:	C[6](N[6]C[6,6a]C)2(CCHH)(CH3)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3)	C[6](N[6]C[6,6a]C)2(CCHH)(CH3){3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(CH3){1|C<4>,1|H<1>,3|C<3>}	106.2360	0.000	1	106.2360	0.000	1	106.2360	0.000	1	106.2360	0.000	1	110.4112	5.004	165	112.5289	3.302	1250
466	856	856	6:SP3_SP3_SP3	C[6]	N[6]	N[6]	3:3:4:4:	4:3:1:	4:3:1:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:	C[6](N[6]N[6]H)2(CHHO)2	N[6](C[6]N[6]CC)(N[6]C[6]H)(H)	N[6](C[6]N[6]CC)(N[6]C[6]H)(H)	C[6](N[6]N[6]H)2(CHHO)2{1|C<4>,2|H<1>}	N[6](C[6]N[6]CC)(N[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<4>}	N[6](C[6]N[6]CC)(N[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<4>}	114.0100	0.000	1	114.0100	0.000	1	114.0100	0.000	1	114.0100	0.000	1	110.4112	5.004	165	112.5289	3.302	1250
466	856	863	0:SP3_SP2_SP3	C[6,6]	N[6]	O	4:3:3:1:	4:3:2:	4:	C[6,6]-4:C[6]-3:N[6]-3:O-1:	C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]H)(N[6]C[6]O)(O)	N[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]O)(OC)	O(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]H)(N[6]C[6]O)(O){1|O<1>,3|C<3>,3|H<1>}	N[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]O)(OC){1|C<4>,2|H<1>,3|C<3>}	O(C[6,6]C[6,6]C[6]N[6])	111.6760	0.000	1	111.6760	0.000	1	111.6760	0.000	1	111.6760	0.000	1	111.6760	0.000	1	111.6760	0.000	1
466	856	880	0:SP3_SP3_SP3	C[6]	N[6]	Si	3:3:4:1:	4:3:4:	3:4:1:1:	N[6]-3:N[6]-3:Si-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](N[6]C[6a]C[6])2(SiC[6a]HH)(H)	N[6](C[6]N[6]SiH)(C[6a]C[6a]2)(C[6]C[6]HH)	Si(C[6a]C[6a]2)(C[6]N[6]2H)(H)2	C[6](N[6]C[6a]C[6])2(SiC[6a]HH)(H){1|C<4>,4|C<3>,4|H<1>}	N[6](C[6]N[6]SiH)(C[6a]C[6a]2)(C[6]C[6]HH){2|H<1>,3|C<3>,3|C<4>}	Si(C[6a]C[6a]2)(C[6]N[6]2H)(H)2	111.8325	1.966	2	111.8325	3.867	2	111.8325	3.867	2	111.8325	3.867	2	113.9316	12.306	11	113.9316	12.306	11
466	856	880	0:SP3_SP3_SP3	C[6]	N[6]	Si	3:3:4:1:	4:4:4:	4:4:4:4:	N[6]-3:N[6]-3:Si-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C-4:C-4:C-4:	C[6](N[6]C[6]C)2(SiC3)(H)	N[6](C[6]N[6]SiH)(C[6]N[6]HH)(CH3)	Si(C[6]N[6]2H)(CGaHH)(CH3)2	C[6](N[6]C[6]C)2(SiC3)(H){1|N<3>,4|H<1>}	N[6](C[6]N[6]SiH)(C[6]N[6]HH)(CH3){3|C<4>}	Si(C[6]N[6]2H)(CGaHH)(CH3)2	114.4350	7.362	2	114.4350	54.205	2	114.1285	22.374	4	113.7106	10.628	8	113.9316	12.306	11	113.9316	12.306	11
466	856	880	0:SP3_SP3_SP3	C[6]	N[6]	Si	3:3:4:1:	4:4:4:	4:4:4:4:	N[6]-3:N[6]-3:Si-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C-4:C-4:C-4:	C[6](N[6]C[6]C)2(SiC3)(H)	N[6](C[6]N[6]SiH)(C[6]N[6]HH)(CH3)	Si(C[6]N[6]2H)(CH3)3	C[6](N[6]C[6]C)2(SiC3)(H){1|N<3>,4|H<1>}	N[6](C[6]N[6]SiH)(C[6]N[6]HH)(CH3){3|C<4>}	Si(C[6]N[6]2H)(CH3)3	113.8220	3.541	2	113.8220	12.540	2	114.1285	22.374	4	113.7106	10.628	8	113.9316	12.306	11	113.9316	12.306	11
466	856	880	0:SP3_SP3_SP3	C[6]	N[6]	Si	3:3:4:1:	4:4:4:	4:4:4:4:	N[6]-3:N[6]-3:Si-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:C-4:C-4:	C[6](N[6]C[6]C)2(SiC[6]CC)(H)	N[6](C[6]N[6]SiH)(C[6]N[6]HH)(CH3)	Si(C[6]N[6]2H)2(CH3)2	C[6](N[6]C[6]C)2(SiC[6]CC)(H){1|N<3>,4|H<1>}	N[6](C[6]N[6]SiH)(C[6]N[6]HH)(CH3){3|C<4>}	Si(C[6]N[6]2H)2(CH3)2	113.2927	1.399	4	113.2927	1.958	4	113.2927	1.958	4	113.7106	10.628	8	113.9316	12.306	11	113.9316	12.306	11
466	856	880	0:SP3_SP3_SP3	C[6]	N[6]	Si	4:3:4:1:	4:4:4:	4:4:4:4:	N[6]-4:N[6]-3:Si-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C-4:C-4:C-4:	C[6](N[6]C[6]AlC)(N[6]C[6]C)(SiC3)(H)	N[6](C[6]N[6]SiH)(C[6]N[6]HH)(CH3)	Si(C[6]N[6]2H)(CAlHH)(CH3)2	C[6](N[6]C[6]AlC)(N[6]C[6]C)(SiC3)(H){1|N<3>,4|H<1>}	N[6](C[6]N[6]SiH)(C[6]N[6]HH)(CH3){1|Al<4>,3|C<4>}	Si(C[6]N[6]2H)(CAlHH)(CH3)2	119.8980	0.000	1	119.8980	0.000	1	119.8980	0.000	1	119.8980	0.000	1	113.9316	12.306	11	113.9316	12.306	11
466	856	893	0:SP3_SP2_SP2	C[6]	N[6]	O	3:3:2:1:	3:4:4:	4:3:	C[6]-3:N[6]-3:O-2:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:C-3:	C[6](C[6]N[5,6]O)(N[6]C[6]C)(OC)(H)	N[6](C[6]C[5,6]O)(C[6]C[6]HO)(CH3)	O(C[6]C[6]N[6]H)(CCO)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(OC)(H){1|O<1>,2|C<4>}	N[6](C[6]C[5,6]O)(C[6]C[6]HO)(CH3){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	O(C[6]C[6]N[6]H)(CCO)	106.8880	0.000	1	106.8880	0.000	1	106.8880	0.000	1	106.8880	0.000	1	108.0450	6.814	5	108.0450	6.814	5
466	856	893	0:SP3_SP2_SP2	C[6]	N[6]	O	3:3:2:1:	4:3:4:	4:3:	C[6]-3:N[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C-3:	C[6](C[6]N[6]O)(N[6]C[6]C)(OC)(H)	N[6](C[6]C[6]HO)(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6]H)(CCO)	C[6](C[6]N[6]O)(N[6]C[6]C)(OC)(H){1|O<1>,2|C<4>}	N[6](C[6]C[6]HO)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[6]N[6]H)(CCO)	107.5160	0.000	1	107.5160	0.000	1	107.5160	0.000	1	107.5160	0.000	1	108.0450	6.814	5	108.0450	6.814	5
466	856	893	0:SP3_SP2_SP2	C[6]	N[6]	O	3:3:2:1:	4:4:3:	4:3:	C[5a,6]-3:N[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(OC)(H)	N[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(CC[5]O)	O(C[6]C[5a,6]N[6]H)(CC[5]O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(CC[5]O){1|C<3>,1|N<3>,2|H<1>}	O(C[6]C[5a,6]N[6]H)(CC[5]O)	111.3550	0.000	1	111.3550	0.000	1	111.3550	0.000	1	110.5865	1.181	2	108.0450	6.814	5	108.0450	6.814	5
466	856	893	0:SP3_SP2_SP2	C[6]	N[6]	O	3:3:2:1:	4:4:3:	4:3:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(OC)(H)	N[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CC[5]O)	O(C[6]C[6,6a]N[6]H)(CC[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CC[5]O){2|C<3>,2|H<1>}	O(C[6]C[6,6a]N[6]H)(CC[5]O)	109.8180	0.000	1	109.8180	0.000	1	109.8180	0.000	1	110.5865	1.181	2	108.0450	6.814	5	108.0450	6.814	5
466	856	893	0:SP3_SP2_SP2	C[6]	N[6]	O	4:3:2:1:	4:2:3:	4:3:	C[5,6]-4:N[6]-3:O-2:H-1:	C[6]-4:N[6]-2:C-3:	C[6]-4:C-3:	C[6](C[5,6]C[5,5,6]C[5,6a]H)(N[6]N[6]C)(OC)(H)	N[6](C[6]C[5,6]HO)(N[6]C[5,6])(CCO)	O(C[6]C[5,6]N[6]H)(CCO)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(N[6]N[6]C)(OC)(H){1|N<3>,4|C<3>}	N[6](C[6]C[5,6]HO)(N[6]C[5,6])(CCO){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O(C[6]C[5,6]N[6]H)(CCO)	104.6480	0.000	1	104.6480	0.000	1	104.6480	0.000	1	104.6480	0.000	1	108.0450	6.814	5	108.0450	6.814	5
466	856	893	0:SP3_SP2_SP3	C[3x6]	N[6,6]	O	4:3:3:2:	4:3:4:	4:1:	C[6,6]-4:C[6,6]-3:N[6,6]-3:O-2:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:H-1:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(OH)	N[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]O)(CC[6a]HH)	O(C[3x6]C[6,6]2N[6,6])(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(OH){1|O<1>,2|C<4>,2|H<1>}	N[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	O(C[3x6]C[6,6]2N[6,6])(H)	111.9800	0.000	1	111.9800	0.000	1	111.9800	0.000	1	111.9800	0.000	1	111.9800	0.000	1	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6,6]	N[6,6]	O	3:3:3:2:	4:4:3:	4:1:	C[6]-3:C[6]-3:N[6,6]-3:O-2:	C[6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:H-1:	C[6,6](C[6]C[5a,6]O)(C[6]N[5,6]O)(N[6,6]C[6]2)(OH)	N[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2O)(C[6]C[5,6]O)	O(C[6,6]N[6,6]C[6]2)(H)	C[6,6](C[6]C[5a,6]O)(C[6]N[5,6]O)(N[6,6]C[6]2)(OH){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2O)(C[6]C[5,6]O){1|C<3>,1|C<4>,1|H<1>,2|N<3>,2|O<1>}	O(C[6,6]N[6,6]C[6]2)(H)	110.9360	0.000	1	110.9360	0.000	1	110.9360	0.000	1	110.9360	0.000	1	107.1430	7.104	12	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6,6]	N[6,6]	O	3:4:3:2:	3:4:3:	4:1:	N[6,6]-3:C[6]-4:C[6]-3:O-2:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:H-1:	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6a]C[6]N)(C[6]N[6]O)(OH)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]O)	O(C[6,6]N[6,6]C[6]2)(H)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6a]C[6]N)(C[6]N[6]O)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]O){1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	O(C[6,6]N[6,6]C[6]2)(H)	107.5920	0.000	1	107.5920	0.000	1	108.1240	0.566	2	108.1240	0.566	2	107.1430	7.104	12	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6,6]	N[6,6]	O	3:4:3:2:	3:4:3:	4:1:	N[6,6]-3:C[6]-4:C[6]-3:O-2:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:H-1:	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6a]C[6]O)(C[6]N[6]O)(OH)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]O)	O(C[6,6]N[6,6]C[6]2)(H)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6a]C[6]O)(C[6]N[6]O)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	O(C[6,6]N[6,6]C[6]2)(H)	108.6560	0.000	1	108.6560	0.000	1	108.1240	0.566	2	108.1240	0.566	2	107.1430	7.104	12	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6,6]	N[6,6]	O	3:4:4:2:	3:4:3:	4:1:	N[6,6]-3:C[6]-4:C[6]-4:O-2:	C[5a,6]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:H-1:	C[6,6](N[6,6]C[5a,6]C[6])(C[6]C[6]HH)2(OH)	N[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]2O)(C[6]C[6]O)	O(C[6,6]N[6,6]C[6]2)(H)	C[6,6](N[6,6]C[5a,6]C[6])(C[6]C[6]HH)2(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	N[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]2O)(C[6]C[6]O){1|C<3>,1|N<2>,2|C<4>,7|H<1>}	O(C[6,6]N[6,6]C[6]2)(H)	108.4925	3.624	2	108.4925	13.133	2	108.4925	13.133	2	108.4925	13.133	2	107.1430	7.104	12	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6,6]	N[6,6]	O	4:3:3:2:	4:4:3:	4:1:	C[6]-4:C[6]-3:N[6,6]-3:O-2:	C[6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:H-1:	C[6,6](C[6]C[5a,6]HO)(C[6]N[5,6]O)(N[6,6]C[6]2)(OH)	N[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2O)(C[6]C[5,6]O)	O(C[6,6]N[6,6]C[6]2)(H)	C[6,6](C[6]C[5a,6]HO)(C[6]N[5,6]O)(N[6,6]C[6]2)(OH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	N[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2O)(C[6]C[5,6]O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	O(C[6,6]N[6,6]C[6]2)(H)	111.3030	0.000	1	111.3030	0.000	1	111.3030	0.000	1	111.3030	0.000	1	107.1430	7.104	12	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6,6]	N[6,6]	O	4:3:4:2:	4:3:4:	4:1:	C[6,6]-4:N[6,6]-3:C[6]-4:O-2:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(OH)	N[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]O)(C[6]C[6]HH)	O(C[6,6]C[6,6]N[6,6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|N<3>,2|O<1>,5|H<1>}	N[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	O(C[6,6]C[6,6]N[6,6]C[6])(H)	104.7627	0.160	3	105.0407	0.133	6	105.0407	0.133	6	105.0407	0.133	6	107.1430	7.104	12	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6,6]	N[6,6]	O	4:3:4:2:	4:3:4:	4:1:	C[6,6]-4:N[6,6]-3:C[6]-4:O-2:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(OH)	N[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]O)(C[6]C[6]HH)	O(C[6,6]C[6,6]N[6,6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(OH){1|N<3>,2|C<4>,2|O<1>,6|H<1>}	N[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]O)(C[6]C[6]HH){1|C<3>,3|C<4>,6|H<1>}	O(C[6,6]C[6,6]N[6,6]C[6])(H)	105.3187	0.276	3	105.0407	0.133	6	105.0407	0.133	6	105.0407	0.133	6	107.1430	7.104	12	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6,6]	N[6]	O	3:3:3:2:	4:3:4:	4:2:	C[6,6a]-3:N[6,6]-3:N[6]-3:O-2:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:O-2:	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(OO)	N[6](C[6,6]C[6,6a]N[6,6]O)(C[6]C[6,6a]O)(CH3)	O(C[6,6]C[6,6a]N[6,6]N[6])(OH)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(OO){1|H<1>,2|O<1>,5|C<3>}	N[6](C[6,6]C[6,6a]N[6,6]O)(C[6]C[6,6a]O)(CH3){5|C<3>}	O(C[6,6]C[6,6a]N[6,6]N[6])(OH)	101.4200	0.000	1	101.4200	0.000	1	101.4200	0.000	1	101.4200	0.000	1	106.9830	23.609	3	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6,6]	N[6]	O	4:4:3:2:	4:3:1:	4:1:	C[6,6]-4:C[6]-4:N[6]-3:O-2:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(OH)	N[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(H)	O(C[6,6]C[6,6]C[6]N[6])(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(OH){1|O<1>,2|C<4>,6|H<1>}	N[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(H){3|C<4>,5|H<1>}	O(C[6,6]C[6,6]C[6]N[6])(H)	109.1330	0.000	1	109.1330	0.000	1	109.1330	0.000	1	109.1330	0.000	1	106.9830	23.609	3	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6,6]	N[6]	O	4:4:3:2:	4:3:1:	4:2:	C[6,6]-4:C[6]-4:N[6]-3:O-2:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:O-2:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(OO)	N[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(H)	O(C[6,6]C[6,6]C[6]N[6])(OH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(OO){1|O<1>,2|C<4>,6|H<1>}	N[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(H){3|C<4>,5|H<1>}	O(C[6,6]C[6,6]C[6]N[6])(OH)	110.3960	0.000	1	110.3960	0.000	1	110.3960	0.000	1	110.3960	0.000	1	106.9830	23.609	3	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6,6]	O	3:4:2:1:	3:3:4:	4:4:	N[6,6]-3:C[6]-4:O-2:H-1:	C[6]-3:N[6,6]-3:C[6]-4:	C[6]-4:C-4:	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(OC)(H)	N[6,6](C[6]C[5,6]O)(N[6,6]C[6]2)(C[6]C[6]HO)	O(C[6]N[6,6]C[6]H)(CH3)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6,6](C[6]C[5,6]O)(N[6,6]C[6]2)(C[6]C[6]HO){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	O(C[6]N[6,6]C[6]H)(CH3)	111.5620	0.000	1	111.5620	0.000	1	111.5620	0.000	1	111.5620	0.000	1	109.9568	2.007	6	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6,6]	O	3:4:2:1:	3:4:3:	4:4:	N[6,6]-3:C[6]-4:O-2:H-1:	N[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:C-4:	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(OC)(H)	N[6,6](N[6,6]C[6]2)(C[6]C[6]HO)(C[6]C[6]O)	O(C[6]N[6,6]C[6]H)(CH3)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6,6](N[6,6]C[6]2)(C[6]C[6]HO)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	O(C[6]N[6,6]C[6]H)(CH3)	111.0160	0.185	2	111.0160	0.034	2	111.0160	0.034	2	111.0160	0.034	2	109.9568	2.007	6	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6,6]	O	3:4:4:2:	3:4:3:	4:1:	N[6,6]-3:C[6]-4:C-4:O-2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:H-1:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH)	N[6,6](C[6,6]C[5a,6]N[6])(C[6]C[6]CO)(C[6]N[6]H)	O(C[6]N[6,6]C[6]C)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6,6](C[6,6]C[5a,6]N[6])(C[6]C[6]CO)(C[6]N[6]H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	O(C[6]N[6,6]C[6]C)(H)	108.1090	0.000	1	108.1090	0.000	1	108.7157	0.280	3	108.7157	0.280	3	109.9568	2.007	6	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6,6]	O	3:4:4:2:	3:4:3:	4:1:	N[6,6]-3:C[6]-4:C-4:O-2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:H-1:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]CO)(C[6]C[6]H)	O(C[6]N[6,6]C[6]C)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]CO)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(C[6]N[6,6]C[6]C)(H)	109.0800	0.000	1	109.0190	0.007	2	108.7157	0.280	3	108.7157	0.280	3	109.9568	2.007	6	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6,6]	O	3:4:4:2:	3:4:3:	4:1:	N[6,6]-3:C[6]-4:C-4:O-2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:H-1:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]CO)(C[6]C[6]H)	O(C[6]N[6,6]C[6]C)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)(OH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]CO)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(C[6]N[6,6]C[6]C)(H)	108.9580	0.000	1	109.0190	0.007	2	108.7157	0.280	3	108.7157	0.280	3	109.9568	2.007	6	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	3:3:2:1:	3:4:2:	4:4:	N[6]-3:N[6]-3:O-2:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6]-4:C-4:	C[6](N[6]C[6a]N[6])2(OC)(H)	N[6](C[6a]C[6a]N[6a])(C[6]N[6]HO)(N[6]C[6])	O(C[6]N[6]2H)(CH3)	C[6](N[6]C[6a]N[6])2(OC)(H){1|N<2>,5|C<3>}	N[6](C[6a]C[6a]N[6a])(C[6]N[6]HO)(N[6]C[6]){1|H<1>,1|N<3>,4|C<3>}	O(C[6]N[6]2H)(CH3)	106.5850	0.000	1	106.5850	0.000	1	106.5850	0.000	1	106.5850	0.000	1	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	3:3:2:1:	3:4:4:	4:1:	C[6]-3:N[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(OH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)	O(C[6]C[6]N[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(OH)(H){1|C<4>,1|N<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3){1|H<1>,1|N<2>,3|C<3>}	O(C[6]C[6]N[6]H)(H)	113.7260	0.000	1	113.7260	0.000	1	113.7260	0.000	1	111.5680	9.314	2	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	3:3:2:1:	3:4:4:	4:1:	C[6]-3:N[6]-3:O-2:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(OH)(H)	N[6](C[6]C[6]N[6])(C[6]C[6]HO)(CH3)	O(C[6]C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(OH)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]N[6])(C[6]C[6]HO)(CH3){1|Pt<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	O(C[6]C[6]N[6]H)(H)	109.4100	0.000	1	109.4100	0.000	1	109.4100	0.000	1	111.5680	9.314	2	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	3:3:2:1:	3:4:4:	4:4:	C[6]-3:N[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(OC)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)	O(C[6]C[6]N[6]H)(CCHH)	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(OC)(H){1|C<4>,1|N<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3){1|H<1>,1|N<2>,3|C<3>}	O(C[6]C[6]N[6]H)(CCHH)	114.1365	0.415	2	114.1365	0.172	2	114.2710	0.140	3	114.2710	0.140	3	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	3:3:2:1:	3:4:4:	4:4:	C[6]-3:N[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(OC)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)	O(C[6]C[6]N[6]H)(CH3)	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(OC)(H){1|C<4>,1|N<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3){1|H<1>,1|N<2>,3|C<3>}	O(C[6]C[6]N[6]H)(CH3)	114.5400	0.000	1	114.5400	0.000	1	114.2710	0.140	3	114.2710	0.140	3	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	3:3:2:1:	4:2:3:	4:1:	C[6]-3:N[6]-3:O-2:H-1:	C[6]-4:O[6]-2:C-3:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6])(N[6]O[6]C)(OH)(H)	N[6](C[6]C[6]HO)(O[6]C[6])(CCO)	O(C[6]C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(N[6]O[6]C)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6]HO)(O[6]C[6])(CCO){2|C<3>,2|C<4>}	O(C[6]C[6]N[6]H)(H)	112.1470	0.000	1	112.1470	0.000	1	112.1470	0.000	1	112.1470	0.000	1	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	3:3:2:1:	4:2:3:	4:4:	C[6]-3:N[6]-3:O-2:H-1:	C[6]-4:N[6]-2:C-3:	C[6]-4:C-4:	C[6](C[6]C[6]C)(N[6]N[6]C)(OC)(H)	N[6](C[6]C[6]HO)(N[6]C[6])(CC[6a]O)	O(C[6]C[6]N[6]H)(CC[6a]HH)	C[6](C[6]C[6]C)(N[6]N[6]C)(OC)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]HO)(N[6]C[6])(CC[6a]O){1|C<4>,2|C<3>}	O(C[6]C[6]N[6]H)(CC[6a]HH)	110.2740	0.000	1	110.2740	0.000	1	110.2740	0.000	1	110.2740	0.000	1	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	3:3:2:1:	4:3:1:	4:1:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(OH)(H)	N[6](C[6]C[6,6a]HO)(C[6]C[6]O)(H)	O(C[6]C[6,6a]N[6]H)(H)	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(OH)(H){1|C<4>,1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]HO)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	O(C[6]C[6,6a]N[6]H)(H)	110.8280	0.000	1	110.8280	0.000	1	110.8280	0.000	1	110.8280	0.000	1	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	3:3:2:1:	4:3:1:	4:4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(OC)(H)	N[6](C[6]C[6,6a]HO)(C[6]N[6]H)(H)	O(C[6]C[6,6a]N[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(OC)(H){1|N<3>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HO)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	O(C[6]C[6,6a]N[6]H)(CH3)	110.6070	0.000	1	110.6070	0.000	1	110.6070	0.000	1	110.6070	0.000	1	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	3:3:2:1:	4:3:4:	4:4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(OC)(H)	N[6](C[6]C[6,6a]HO)(C[6]C[6]O)(SC[6a]OO)	O(C[6]C[6,6a]N[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(OC)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6]C[6,6a]HO)(C[6]C[6]O)(SC[6a]OO){1|H<1>,2|C<3>}	O(C[6]C[6,6a]N[6]H)(CH3)	107.1820	0.000	1	107.1820	0.000	1	107.1820	0.000	1	107.1820	0.000	1	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	3:3:2:1:	4:4:3:	4:1:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(OH)(H)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]HO)(COO)	O(C[6]C[6,6a]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(OH)(H){1|C<4>,1|H<1>,4|C<3>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]HO)(COO){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]N[6]H)(H)	112.5010	0.000	1	112.5010	0.000	1	112.5010	0.000	1	112.5010	0.000	1	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	3:3:2:1:	4:4:3:	4:3:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(OC[6a])(H)	N[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(NCC)	O(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(OC[6a])(H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(NCC){2|C<3>,2|H<1>}	O(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)	115.1250	0.000	1	115.1250	0.000	1	115.1250	0.000	1	115.1250	0.000	1	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	3:3:2:1:	4:4:4:	4:4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6]-4:S[6]-4:C-4:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]C)(OC)(H)	N[6](C[6]C[6,6a]HO)(S[6]O[6]OO)(CC[3]HH)	O(C[6]C[6,6a]N[6]H)(CC[3]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]C)(OC)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	N[6](C[6]C[6,6a]HO)(S[6]O[6]OO)(CC[3]HH){2|C<3>}	O(C[6]C[6,6a]N[6]H)(CC[3]HH)	112.7810	0.000	1	112.7810	0.000	1	112.7810	0.000	1	112.7810	0.000	1	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	3:3:2:4:	4:3:1:	4:4:	C[6,6a]-3:N[6]-3:O-2:C-4:	C[6]-4:C[6]-3:H-1:	C[5]-4:C[6]-4:	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(OC[5])(CH3)	N[6](C[6]C[6,6a]CO)(C[6]C[6]O)(H)	O(C[5]C[5,6a]C[5,5]C)(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(OC[5])(CH3){1|C<4>,1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]CO)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	O(C[5]C[5,6a]C[5,5]C)(C[6]C[6,6a]N[6]C)	112.9670	0.000	1	112.9670	0.000	1	112.9670	0.000	1	112.9670	0.000	1	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	3:3:3:2:	3:4:3:	4:4:	N[6]-3:C[6a]-3:C[6]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C-4:	C[6](N[6]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(OC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(C[6a]C[6a]2)	O(C[6]C[6a]C[6]N[6])(CH3)	C[6](N[6]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(OC){1|Zn<4>,1|H<1>,1|N<3>,7|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(C[6a]C[6a]2){1|N<2>,1|N<3>,3|H<1>,6|C<3>}	O(C[6]C[6a]C[6]N[6])(CH3)	110.4000	0.000	1	110.4000	0.000	1	110.4000	0.000	1	110.4000	0.000	1	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	3:3:3:2:	4:3:1:	4:4:	C[6]-3:C[6a]-3:N[6]-3:O-2:	C[6]-4:C[6]-3:H-1:	C[6]-4:C-4:	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]H)(OC)	N[6](C[6]C[6a]C[6]O)(C[6]N[6]S)(H)	O(C[6]C[6a]C[6]N[6])(CH3)	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]H)(OC){1|N<3>,1|S<1>,2|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]O)(C[6]N[6]S)(H){1|H<1>,1|N<2>,3|C<3>}	O(C[6]C[6a]C[6]N[6])(CH3)	109.1870	0.000	1	109.1870	0.000	1	109.1870	0.000	1	109.1870	0.000	1	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	3:3:3:2:	4:3:3:	4:1:	C[6,6a]-3:N[6]-3:C-3:O-2:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN[6]O)(OH)	N[6](C[6]C[6,6a]CO)(C[6a]C[6a]2)(C[6]N[6]O)	O(C[6]C[6,6a]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN[6]O)(OH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[6](C[6]C[6,6a]CO)(C[6a]C[6a]2)(C[6]N[6]O){3|H<1>,4|C<3>}	O(C[6]C[6,6a]N[6]C)(H)	109.8545	0.161	2	109.8545	0.026	2	109.8545	0.026	2	109.8545	0.026	2	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	3:3:4:2:	3:4:1:	4:1:	C[6]-3:N[6]-3:C-4:O-2:	C[6]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[6a]HH)(OH)	N[6](C[6]C[5,6]O)(C[6]C[6]CO)(H)	O(C[6]C[6]N[6]C)(H)	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[6a]HH)(OH){1|O<1>,2|C<4>}	N[6](C[6]C[5,6]O)(C[6]C[6]CO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[6]N[6]C)(H)	106.3710	0.000	1	106.3710	0.000	1	106.3710	0.000	1	106.3710	0.000	1	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	3:3:4:2:	4:3:1:	4:4:	C[6,6a]-3:N[6]-3:C-4:O-2:	C[6]-4:C[6]-3:H-1:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(OC)	N[6](C[6]C[6,6a]CO)(C[6]N[6]O)(H)	O(C[6]C[6,6a]N[6]C)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(OC){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]CO)(C[6]N[6]O)(H){1|C<4>,2|C<3>}	O(C[6]C[6,6a]N[6]C)(CH3)	110.8735	0.641	2	110.8735	0.411	2	108.2854	11.051	5	108.6587	9.676	6	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	3:3:4:2:	4:3:1:	4:4:	C[6,6a]-3:N[6]-3:C-4:O-2:	C[6]-4:C[6]-3:H-1:	C[6]-4:C-4:	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(CCCH)(OC)	N[6](C[6]C[6,6a]CO)(C[6]C[6]O)(H)	O(C[6]C[6,6a]N[6]C)(CH3)	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(CCCH)(OC){1|C<4>,1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]CO)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	O(C[6]C[6,6a]N[6]C)(CH3)	106.5600	3.276	3	106.5600	10.732	3	108.2854	11.051	5	108.6587	9.676	6	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	3:3:4:2:	4:3:1:	4:4:	C[6]-3:N[6]-3:C-4:O-2:	C[6]-4:C[6]-3:H-1:	C[6]-4:C-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HS)(OC)	N[6](C[6]C[6]CO)(C[6]C[6]O)(H)	O(C[6]C[6]N[6]C)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HS)(OC){1|O<1>,2|C<4>}	N[6](C[6]C[6]CO)(C[6]C[6]O)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	O(C[6]C[6]N[6]C)(CH3)	110.5250	0.000	1	110.5250	0.000	1	110.5250	0.000	1	108.6587	9.676	6	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	3:3:4:2:	4:3:4:	4:1:	C[6]-3:N[6]-3:C-4:O-2:	C[6]-4:C[6]-3:C-4:	C[6]-4:H-1:	C[6](C[6]C[6]C)(N[6]C[6]C)(CF3)(OH)	N[6](C[6]C[6]CO)(C[6]C[6]N)(CCHH)	O(C[6]C[6]N[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(CF3)(OH){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]CO)(C[6]C[6]N)(CCHH){3|C<3>}	O(C[6]C[6]N[6]C)(H)	107.6720	0.000	1	107.6720	0.000	1	106.0828	1.254	4	106.0828	1.254	4	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	3:3:4:2:	4:3:4:	4:1:	C[6]-3:N[6]-3:C-4:O-2:	C[6]-4:C[6]-3:C-4:	C[6]-4:H-1:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(OH)	N[6](C[6]C[6]CO)(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6]C)(H)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(OH){1|O<1>,2|C<4>}	N[6](C[6]C[6]CO)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[6]N[6]C)(H)	105.5530	0.444	3	105.5530	0.197	3	106.0828	1.254	4	106.0828	1.254	4	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	3:4:2:1:	3:3:4:	4:1:	N[6]-3:C[6]-4:O-2:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(OH)(H)	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HO)	O(C[6]C[6]N[6]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(OH)(H){1|O<1>,2|C<3>,3|C<4>}	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HO){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	O(C[6]C[6]N[6]H)(H)	109.0200	0.007	2	109.0200	0.000	2	109.0200	0.000	2	109.0200	0.000	2	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	3:4:2:1:	3:3:4:	4:4:	N[6]-3:C[6]-4:O-2:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(OC)(H)	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HO)	O(C[6]C[6]N[6]H)(CCHH)	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(OC)(H){1|O<1>,2|C<3>,3|C<4>}	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HO){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	O(C[6]C[6]N[6]H)(CCHH)	106.5550	0.000	1	106.5550	0.000	1	106.5550	0.000	1	106.5550	0.000	1	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	3:4:2:1:	3:4:3:	4:1:	N[6]-3:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:H-1:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(OH)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)	O(C[6]C[6]N[6]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(OH)(H){2|H<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	O(C[6]C[6]N[6]H)(H)	107.5200	0.000	1	107.5200	0.000	1	107.5200	0.000	1	107.5200	0.000	1	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	3:4:2:1:	3:4:3:	4:4:	N[6]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(OC)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCO)	O(C[6]C[6]N[6]H)(CCHH)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(OC)(H){2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCO){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6]N[6]H)(CCHH)	112.0340	0.000	1	112.0340	0.000	1	111.4550	0.670	2	110.1177	5.701	3	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	3:4:2:1:	3:4:3:	4:4:	N[6]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]NiH)(OC)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO)	O(C[6]C[6]N[6]H)(CCHH)	C[6](N[6]C[6,6a]C)(C[6]C[6]NiH)(OC)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO){1|Ni<4>,1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6]N[6]H)(CCHH)	110.8760	0.000	1	110.8760	0.000	1	111.4550	0.670	2	110.1177	5.701	3	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	3:4:2:1:	3:4:3:	4:4:	N[6]-3:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:C-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(OC)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)	O(C[6]C[6]N[6]H)(CH3)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(OC)(H){2|H<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	O(C[6]C[6]N[6]H)(CH3)	107.4430	0.000	1	107.4430	0.000	1	107.4430	0.000	1	110.1177	5.701	3	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	3:4:2:1:	3:4:4:	4:2:	N[6]-3:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:O-2:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(OO)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HO)2	O(C[6]C[6]N[6]H)(OC[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(OO)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HO)2{1|C<4>,1|F<1>,2|C<3>,5|H<1>}	O(C[6]C[6]N[6]H)(OC[6])	113.0080	1.324	2	113.0080	1.752	2	113.0080	1.752	2	113.0080	1.752	2	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	3:4:3:2:	3:3:4:	4:1:	N[6]-3:C[6]-4:C-3:O-2:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(COO)(OH)	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]CO)	O(C[6]C[6]N[6]C)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(COO)(OH){1|O<1>,2|C<3>,3|C<4>}	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]CO){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	O(C[6]C[6]N[6]C)(H)	109.7440	0.000	1	109.7440	0.000	1	109.7440	0.000	1	109.7440	0.000	1	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	3:4:3:2:	4:3:1:	4:1:	C[6a]-3:C[6]-4:N[6]-3:O-2:	C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(OH)	N[6](C[6]C[6a]C[6]O)(C[6]N[6]S)(H)	O(C[6]C[6a]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(OH){1|N<3>,1|S<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]O)(C[6]N[6]S)(H){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6a]C[6]N[6])(H)	109.8410	0.000	1	109.8410	0.000	1	109.8410	0.000	1	109.8410	0.000	1	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	3:4:4:2:	3:4:1:	4:1:	N[6]-3:C[6]-4:C-4:O-2:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:H-1:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CCHN)(OH)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(H)	O(C[6]C[6]N[6]C)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CCHN)(OH){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(H){1|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6]N[6]C)(H)	105.9630	0.000	1	105.9630	0.000	1	105.9630	0.000	1	105.9630	0.000	1	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	4:3:2:1:	3:4:1:	4:4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[6,6a]FF)(N[6]C[6]H)(OC)(H)	N[6](C[6]C[6,6a]O)(C[6]C[6]HO)(H)	O(C[6]C[6]N[6]H)(CH3)	C[6](C[6]C[6,6a]FF)(N[6]C[6]H)(OC)(H){1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]HO)(H){2|C<3>,2|F<1>}	O(C[6]C[6]N[6]H)(CH3)	111.0860	3.165	2	111.0860	10.017	2	112.2730	2.388	7	112.2730	2.388	7	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	4:3:2:1:	3:4:1:	4:4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[6]N[5a,6]CH)(N[6]C[6]H)(OC)(H)	N[6](C[6]C[5a,6]O)(C[6]C[6]HO)(H)	O(C[6]C[6]N[6]H)(CH3)	C[6](C[6]N[5a,6]CH)(N[6]C[6]H)(OC)(H){1|O<1>,2|C<3>}	N[6](C[6]C[5a,6]O)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O(C[6]C[6]N[6]H)(CH3)	112.7478	0.301	5	112.7478	0.091	5	112.2730	2.388	7	112.2730	2.388	7	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	4:3:2:1:	3:4:2:	4:4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-3:C[6]-4:O-2:	C[6]-4:C-4:	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(OC)(H)	N[6](C[6]C[6,6a]O)(C[6]C[6]HO)(OC)	O(C[6]C[6]N[6]H)(CH3)	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(OC)(H){1|O<1>,4|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]HO)(OC){1|C<4>,3|C<3>}	O(C[6]C[6]N[6]H)(CH3)	112.3810	0.000	1	112.3810	0.000	1	112.3810	0.000	1	112.3810	0.000	1	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	4:3:2:1:	3:4:3:	4:1:	C[6]-4:N[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(OH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO)	O(C[6]C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(OH)(H){1|C<4>,1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6]N[6]H)(H)	112.2420	0.000	1	112.2420	0.000	1	112.2420	0.000	1	112.2420	0.000	1	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	4:3:2:1:	3:4:4:	4:1:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(OH)(H)	N[6](C[6]C[6,6]O)(C[6]C[6]HO)(CC[6a]HH)	O(C[6]C[6]N[6]H)(H)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]HO)(CC[6a]HH){1|C<2>,2|C<4>,2|H<1>}	O(C[6]C[6]N[6]H)(H)	109.7510	0.000	1	109.7510	0.000	1	109.7510	0.000	1	109.7510	0.000	1	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	4:3:2:1:	3:4:4:	4:4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-3:C[6]-4:S-4:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(OC)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]HO)(SC[6a]OO)	O(C[6]C[6]N[6]H)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]S)(OC)(H){1|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]HO)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6]N[6]H)(CCHH)	110.3580	0.000	1	110.3580	0.000	1	110.3580	0.000	1	109.3115	2.190	2	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	4:3:2:1:	3:4:4:	4:4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-3:C[6]-4:S-4:	C[6]-4:Si-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(OSi)(H)	N[6](C[6]C[5,6]O)(C[6]C[6]HO)(SC[6a]OO)	O(C[6]C[6]N[6]H)(SiC3)	C[6](C[6]C[6]HH)(N[6]C[6]S)(OSi)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]HO)(SC[6a]OO){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6]N[6]H)(SiC3)	108.2650	0.000	1	108.2650	0.000	1	108.2650	0.000	1	109.3115	2.190	2	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	4:3:2:1:	4:2:3:	4:4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:N[6]-2:C-3:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(N[6]N[6]C)(OC)(H)	N[6](C[6]C[6]HO)(N[6]C[6])(CC[6a]O)	O(C[6]C[6]N[6]H)(CCHH)	C[6](C[6]C[6]HH)(N[6]N[6]C)(OC)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]HO)(N[6]C[6])(CC[6a]O){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]N[6]H)(CCHH)	111.2810	0.000	1	111.2810	0.000	1	111.2810	0.000	1	111.2810	0.000	1	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	4:3:2:1:	4:3:1:	4:1:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]Cl2)(N[6]C[6]H)(OH)(H)	N[6](C[6]C[6]HO)(C[6]N[6]O)(H)	O(C[6]C[6]N[6]H)(H)	C[6](C[6]C[6]Cl2)(N[6]C[6]H)(OH)(H){1|N<3>,2|O<1>}	N[6](C[6]C[6]HO)(C[6]N[6]O)(H){2|Cl<1>,1|C<3>,1|H<1>}	O(C[6]C[6]N[6]H)(H)	112.6550	0.000	1	112.6550	0.000	1	112.6550	0.000	1	112.6550	0.000	1	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	4:3:2:1:	4:3:3:	4:4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C[6]-3:S-3:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(OC)(H)	N[6](C[6]C[6]HO)(C[6]C[6]C)(SCO)	O(C[6]C[6]N[6]H)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]S)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6]HO)(C[6]C[6]C)(SCO){1|C<4>,3|H<1>}	O(C[6]C[6]N[6]H)(CCHH)	110.4310	0.000	1	110.4310	0.000	1	110.4310	0.000	1	110.4310	0.000	1	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	4:3:2:1:	4:3:4:	4:1:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:H-1:	C[6](C[6]C[6]CC)(N[6]C[6]C)(OH)(H)	N[6](C[6]C[6]HO)(C[6]N[6]O)(CH3)	O(C[6]C[6]N[6]H)(H)	C[6](C[6]C[6]CC)(N[6]C[6]C)(OH)(H){1|N<3>,2|O<1>}	N[6](C[6]C[6]HO)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	O(C[6]C[6]N[6]H)(H)	112.4730	0.000	1	112.4730	0.000	1	111.6900	0.471	3	111.6900	0.471	3	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	4:3:2:1:	4:3:4:	4:1:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:H-1:	C[6](C[6]C[6]HO)(N[6]C[6]C)(OH)(H)	N[6](C[6]C[6]HO)(C[6]C[6]O)(CC[6a]HH)	O(C[6]C[6]N[6]H)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(OH)(H){1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HO)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]N[6]H)(H)	111.1910	0.000	1	111.1910	0.000	1	111.6900	0.471	3	111.6900	0.471	3	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	4:3:2:1:	4:3:4:	4:1:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]C)(OH)(H)	N[6](C[6]C[6]HO)(C[6]C[6]H)(CC[6a]HH)	O(C[6]C[6]N[6]H)(H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(OH)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]HO)(C[6]C[6]H)(CC[6a]HH){1|C<3>,1|N<3>,2|H<1>}	O(C[6]C[6]N[6]H)(H)	111.4060	0.000	1	111.4060	0.000	1	111.6900	0.471	3	111.6900	0.471	3	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	4:3:2:1:	4:3:4:	4:4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(OC)(H)	N[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)	O(C[6]C[6]N[6]H)(CH3)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(OC)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[6](C[6]C[6]HO)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(C[6]C[6]N[6]H)(CH3)	109.4940	4.632	2	109.4940	21.451	2	109.4940	21.451	2	109.4940	21.451	2	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	4:3:2:1:	4:4:3:	4:1:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:H-1:	C[6](C[6]C[6]2H)(N[6]C[6]C)(OH)(H)	N[6](C[6]C[6]2H)(C[6]C[6]HO)(COO)	O(C[6]C[6]N[6]H)(H)	C[6](C[6]C[6]2H)(N[6]C[6]C)(OH)(H){1|N<3>,3|C<4>,4|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HO)(COO){1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6]N[6]H)(H)	112.7410	0.000	1	112.7410	0.000	1	112.7410	0.000	1	112.7410	0.000	1	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	4:3:2:1:	4:4:3:	4:4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C-4:	C[6](C[6]N[6]HO)(N[6]C[6]C)(OC)(H)	N[6](C[6]C[6]HO)2(CHO)	O(C[6]C[6]N[6]H)(CH3)	C[6](C[6]N[6]HO)(N[6]C[6]C)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[6](C[6]C[6]HO)2(CHO){1|N<3>,2|H<1>,2|O<2>}	O(C[6]C[6]N[6]H)(CH3)	112.8132	0.604	4	112.8132	0.365	4	112.8132	0.365	4	112.8132	0.365	4	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	4:3:2:1:	4:4:4:	4:3:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:C-3:	C[6](C[6]C[6]HO)(N[6]C[6]S)(OC)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HO)(SC[6a]OO)	O(C[6]C[6]N[6]H)(CC[6a]O)	C[6](C[6]C[6]HO)(N[6]C[6]S)(OC)(H){2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HO)(SC[6a]OO){1|C<4>,1|O<2>,3|H<1>}	O(C[6]C[6]N[6]H)(CC[6a]O)	108.3210	0.000	1	108.3210	0.000	1	108.3210	0.000	1	108.3210	0.000	1	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	4:3:2:2:	4:3:4:	4:4:	C[6]-4:N[6]-3:O-2:O-2:	C[6]-4:C[6]-3:S-4:	C[6]-4:C-4:	C[6](C[6]C[6]OO)(N[6]C[6]S)(OC)2	N[6](C[6]C[6]OO)(C[6]C[6]C)(SCOO)	O(C[6]C[6]N[6]O)(CH3)	C[6](C[6]C[6]OO)(N[6]C[6]S)(OC)2{2|C<3>,2|H<1>}	N[6](C[6]C[6]OO)(C[6]C[6]C)(SCOO){2|C<4>,2|O<2>}	O(C[6]C[6]N[6]O)(CH3)	107.1355	3.958	2	107.1355	15.663	2	107.1355	15.663	2	107.1355	15.663	2	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	4:3:3:2:	3:4:3:	4:1:	C[6,6]-4:N[6]-3:C-3:O-2:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6,6a]C)(COO)(OH)	N[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6,6]CO)(COO)	O(C[6]C[6,6]N[6]C)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6,6a]C)(COO)(OH){2|C<3>,2|H<1>,3|C<4>}	N[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6,6]CO)(COO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6]C[6,6]N[6]C)(H)	111.8320	0.000	1	111.8320	0.000	1	111.8320	0.000	1	111.8320	0.000	1	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	4:3:3:2:	4:2:3:	4:4:	C[6]-4:N[6]-3:C-3:O-2:	C[6]-4:N[6]-2:C-3:	C[6]-4:Si-4:	C[6](C[6]C[6]HH)(N[6]N[6]C)(CCN)(OSi)	N[6](C[6]C[6]CO)(N[6]C[6])(CC[6a]O)	O(C[6]C[6]N[6]C)(SiC3)	C[6](C[6]C[6]HH)(N[6]N[6]C)(CCN)(OSi){1|C<3>,2|H<1>}	N[6](C[6]C[6]CO)(N[6]C[6])(CC[6a]O){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]N[6]C)(SiC3)	113.0100	0.328	2	113.0100	0.108	2	113.0100	0.108	2	113.0100	0.108	2	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	4:3:4:2:	3:4:1:	4:4:	C[6]-4:N[6]-3:C-4:O-2:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[6]C[5,6]HH)(N[6]C[6,6]H)(CCHH)(OC)	N[6](C[6,6]N[5,6,6]N[6])(C[6]C[6]CO)(H)	O(C[6]C[6]N[6]C)(CCCH)	C[6](C[6]C[5,6]HH)(N[6]C[6,6]H)(CCHH)(OC){1|C<4>,1|H<1>,2|N<3>}	N[6](C[6,6]N[5,6,6]N[6])(C[6]C[6]CO)(H){3|C<4>,3|H<1>}	O(C[6]C[6]N[6]C)(CCCH)	110.4810	0.000	1	110.4810	0.000	1	110.4810	0.000	1	110.4810	0.000	1	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	4:3:4:2:	4:3:1:	4:1:	C[6]-4:N[6]-3:C-4:O-2:	C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]H)(CF3)(OH)	N[6](C[6]C[6]CO)(C[6]N[6]O)(H)	O(C[6]C[6]N[6]C)(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(CF3)(OH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	N[6](C[6]C[6]CO)(C[6]N[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]N[6]C)(H)	112.3933	1.730	10	112.3933	2.992	10	111.4477	3.877	15	111.4477	3.877	15	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	4:3:4:2:	4:3:1:	4:1:	C[6]-4:N[6]-3:C-4:O-2:	C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]H)(CF3)(OH)	N[6](C[6]C[6]CO)(C[6]N[6]S)(H)	O(C[6]C[6]N[6]C)(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(CF3)(OH){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	N[6](C[6]C[6]CO)(C[6]N[6]S)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]N[6]C)(H)	109.4953	0.487	3	109.4953	0.237	3	111.4477	3.877	15	111.4477	3.877	15	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	4:3:4:2:	4:3:1:	4:1:	C[6]-4:N[6]-3:C-4:O-2:	C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(OH)	N[6](C[6]C[6]CO)(C[6]N[6]S)(H)	O(C[6]C[6]N[6]C)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(OH){1|C<4>,1|N<3>,1|O<2>,1|S<1>}	N[6](C[6]C[6]CO)(C[6]N[6]S)(H){1|C<4>,3|H<1>}	O(C[6]C[6]N[6]C)(H)	109.6480	0.150	2	109.6480	0.022	2	111.4477	3.877	15	111.4477	3.877	15	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	4:3:4:2:	4:3:1:	4:4:	C[6]-4:N[6]-3:C-4:O-2:	C[6]-4:C[6]-3:H-1:	C[6]-4:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(OC)	N[6](C[6]C[6]CO)(C[6]N[6]S)(H)	O(C[6]C[6]N[6]C)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(OC){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	N[6](C[6]C[6]CO)(C[6]N[6]S)(H){1|C<4>,3|H<1>}	O(C[6]C[6]N[6]C)(CH3)	111.6240	0.000	1	111.6240	0.000	1	111.6240	0.000	1	111.6240	0.000	1	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	4:3:4:2:	4:3:4:	4:1:	C[6,6]-4:N[6]-3:C-4:O-2:	C[6]-4:C[6]-3:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CCHH)(OH)	N[6](C[6]C[6,6]CO)(C[6]C[6,6]O)(CCHH)	O(C[6]C[6,6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CCHH)(OH){1|C<4>,1|N<3>,2|H<1>,2|O<1>}	N[6](C[6]C[6,6]CO)(C[6]C[6,6]O)(CCHH){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6]N[6]C)(H)	108.7690	0.000	1	108.7690	0.000	1	108.8775	0.024	2	108.8775	0.024	2	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	4:3:4:2:	4:3:4:	4:1:	C[6,6]-4:N[6]-3:C-4:O-2:	C[6]-4:C[6]-3:C-4:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CCHH)(OH)	N[6](C[6]C[6,6]CO)(C[6]C[6,6]O)(CC[6a]HH)	O(C[6]C[6,6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CCHH)(OH){1|C<4>,1|N<3>,2|H<1>,2|O<1>}	N[6](C[6]C[6,6]CO)(C[6]C[6,6]O)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6]N[6]C)(H)	108.9860	0.000	1	108.9860	0.000	1	108.8775	0.024	2	108.8775	0.024	2	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP2_SP3	C[6]	N[6]	O	4:3:4:2:	4:3:4:	4:4:	C[6]-4:N[6]-3:C-4:O-2:	C[6]-4:C[6]-3:C-4:	C[6]-4:C-4:	C[6](C[6]C[6]FH)(N[6]C[6]C)(CH3)(OC)	N[6](C[6]C[6]CO)(C[6]N[6]O)(CH3)	O(C[6]C[6]N[6]C)(CH3)	C[6](C[6]C[6]FH)(N[6]C[6]C)(CH3)(OC){1|N<3>,2|O<1>}	N[6](C[6]C[6]CO)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|F<1>,1|H<1>}	O(C[6]C[6]N[6]C)(CH3)	111.1110	0.000	1	111.1110	0.000	1	111.1110	0.000	1	111.1110	0.000	1	110.6170	6.609	93	110.1371	7.946	115
466	856	893	0:SP3_SP3_SP3	C[3x6]	N[6]	O	4:4:3:2:	4:4:4:	4:1:	C[5,4x6]-4:C[6,6]-4:N[6]-3:O-2:	C[3x6]-4:C[6]-4:C-4:	C[3x6]-4:H-1:	C[3x6](C[5,4x6]C[5,6,6]2C[6])(C[6,6]C[3x6]HH)(N[6]C[6]C)(OH)	N[6](C[3x6]C[5,4x6]C[6,6]O)(C[6]C[6]HH)(CCHH)	O(C[3x6]C[5,4x6]C[6,6]N[6])(H)	C[3x6](C[5,4x6]C[5,6,6]2C[6])(C[6,6]C[3x6]HH)(N[6]C[6]C)(OH){1|C<3>,5|C<4>,6|H<1>}	N[6](C[3x6]C[5,4x6]C[6,6]O)(C[6]C[6]HH)(CCHH){4|C<4>,4|H<1>}	O(C[3x6]C[5,4x6]C[6,6]N[6])(H)	106.6960	0.000	1	106.6960	0.000	1	106.6960	0.000	1	106.6960	0.000	1	106.6960	0.000	1	110.7281	4.926	28
466	856	893	0:SP3_SP3_SP3	C[6,6]	N[6,6]	O	3:3:3:2:	3:4:3:	4:2:	C[6,6a]-3:N[6,6]-3:N[6]-3:O-2:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:O-2:	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(OO)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]O)(C[6]C[6,6a]O)	O(C[6,6]C[6,6a]N[6,6]N[6])(OH)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(OO){1|H<1>,2|O<1>,5|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]O)(C[6]C[6,6a]O){2|C<4>,6|C<3>}	O(C[6,6]C[6,6a]N[6,6]N[6])(OH)	108.4080	0.000	1	108.4080	0.000	1	108.4080	0.000	1	108.4080	0.000	1	109.3043	0.736	3	110.7281	4.926	28
466	856	893	0:SP3_SP3_SP3	C[6,6]	N[6,6]	O	3:4:4:2:	4:4:1:	4:1:	N[6,6]-3:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:H-1:	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]FF)(C[6]C[6]HH)(OH)	N[6,6](C[6,6]C[6]2H)(C[6,6]C[6]2O)(H)	O(C[6,6]N[6,6]C[6]2)(H)	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]FF)(C[6]C[6]HH)(OH){1|O<2>,2|C<4>,4|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6,6]C[6]2O)(H){1|O<2>,2|C<4>,2|F<1>,5|H<1>}	O(C[6,6]N[6,6]C[6]2)(H)	109.3870	0.000	1	109.3870	0.000	1	109.3870	0.000	1	109.3870	0.000	1	109.3043	0.736	3	110.7281	4.926	28
466	856	893	0:SP3_SP3_SP3	C[6,6]	N[6,6]	O	3:4:4:2:	4:4:4:	4:1:	N[6,6]-3:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]FF)(C[6]C[6]HH)(OH)	N[6,6](C[6,6]C[6]2H)(C[6,6]C[6]2O)(CH3)	O(C[6,6]N[6,6]C[6]2)(H)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]FF)(C[6]C[6]HH)(OH){1|O<2>,2|C<4>,4|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6,6]C[6]2O)(CH3){1|O<2>,2|C<4>,2|F<1>,5|H<1>}	O(C[6,6]N[6,6]C[6]2)(H)	110.1180	0.000	1	110.1180	0.000	1	110.1180	0.000	1	110.1180	0.000	1	109.3043	0.736	3	110.7281	4.926	28
466	856	893	0:SP3_SP3_SP3	C[6,6]	N[6]	O	3:3:3:2:	3:4:4:	4:4:	N[6]-3:C[6,6]-3:C[6]-3:O-2:	C[6,6a]-3:C[6,6]-4:C-4:	C[6,6]-4:C-4:	C[6,6](N[6]C[6,6a]C)(C[6,6]N[6]2)(C[6]N[6]O)(OC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(CCHH)	O(C[6,6]C[6,6]C[6]N[6])(CH3)	C[6,6](N[6]C[6,6a]C)(C[6,6]N[6]2)(C[6]N[6]O)(OC){2|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(CCHH){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	O(C[6,6]C[6,6]C[6]N[6])(CH3)	113.5320	0.000	1	113.5320	0.000	1	113.5320	0.000	1	113.5320	0.000	1	110.2357	9.201	3	110.7281	4.926	28
466	856	893	0:SP3_SP3_SP3	C[6,6]	N[6]	O	4:4:3:2:	4:2:4:	4:1:	C[6,6]-4:C[6]-4:N[6]-3:O-2:	C[6,6]-4:N[6]-2:C-4:	C[6,6]-4:H-1:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]N[6]C)(OH)	N[6](C[6,6]C[6,6]C[6]O)(N[6]C[6])(CH3)	O(C[6,6]C[6,6]C[6]N[6])(H)	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]N[6]C)(OH){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6,6]C[6,6]C[6]O)(N[6]C[6])(CH3){1|C<3>,2|C<4>,4|H<1>}	O(C[6,6]C[6,6]C[6]N[6])(H)	107.5620	0.000	1	107.5620	0.000	1	107.5620	0.000	1	107.5620	0.000	1	110.2357	9.201	3	110.7281	4.926	28
466	856	893	0:SP3_SP3_SP3	C[6,6]	N[6]	O	4:4:3:2:	4:4:4:	4:1:	C[5,6,6]-4:C[6]-4:N[6]-3:O-2:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:H-1:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]C)(OH)	N[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(CCHH)	O(C[6,6]C[5,6,6]C[6]N[6])(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]C)(OH){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	N[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(CCHH){4|C<4>,4|H<1>}	O(C[6,6]C[5,6,6]C[6]N[6])(H)	109.6130	0.000	1	109.6130	0.000	1	109.6130	0.000	1	109.6130	0.000	1	110.2357	9.201	3	110.7281	4.926	28
466	856	893	0:SP3_SP3_SP3	C[6]	N[6,6]	O	4:3:2:1:	4:4:4:	4:1:	C[6,6]-4:N[6,6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(OH)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(C[6]C[6,6]HO)	O(C[6]C[6,6]N[6,6]H)(H)	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(OH)(H){2|C<3>,4|C<4>,4|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(C[6]C[6,6]HO){1|C<4>,1|N<3>,1|S<2>,3|C<3>,3|H<1>}	O(C[6]C[6,6]N[6,6]H)(H)	112.6410	0.000	1	112.6410	0.000	1	112.6410	0.000	1	112.6410	0.000	1	112.6410	0.000	1	110.7281	4.926	28
466	856	893	0:SP3_SP3_SP3	C[6]	N[6]	O	3:3:2:1:	3:3:4:	4:4:	N[6]-3:N[6]-3:O-2:H-1:	N[6]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](N[6]C[6a]N[6])2(OC)(H)	N[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HO)	O(C[6]N[6]2H)(CH3)	C[6](N[6]C[6a]N[6])2(OC)(H){1|N<2>,5|C<3>}	N[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HO){1|H<1>,1|O<2>,2|N<2>,5|C<3>}	O(C[6]N[6]2H)(CH3)	110.4120	0.000	1	110.4120	0.000	1	110.4120	0.000	1	110.4120	0.000	1	111.1215	4.384	20	110.7281	4.926	28
466	856	893	0:SP3_SP3_SP3	C[6]	N[6]	O	3:3:2:1:	3:4:4:	4:1:	N[6]-3:C[6]-3:O-2:H-1:	C[5,6]-3:C[6]-4:C-4:	C[6]-4:H-1:	C[6](N[6]C[5,6]C)(C[6]N[6]O)(OH)(H)	N[6](C[5,6]C[5,6]N[5])(C[6]C[6]HO)(CC[6a]CH)	O(C[6]C[6]N[6]H)(H)	C[6](N[6]C[5,6]C)(C[6]N[6]O)(OH)(H){1|C<3>,1|C<4>,1|N<3>}	N[6](C[5,6]C[5,6]N[5])(C[6]C[6]HO)(CC[6a]CH){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	O(C[6]C[6]N[6]H)(H)	111.1660	0.000	1	111.1660	0.000	1	111.1660	0.000	1	112.5275	3.707	2	111.1215	4.384	20	110.7281	4.926	28
466	856	893	0:SP3_SP3_SP3	C[6]	N[6]	O	3:3:2:1:	3:4:4:	4:1:	N[6]-3:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:H-1:	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(OH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CC[6a]HH)	O(C[6]C[6]N[6]H)(H)	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(OH)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O(C[6]C[6]N[6]H)(H)	113.8890	0.000	1	113.8890	0.000	1	113.8890	0.000	1	112.5275	3.707	2	111.1215	4.384	20	110.7281	4.926	28
466	856	893	0:SP3_SP3_SP3	C[6]	N[6]	O	3:3:2:1:	3:4:4:	4:4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(OC)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HO)(CH3)	O(C[6]C[6,6a]N[6]H)(CH3)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(OC)(H){1|O<2>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HO)(CH3){5|C<3>}	O(C[6]C[6,6a]N[6]H)(CH3)	111.1720	0.815	2	111.1720	0.664	2	111.1720	0.664	2	111.1720	0.664	2	111.1215	4.384	20	110.7281	4.926	28
466	856	893	0:SP3_SP3_SP3	C[6]	N[6]	O	3:3:2:1:	4:4:1:	4:1:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(OH)(H)	N[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)	O(C[6]C[6,6a]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H){2|C<3>,2|H<1>}	O(C[6]C[6,6a]N[6]H)(H)	112.8190	0.000	1	112.8190	0.000	1	112.8190	0.000	1	112.8190	0.000	1	111.1215	4.384	20	110.7281	4.926	28
466	856	893	0:SP3_SP3_SP3	C[6]	N[6]	O	3:3:2:1:	4:4:4:	4:1:	C[6]-3:N[6]-3:O-2:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:H-1:	C[6](C[6]C[6]H)(N[6]C[6]S)(OH)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(SC[6a]OO)	O(C[6]C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]S)(OH)(H){2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(SC[6a]OO){1|H<1>,1|O<1>,3|C<3>}	O(C[6]C[6]N[6]H)(H)	114.3740	0.000	1	114.3740	0.000	1	114.3740	0.000	1	114.3740	0.000	1	111.1215	4.384	20	110.7281	4.926	28
466	856	893	0:SP3_SP3_SP3	C[6]	N[6]	O	3:3:2:1:	4:4:4:	4:4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6]-4:S[6]-4:C-4:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]C)(OC)(H)	N[6](C[6]C[6,6a]HO)(S[6]O[6]OO)(CCHH)	O(C[6]C[6,6a]N[6]H)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]C)(OC)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	N[6](C[6]C[6,6a]HO)(S[6]O[6]OO)(CCHH){2|C<3>}	O(C[6]C[6,6a]N[6]H)(CCHH)	108.3325	0.016	2	108.3325	0.000	2	110.6683	16.368	3	110.6683	16.368	3	111.1215	4.384	20	110.7281	4.926	28
466	856	893	0:SP3_SP3_SP3	C[6]	N[6]	O	3:3:2:1:	4:4:4:	4:4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6]-4:S[6]-4:C-4:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]C)(OC)(H)	N[6](C[6]C[6,6a]HO)(S[6]O[6]OO)(CC[3]HH)	O(C[6]C[6,6a]N[6]H)(CC[3]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]C)(OC)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	N[6](C[6]C[6,6a]HO)(S[6]O[6]OO)(CC[3]HH){2|C<3>}	O(C[6]C[6,6a]N[6]H)(CC[3]HH)	115.3400	0.000	1	115.3400	0.000	1	110.6683	16.368	3	110.6683	16.368	3	111.1215	4.384	20	110.7281	4.926	28
466	856	893	0:SP3_SP3_SP3	C[6]	N[6]	O	3:3:3:2:	4:3:2:	4:1:	C[6]-3:C[6a]-3:N[6]-3:O-2:	C[6]-4:C[6]-3:O-2:	C[6]-4:H-1:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]O)(OH)	N[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]O)(OC)	O(C[6]C[6a]C[6]N[6])(H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]O)(OH){1|O<1>,2|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]O)(OC){1|O<1>,4|C<3>}	O(C[6]C[6a]C[6]N[6])(H)	109.0170	0.000	1	109.0170	0.000	1	109.0170	0.000	1	109.0170	0.000	1	111.1215	4.384	20	110.7281	4.926	28
466	856	893	0:SP3_SP3_SP3	C[6]	N[6]	O	3:4:2:1:	3:3:4:	4:4:	N[6]-3:C[6]-4:O-2:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(OC)(H)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO)	O(C[6]C[6]N[6]H)(CCHH)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(OC)(H){1|O<1>,4|C<3>}	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO){1|N<2>,3|H<1>,6|C<3>}	O(C[6]C[6]N[6]H)(CCHH)	111.3840	0.000	1	111.3840	0.000	1	111.3840	0.000	1	111.3840	0.000	1	111.1215	4.384	20	110.7281	4.926	28
466	856	893	0:SP3_SP3_SP3	C[6]	N[6]	O	4:3:2:1:	3:4:2:	4:1:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-3:C[6]-4:O-2:	C[6]-4:H-1:	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(OH)(H)	N[6](C[6]C[6,6a]O)(C[6]C[6]HO)(OC)	O(C[6]C[6]N[6]H)(H)	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(OH)(H){1|O<1>,4|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]HO)(OC){1|C<4>,3|C<3>}	O(C[6]C[6]N[6]H)(H)	111.4060	0.000	1	111.4060	0.000	1	111.4060	0.000	1	111.4060	0.000	1	111.1215	4.384	20	110.7281	4.926	28
466	856	893	0:SP3_SP3_SP3	C[6]	N[6]	O	4:3:2:1:	4:4:1:	4:2:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:	C[6](C[6]N[6]HO)(N[6]C[6]H)(OO)(H)	N[6](C[6]C[6]HO)2(H)	O(C[6]C[6]N[6]H)(OH)	C[6](C[6]N[6]HO)(N[6]C[6]H)(OO)(H){1|C<4>,1|O<2>,2|H<1>}	N[6](C[6]C[6]HO)2(H){1|N<3>,2|H<1>,2|O<2>}	O(C[6]C[6]N[6]H)(OH)	108.6570	0.057	2	108.6570	0.003	2	108.6570	0.003	2	108.6570	0.003	2	111.1215	4.384	20	110.7281	4.926	28
466	856	893	0:SP3_SP3_SP3	C[6]	N[6]	O	4:3:2:1:	4:4:2:	4:1:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:S-4:N[6]-2:	C[6]-4:H-1:	C[6](C[6]C[6]HH)(N[6]N[6]S)(OH)(H)	N[6](C[6]C[6]HO)(SC[6a]OO)(N[6]C[6])	O(C[6]C[6]N[6]H)(H)	C[6](C[6]C[6]HH)(N[6]N[6]S)(OH)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]HO)(SC[6a]OO)(N[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]N[6]H)(H)	109.7270	0.000	1	109.7270	0.000	1	109.7270	0.000	1	109.7270	0.000	1	111.1215	4.384	20	110.7281	4.926	28
466	856	893	0:SP3_SP3_SP3	C[6]	N[6]	O	4:3:2:1:	4:4:4:	4:1:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]S)(OH)(H)	N[6](C[6]C[6]HH)(C[6]C[6]HO)(SC[6a]OO)	O(C[6]C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]S)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]HO)(SC[6a]OO){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6]N[6]H)(H)	109.6180	0.000	1	109.6180	0.000	1	109.6180	0.000	1	109.6180	0.000	1	111.1215	4.384	20	110.7281	4.926	28
466	856	893	0:SP3_SP3_SP3	C[6]	N[6]	O	4:3:2:1:	4:4:4:	4:4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:C-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(OC)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HO)(SC[6a]OO)	O(C[6]C[6]N[6]H)(CH3)	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(OC)(H){1|H<1>,2|C<4>,2|S<2>}	N[6](C[6]C[6]CH)(C[6]C[6]HO)(SC[6a]OO){1|C<4>,4|H<1>}	O(C[6]C[6]N[6]H)(CH3)	111.0750	0.000	1	111.0750	0.000	1	111.0750	0.000	1	111.0750	0.000	1	111.1215	4.384	20	110.7281	4.926	28
466	856	893	0:SP3_SP3_SP3	C[6]	N[6]	O	4:3:4:2:	4:3:1:	4:1:	C[6]-4:N[6]-3:C-4:O-2:	C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]H)(CF3)(OH)	N[6](C[6]C[6]CO)(C[6]N[6]O)(H)	O(C[6]C[6]N[6]C)(H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(CF3)(OH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	N[6](C[6]C[6]CO)(C[6]N[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[6]N[6]C)(H)	112.9395	0.332	2	112.9395	0.110	2	112.9395	0.110	2	112.9395	0.110	2	111.1215	4.384	20	110.7281	4.926	28
466	856	899	0:SP3_SP-NON_SP2	C[6]	N[6]	C	3:2:1:1:	4:4:2:	4:	N[6]-3:C[6]-2:C-1:C-1:	C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](N[6]C[6]O)(C[6]C[6])(C)2	N[6](C[6]C[6]CC)2(OC)	C(C[6]C[6]N[6]C)	C[6](N[6]C[6]O)(C[6]C[6])(C)2{1|C<2>,2|C<1>}	N[6](C[6]C[6]CC)2(OC){1|C<2>}	C(C[6]C[6]N[6]C)	111.1292	4.921	4	111.1292	24.211	4	111.1292	24.211	4	111.1292	24.211	4	111.1292	24.211	4	111.1292	24.211	4
466	856	909	0:SP3_SP2_SP2	C[6]	N[6]	S	3:3:2:2:	3:4:3:	4:2:	C[5a,6]-3:N[6]-3:C-2:S-2:	C[5a]-3:C[6]-4:C[6]-3:	C[6]-4:S-2:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[5a]C[6])(CN)(SS)	N[6](C[5a]C[5a]N[5a])(C[6]C[5a,6]CS)(C[6]N[6]C)	S(C[6]C[5a,6]N[6]C)(SS)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[5a]C[6])(CN)(SS){1|C<2>,1|C<3>,1|C<4>,2|N<2>,2|N<3>}	N[6](C[5a]C[5a]N[5a])(C[6]C[5a,6]CS)(C[6]N[6]C){1|C<4>,1|N<2>,1|S<2>,3|C<3>}	S(C[6]C[5a,6]N[6]C)(SS)	114.4980	0.000	1	114.4980	0.000	1	114.4980	0.000	1	114.4980	0.000	1	112.0517	5.053	3	112.0517	5.053	3
466	856	909	0:SP3_SP2_SP2	C[6]	N[6]	S	3:3:4:2:	3:4:4:	4:3:	C[6]-3:N[6]-3:C-4:S-2:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6a]-3:	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[5a]HH)(SC[6a])	N[6](C[6]C[5,6]O)(C[6]C[6]CS)(CC[6a]HH)	S(C[6]C[6]N[6]C)(C[6a]C[6a]2)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[5a]HH)(SC[6a]){1|O<1>,2|C<4>}	N[6](C[6]C[5,6]O)(C[6]C[6]CS)(CC[6a]HH){1|N<3>,1|O<1>,2|C<4>}	S(C[6]C[6]N[6]C)(C[6a]C[6a]2)	110.0770	0.000	1	110.0770	0.000	1	110.0770	0.000	1	110.0770	0.000	1	112.0517	5.053	3	112.0517	5.053	3
466	856	909	0:SP3_SP2_SP2	C[6]	N[6]	S	4:3:2:1:	3:4:4:	4:3:	C[6]-4:N[6]-3:S-2:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6a]-3:	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]C)(SC[6a])(H)	N[6](C[6]C[6,6a]O)(C[6]C[6]HS)(CC[6a]HH)	S(C[6]C[6]N[6]H)(C[6a]C[6a]2)	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]C)(SC[6a])(H){1|O<1>,4|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]HS)(CC[6a]HH){1|C<4>,3|C<3>}	S(C[6]C[6]N[6]H)(C[6a]C[6a]2)	111.5800	0.000	1	111.5800	0.000	1	111.5800	0.000	1	111.5800	0.000	1	112.0517	5.053	3	112.0517	5.053	3
466	856	909	0:SP3_SP2_SP3	C[6]	N[6]	S	3:3:2:1:	3:4:4:	4:4:	C[6]-3:N[6]-3:S-2:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:C-4:	C[6](C[6]N[5,6]O)(N[6]C[6]C)(SC)(H)	N[6](C[6]C[5,6]O)(C[6]C[6]HS)(CH3)	S(C[6]C[6]N[6]H)(CH3)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(SC)(H){1|O<1>,2|C<4>}	N[6](C[6]C[5,6]O)(C[6]C[6]HS)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	S(C[6]C[6]N[6]H)(CH3)	110.7640	0.000	1	110.7640	0.000	1	110.7640	0.000	1	110.7640	0.000	1	109.6188	13.338	13	109.6188	13.338	13
466	856	909	0:SP3_SP2_SP3	C[6]	N[6]	S	3:3:2:2:	3:4:3:	4:4:	N[6]-3:N[6]-3:S-2:S-2:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:C-4:	C[6](N[6]C[6a]C[6])2(SC)2	N[6](C[6a]C[6a]2)(C[6]N[6]SS)(C[6]C[6]O)	S(C[6]N[6]2S)(CH3)	C[6](N[6]C[6a]C[6])2(SC)2{1|C<4>,2|O<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]SS)(C[6]C[6]O){4|C<3>,4|C<4>}	S(C[6]N[6]2S)(CH3)	109.2763	5.422	4	109.2763	29.395	4	109.2763	29.395	4	109.2763	29.395	4	109.6188	13.338	13	109.6188	13.338	13
466	856	909	0:SP3_SP2_SP3	C[6]	N[6]	S	3:3:3:2:	4:3:4:	4:4:	C[6]-3:N[6]-3:C-3:S-2:	C[6]-4:C[6]-3:C-4:	C[6]-4:C-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(COO)(SC)	N[6](C[6]C[6]CS)(C[6]C[6]O)(CH3)	S(C[6]C[6]N[6]C)(CC[6a]HH)	C[6](C[6]N[6]O)(N[6]C[6]C)(COO)(SC){1|O<1>,2|C<4>}	N[6](C[6]C[6]CS)(C[6]C[6]O)(CH3){1|C<3>,1|N<3>,1|O<1>,1|S<2>}	S(C[6]C[6]N[6]C)(CC[6a]HH)	112.2290	0.000	1	112.2290	0.000	1	112.2290	0.000	1	112.2290	0.000	1	109.6188	13.338	13	109.6188	13.338	13
466	856	909	0:SP3_SP2_SP3	C[6]	N[6]	S	3:3:4:2:	3:4:1:	4:4:	C[6]-3:N[6]-3:C-4:S-2:	C[6]-3:C[6]-4:H-1:	C[6]-4:C-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]HH)(SC)	N[6](C[6]C[5,6]O)(C[6]C[6]CS)(H)	S(C[6]C[6]N[6]C)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]HH)(SC){1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]CS)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	S(C[6]C[6]N[6]C)(CH3)	105.6710	0.000	1	105.6710	0.000	1	105.6710	0.000	1	105.6710	0.000	1	109.6188	13.338	13	109.6188	13.338	13
466	856	909	0:SP3_SP2_SP3	C[6]	N[6]	S	3:3:4:2:	4:3:4:	4:2:	C[6]-3:N[6]-3:C-4:S-2:	C[6]-4:C[6]-3:C-4:	C[6]-4:S-2:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(SS)	N[6](C[6]C[6]CS)(C[6]C[6]O)(CH3)	S(C[6]C[6]N[6]C)(SS)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(SS){1|O<1>,2|C<4>}	N[6](C[6]C[6]CS)(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	S(C[6]C[6]N[6]C)(SS)	111.5595	0.812	2	111.5595	0.660	2	111.5595	0.660	2	111.5595	0.660	2	109.6188	13.338	13	109.6188	13.338	13
466	856	909	0:SP3_SP2_SP3	C[6]	N[6]	S	3:3:4:2:	4:3:4:	4:4:	C[6]-3:N[6]-3:C-4:S-2:	C[6]-4:C[6]-3:C-4:	C[6]-4:C-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(SC)	N[6](C[6]C[6]CS)(C[6]C[6]O)(CH3)	S(C[6]C[6]N[6]C)(CH3)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(SC){1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CS)(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	S(C[6]C[6]N[6]C)(CH3)	103.9370	0.000	1	103.9370	0.000	1	103.9370	0.000	1	103.9370	0.000	1	109.6188	13.338	13	109.6188	13.338	13
466	856	909	0:SP3_SP2_SP3	C[6]	N[6]	S	3:4:2:1:	4:4:3:	4:4:	N[6]-3:C[6]-4:S-2:H-1:	C[5]-4:C[6]-4:C[6]-3:	C[6]-4:C-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(SC)(H)	N[6](C[5]C[5,5]O[5]H)(C[6]C[6]HS)(C[6]N[6]O)	S(C[6]C[6]N[6]H)(CC[5]HH)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(SC)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	N[6](C[5]C[5,5]O[5]H)(C[6]C[6]HS)(C[6]N[6]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	S(C[6]C[6]N[6]H)(CC[5]HH)	111.3855	0.972	2	111.3855	0.945	2	111.3855	0.945	2	111.3855	0.945	2	109.6188	13.338	13	109.6188	13.338	13
466	856	909	0:SP3_SP2_SP3	C[6]	N[6]	S	4:3:2:3:	4:3:4:	4:3:	C[6]-4:N[6]-3:S-2:C-3:	C[6]-4:C[6]-3:S-4:	C[6]-4:C[6a]-3:	C[6](C[6]C[6]HH)(N[6]C[6]S)(SC[6a])(CHN)	N[6](C[6]C[6]CS)(C[6]C[6]H)(SC[6a]OO)	S(C[6]C[6]N[6]C)(C[6a]C[6a]2)	C[6](C[6]C[6]HH)(N[6]C[6]S)(SC[6a])(CHN){1|C<3>,3|H<1>}	N[6](C[6]C[6]CS)(C[6]C[6]H)(SC[6a]OO){1|C<4>,1|S<2>,2|H<1>}	S(C[6]C[6]N[6]C)(C[6a]C[6a]2)	109.4480	0.000	1	109.4480	0.000	1	109.4480	0.000	1	109.4480	0.000	1	109.6188	13.338	13	109.6188	13.338	13
466	856	909	0:SP3_SP3_SP3	C[6,6]	N[6,6]	S	3:4:3:2:	4:2:3:	4:2:	N[6,6]-3:C[6]-4:C[6]-3:S-2:	C[6,6]-4:O[6]-2:C[6]-3:	C[6,6]-4:S-2:	C[6,6](N[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]N[6]O)(SS)	N[6,6](C[6,6]C[6]2S)(O[6]C[6,6])(C[6]C[6]O)	S(C[6,6]N[6,6]C[6]2)(SC)	C[6,6](N[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]N[6]O)(SS){1|O<1>,1|O<2>,4|C<4>}	N[6,6](C[6,6]C[6]2S)(O[6]C[6,6])(C[6]C[6]O){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	S(C[6,6]N[6,6]C[6]2)(SC)	113.2000	0.000	1	113.2000	0.000	1	113.2000	0.000	1	113.2000	0.000	1	113.2000	0.000	1	113.2000	0.000	1
466	856	914	6:SP3_SP2_SP2	C[6,6]	N[6,6]	N[6]	3:4:2:1:	4:4:3:	3:4:	N[6,6]-3:C[6]-4:N[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6,6]-3:C[6,6]-4:	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[6]HH)(N[6]C[6,6])(H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6a]C[6a]2)	N[6](C[6,6]C[6,6]N[6,6])(C[6,6]N[6,6]C[6]H)	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[6]HH)(N[6]C[6,6])(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6a]C[6a]2){1|C<4>,4|C<3>,6|H<1>}	N[6](C[6,6]C[6,6]N[6,6])(C[6,6]N[6,6]C[6]H){1|C<2>,2|H<1>,3|C<3>,3|C<4>}	111.4400	0.000	1	111.4400	0.000	1	111.4400	0.000	1	111.4400	0.000	1	111.4400	0.000	1	111.3946	8.856	31
466	856	914	6:SP3_SP2_SP2	C[6,6]	N[6]	N[6]	4:4:3:2:	4:4:3:	4:3:	C[6]-4:C[6]-4:N[6]-3:N[6]-2:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-3:	C[6,6](C[6]C[6]HH)2(N[6]C[6]2)(N[6]C[6])	N[6](C[6,6]C[6]2N[6])(C[6]C[6]2H)(C[6]C[6]H)	N[6](C[6,6]C[6]2N[6])(C[6]C[6]N)	C[6,6](C[6]C[6]HH)2(N[6]C[6]2)(N[6]C[6]){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	N[6](C[6,6]C[6]2N[6])(C[6]C[6]2H)(C[6]C[6]H){2|C<3>,4|C<4>,8|H<1>}	N[6](C[6,6]C[6]2N[6])(C[6]C[6]N){2|C<3>,3|C<4>,4|H<1>}	109.5360	0.000	1	109.5360	0.000	1	109.5360	0.000	1	109.5360	0.000	1	111.3093	3.799	3	111.3946	8.856	31
466	856	914	6:SP3_SP2_SP2	C[6,6]	N[6]	N[6]	4:4:3:2:	4:4:3:	4:4:	C[6]-4:C[6]-4:N[6]-3:N[6]-2:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-4:	C[6,6](C[6]C[6]HH)2(N[6]C[6]2)(N[6]C[6])	N[6](C[6,6]C[6]2N[6])(C[6]C[6]2H)(C[6]C[6]H)	N[6](C[6,6]C[6]2N[6])(C[6]C[6]TaC)	C[6,6](C[6]C[6]HH)2(N[6]C[6]2)(N[6]C[6]){1|Ta<12>,1|C<5>,4|C<4>,6|H<1>}	N[6](C[6,6]C[6]2N[6])(C[6]C[6]2H)(C[6]C[6]H){1|Ta<12>,1|N<3>,5|C<4>,8|H<1>}	N[6](C[6,6]C[6]2N[6])(C[6]C[6]TaC){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	112.1960	1.697	2	112.1960	2.880	2	112.1960	2.880	2	112.1960	2.880	2	111.3093	3.799	3	111.3946	8.856	31
466	856	914	6:SP3_SP2_SP2	C[6]	N[6,6]	N[6]	3:2:1:1:	3:4:4:	3:4:	N[6,6]-3:N[6]-2:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6,6])(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(C[6]N[6]HH)	N[6](C[6,6]C[3x6]C[6])(C[6]N[6,6]HH)	C[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6,6])(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(C[6]N[6]HH){1|C<4>,1|H<1>,4|C<3>}	N[6](C[6,6]C[3x6]C[6])(C[6]N[6,6]HH){1|H<1>,2|C<4>,3|C<3>}	115.2250	0.000	1	115.2250	0.000	1	115.2250	0.000	1	115.2250	0.000	1	115.2250	0.000	1	111.3946	8.856	31
466	856	914	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	2:3:4:4:	3:4:1:	3:4:	N[6]-2:N[6]-3:C-4:C-4:	C[6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:	C[6](N[6]C[5a,6])(N[6]C[6]H)(CH3)2	N[6](C[6]C[5a,6]C)(C[6]N[6]CC)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]CC)	C[6](N[6]C[5a,6])(N[6]C[6]H)(CH3)2{1|N<3>,2|C<3>}	N[6](C[6]C[5a,6]C)(C[6]N[6]CC)(H){1|C<3>,1|N<2>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]CC){1|H<1>,1|N<2>,3|C<3>}	111.1650	0.000	1	111.1650	0.000	1	111.1650	0.000	1	111.1650	0.000	1	111.2554	9.715	26	111.3946	8.856	31
466	856	914	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:1:	3:4:4:	4:4:	N[6]-3:N[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	S[6]-4:C[6]-4:	C[6](N[6]C[6,6a]C)(N[6]S[6])(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)	N[6](S[6]C[6,6a]OO)(C[6]N[6]HH)	C[6](N[6]C[6,6a]C)(N[6]S[6])(H)2{2|C<3>,2|O<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH){1|H<1>,1|S<4>,2|C<3>}	N[6](S[6]C[6,6a]OO)(C[6]N[6]HH){1|C<4>,2|C<3>}	113.6620	0.000	1	113.6620	0.000	1	113.6620	0.000	1	113.6620	0.000	1	111.2554	9.715	26	111.3946	8.856	31
466	856	914	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:1:	4:3:4:	3:4:	C[6a]-3:N[6]-2:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]C[6]C)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(CC[6a]HH)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]N[6]H)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]C[6]C)(H){3|H<1>,4|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(CC[6a]HH){4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]N[6]H){1|C<4>,6|C<3>}	114.3140	0.000	1	114.3140	0.000	1	114.3140	0.000	1	114.3140	0.000	1	111.2554	9.715	26	111.3946	8.856	31
466	856	914	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:2:4:1:	4:2:1:	4:2:	N[6]-3:N[6]-2:C-4:H-1:	C[6]-4:N[6]-2:H-1:	C[6]-4:N[6]-2:	C[6](N[6]N[6]H)(N[6]N[6])(CH3)(H)	N[6](C[6]N[6]CH)(N[6]C[6])(H)	N[6](C[6]N[6]CH)(N[6]C[6])	C[6](N[6]N[6]H)(N[6]N[6])(CH3)(H){1|C<3>}	N[6](C[6]N[6]CH)(N[6]C[6])(H){1|C<3>,1|N<2>}	N[6](C[6]N[6]CH)(N[6]C[6]){1|C<3>,1|H<1>,1|N<2>}	103.5980	0.000	1	103.5980	0.000	1	103.5980	0.000	1	103.5980	0.000	1	111.2554	9.715	26	111.3946	8.856	31
466	856	914	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:2:4:1:	4:2:3:	4:2:	N[6]-3:N[6]-2:C-4:H-1:	C[6]-4:N[6]-2:C-3:	C[6]-4:N[6]-2:	C[6](N[6]N[6]C)(N[6]N[6])(CH3)(H)	N[6](C[6]N[6]CH)(N[6]C[6])(CCO)	N[6](C[6]N[6]CH)(N[6]C[6])	C[6](N[6]N[6]C)(N[6]N[6])(CH3)(H){1|C<3>}	N[6](C[6]N[6]CH)(N[6]C[6])(CCO){1|C<3>,1|N<2>}	N[6](C[6]N[6]CH)(N[6]C[6]){1|N<2>,2|C<3>}	105.6640	0.567	2	105.6640	0.322	2	105.6640	0.322	2	105.6640	0.322	2	111.2554	9.715	26	111.3946	8.856	31
466	856	914	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:2:4:3:	3:4:3:	3:4:	N[6]-3:N[6]-2:C-4:C-3:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:	C[6](N[6]C[6a]C[6])(N[6]C[6])(CF3)(COO)	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6]H)	N[6](C[6]C[6a]C[6])(C[6]N[6]CC)	C[6](N[6]C[6a]C[6])(N[6]C[6])(CF3)(COO){1|H<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])(C[6]N[6]CC){1|C<4>,4|C<3>}	113.9850	0.000	1	113.9850	0.000	1	113.9850	0.000	1	113.9850	0.000	1	111.2554	9.715	26	111.3946	8.856	31
466	856	914	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:2:4:3:	3:4:3:	4:3:	N[6]-3:N[6]-2:C-4:C-3:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[6])(CF3)(COO)	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6]H)	N[6](C[6]N[6]CC)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(N[6]C[6])(CF3)(COO){2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6]H){2|H<1>,4|C<3>}	N[6](C[6]N[6]CC)(C[6]C[6]H){3|C<3>}	113.5730	0.000	1	113.5730	0.000	1	113.5730	0.000	1	113.5730	0.000	1	111.2554	9.715	26	111.3946	8.856	31
466	856	914	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:2:4:3:	4:3:4:	3:4:	N[6]-3:N[6]-2:C-4:C-3:	C[3,6]-4:C[6a]-3:C[6]-4:	C[6]-3:C[6]-4:	C[6](N[6]C[3,6]C[6a])(N[6]C[6])(CF3)(COO)	N[6](C[3,6]C[3,6]C[3]H)(C[6a]C[6a]2)(C[6]N[6]CC)	N[6](C[6]C[3,6]C[6a])(C[6]N[6]CC)	C[6](N[6]C[3,6]C[6a])(N[6]C[6])(CF3)(COO){1|H<1>,2|C<4>,3|C<3>}	N[6](C[3,6]C[3,6]C[3]H)(C[6a]C[6a]2)(C[6]N[6]CC){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[3,6]C[6a])(C[6]N[6]CC){1|H<1>,2|C<4>,3|C<3>}	115.1480	0.000	1	115.1480	0.000	1	115.1480	0.000	1	115.1480	0.000	1	111.2554	9.715	26	111.3946	8.856	31
466	856	914	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:2:4:4:	3:3:4:	3:4:	N[6]-3:N[6]-2:C-4:C-4:	C[6]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(CH3)2	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]CC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(CH3)2{1|O<1>,4|C<3>}	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]CC){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC){1|H<1>,4|C<3>}	106.3560	0.000	1	106.3560	0.000	1	106.3560	0.000	1	106.3560	0.000	1	111.2554	9.715	26	111.3946	8.856	31
466	856	914	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:2:4:4:	3:4:1:	3:4:	N[6]-3:N[6]-2:C-4:C-4:	C[5a,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:	C[6](N[6]C[5a,6]H)(N[6]C[6])(CH3)2	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]CC)(H)	N[6](C[6]C[5a,6]C)(C[6]N[6]CC)	C[6](N[6]C[5a,6]H)(N[6]C[6])(CH3)2{1|N<3>,2|C<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]CC)(H){1|N<2>,3|C<3>}	N[6](C[6]C[5a,6]C)(C[6]N[6]CC){1|C<3>,1|H<1>,1|N<2>}	114.3170	0.000	1	114.3170	0.000	1	112.1390	3.597	3	113.4994	5.521	5	111.2554	9.715	26	111.3946	8.856	31
466	856	914	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:2:4:4:	3:4:1:	3:4:	N[6]-3:N[6]-2:C-4:C-4:	C[5a,6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:	C[6](N[6]C[5a,6]H)(N[6]C[6])(CH3)2	N[6](C[5a,6]N[5a,6]N[5a])(C[6]N[6]CC)(H)	N[6](C[6]N[5a,6]N)(C[6]N[6]CC)	C[6](N[6]C[5a,6]H)(N[6]C[6])(CH3)2{1|N<2>,2|N<3>}	N[6](C[5a,6]N[5a,6]N[5a])(C[6]N[6]CC)(H){1|N<2>,2|C<3>}	N[6](C[6]N[5a,6]N)(C[6]N[6]CC){1|C<3>,1|H<1>,1|N<2>}	111.0500	0.280	2	111.0500	0.078	2	112.1390	3.597	3	113.4994	5.521	5	111.2554	9.715	26	111.3946	8.856	31
466	856	914	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:2:4:4:	3:4:1:	3:4:	N[6]-3:N[6]-2:C-4:C-4:	C[6,6a]-3:C[6]-4:H-1:	N[6]-3:C[6]-4:	C[6](N[6]C[6,6a]H)(N[6]N[6])(CF3)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	N[6](N[6]C[6,6a]O)(C[6]N[6]CC)	C[6](N[6]C[6,6a]H)(N[6]N[6])(CF3)2{1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](N[6]C[6,6a]O)(C[6]N[6]CC){1|H<1>,2|C<3>}	115.5400	1.004	2	115.5400	1.008	2	115.5400	1.008	2	113.4994	5.521	5	111.2554	9.715	26	111.3946	8.856	31
466	856	914	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:2:4:4:	4:3:4:	4:4:	N[6]-3:N[6]-2:C-4:C-4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-4:	C[6](N[6]C[6]C)(N[6]C[6])(CH3)2	N[6](C[6]N[6]CC)(C[6]C[6]H)(CCCH)	N[6](C[6]C[6]TaC)(C[6]N[6]CC)	C[6](N[6]C[6]C)(N[6]C[6])(CH3)2{1|Ta<12>,1|C<4>,1|C<5>,1|H<1>}	N[6](C[6]N[6]CC)(C[6]C[6]H)(CCCH){1|Ta<12>,1|C<4>,1|N<3>}	N[6](C[6]C[6]TaC)(C[6]N[6]CC){1|C<3>,1|C<4>,1|N<3>}	111.6370	0.000	1	111.6370	0.000	1	111.6370	0.000	1	111.6370	0.000	1	111.2554	9.715	26	111.3946	8.856	31
466	856	914	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:1:	3:4:1:	3:4:	N[6]-3:C[6a]-3:N[6]-2:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	N[6](C[6]C[6,6a]C[6a])(C[6]C[6a]N[6]H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H){1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[6a])(C[6]C[6a]N[6]H){1|H<1>,6|C<3>}	110.5190	0.000	1	111.2410	1.043	2	111.2410	1.043	2	111.2410	1.043	2	111.2554	9.715	26	111.3946	8.856	31
466	856	914	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:1:	3:4:1:	3:4:	N[6]-3:C[6a]-3:N[6]-2:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	N[6](C[6]C[6,6a]C[6a])(C[6]C[6a]N[6]H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H){2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[6a])(C[6]C[6a]N[6]H){1|H<1>,6|C<3>}	111.9630	0.000	1	111.2410	1.043	2	111.2410	1.043	2	111.2410	1.043	2	111.2554	9.715	26	111.3946	8.856	31
466	856	914	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:1:	4:3:1:	4:3:	C[6a]-3:N[6]-3:N[6]-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6a]N[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6a]N[6]H)(C[6]N[6]N)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(H){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	N[6](C[6]C[6a]N[6]H)(C[6]N[6]N)(H){3|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]N[6]N){1|H<1>,3|C<3>}	110.6060	0.344	6	110.6060	0.119	6	110.9323	0.844	7	110.9323	0.844	7	111.2554	9.715	26	111.3946	8.856	31
466	856	914	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:1:	4:3:1:	4:3:	C[6a]-3:N[6]-3:N[6]-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6a]N[6]H)(C[6]N[6]S)(H)	N[6](C[6]C[6a]N[6]H)(C[6]N[6]S)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(H){1|N<3>,1|S<1>,1|S<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]N[6]S)(H){1|H<1>,3|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]N[6]S){2|H<1>,3|C<3>}	112.8900	0.000	1	112.8900	0.000	1	110.9323	0.844	7	110.9323	0.844	7	111.2554	9.715	26	111.3946	8.856	31
466	856	914	6:SP3_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:1:	4:3:3:	4:3:	N[6]-3:C[6a]-3:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6])(H)	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C)	N[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6])(H){1|C<4>,2|H<1>,6|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C){3|H<1>,5|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6]){1|H<1>,6|C<3>}	111.3690	0.000	1	111.3690	0.000	1	111.3690	0.000	1	111.3690	0.000	1	111.2554	9.715	26	111.3946	8.856	31
466	856	914	6:SP3_SP2_SP3	C[6,6]	N[6,6]	N[6]	3:4:2:1:	4:4:3:	3:4:	N[6,6]-3:C[6]-4:N[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6,6]-3:C[6,6]-4:	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[6]HH)(N[6]C[6,6])(H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6a]C[6a]2)	N[6](C[6,6]C[6,6]N[6,6])(C[6,6]N[6,6]C[6]H)	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[6]HH)(N[6]C[6,6])(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6a]C[6a]2){1|C<4>,4|C<3>,6|H<1>}	N[6](C[6,6]C[6,6]N[6,6])(C[6,6]N[6,6]C[6]H){1|C<2>,2|H<1>,3|C<3>,3|C<4>}	110.6890	0.000	1	110.6890	0.000	1	110.6890	0.000	1	110.6890	0.000	1	110.6890	0.000	1	112.5513	10.197	19
466	856	914	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	2:3:1:1:	4:4:1:	3:4:	N[6]-2:N[6]-3:H-1:H-1:	S[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:	C[6](N[6]C[6,6a])(N[6]S[6]H)(H)2	N[6](S[6]C[6,6a]OO)(C[6]N[6]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)	C[6](N[6]C[6,6a])(N[6]S[6]H)(H)2{2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]N[6]HH)(H){2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH){1|S<4>,2|C<3>,2|H<1>}	111.8790	0.000	1	111.8790	0.000	1	111.8790	0.000	1	111.8790	0.000	1	112.6547	10.581	18	112.5513	10.197	19
466	856	914	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	2:3:1:1:	4:4:3:	3:4:	N[6]-2:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6,6]-3:C[6]-4:	C[6](N[6]C[6,6])(N[6]C[6]N)(H)2	N[6](C[6]N[6,6]HH)(C[6]N[6]HH)(NOO)	N[6](C[6,6]N[6,6]C[6])(C[6]N[6]HH)	C[6](N[6]C[6,6])(N[6]C[6]N)(H)2{1|C<4>,1|N<3>,2|H<1>}	N[6](C[6]N[6,6]HH)(C[6]N[6]HH)(NOO){1|C<3>,1|C<4>}	N[6](C[6,6]N[6,6]C[6])(C[6]N[6]HH){3|C<4>,3|N<3>}	114.1800	0.000	1	114.1800	0.000	1	114.1800	0.000	1	114.1800	0.000	1	112.6547	10.581	18	112.5513	10.197	19
466	856	914	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:2:1:1:	4:4:3:	4:3:	N[6]-3:N[6]-2:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:C[6]-3:	C[6](N[6]C[6]N)(N[6]C[6])(H)2	N[6](C[6]N[6]HH)2(NOO)	N[6](C[6]N[6]HH)(C[6]N[6]C)	C[6](N[6]C[6]N)(N[6]C[6])(H)2{1|C<4>,1|N<3>,2|H<1>}	N[6](C[6]N[6]HH)2(NOO){1|C<3>,1|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]C){1|C<4>,1|H<1>,1|N<3>}	113.9070	0.528	3	113.9017	0.595	6	113.9017	0.595	6	113.9017	0.595	6	112.6547	10.581	18	112.5513	10.197	19
466	856	914	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:2:1:1:	4:4:3:	4:3:	N[6]-3:N[6]-2:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:C[6]-3:	C[6](N[6]C[6]N)(N[6]C[6])(H)2	N[6](C[6]N[6]HH)2(NOO)	N[6](C[6]N[6]HH)(C[6]N[6]C)	C[6](N[6]C[6]N)(N[6]C[6])(H)2{1|C<4>,1|N<3>,2|H<1>}	N[6](C[6]N[6]HH)2(NOO){1|C<3>,1|N<2>}	N[6](C[6]N[6]HH)(C[6]N[6]C){1|C<4>,1|N<2>,1|N<3>}	112.6270	0.000	1	113.9017	0.595	6	113.9017	0.595	6	113.9017	0.595	6	112.6547	10.581	18	112.5513	10.197	19
466	856	914	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:2:1:1:	4:4:3:	4:3:	N[6]-3:N[6]-2:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:C[6]-3:	C[6](N[6]C[6]N)(N[6]C[6])(H)2	N[6](C[6]N[6]HH)2(NOO)	N[6](C[6]N[6]HH)(C[6]N[6]C)	C[6](N[6]C[6]N)(N[6]C[6])(H)2{1|C<4>,1|N<3>,2|H<1>}	N[6](C[6]N[6]HH)2(NOO){1|C<3>,1|N<3>}	N[6](C[6]N[6]HH)(C[6]N[6]C){1|C<4>,2|N<3>}	114.5310	0.020	2	113.9017	0.595	6	113.9017	0.595	6	113.9017	0.595	6	112.6547	10.581	18	112.5513	10.197	19
466	856	914	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:2:4:1:	4:4:3:	4:3:	N[6]-3:N[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6])(CC3)(H)	N[6](C[6]C[6]CH)(C[6]N[6]CH)(CC[6a]O)	N[6](C[6]N[6]CH)(C[6]C[6]O)	C[6](N[6]C[6]C)(N[6]C[6])(CC3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[6](C[6]C[6]CH)(C[6]N[6]CH)(CC[6a]O){1|C<3>,2|H<1>}	N[6](C[6]N[6]CH)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	114.7680	0.000	1	114.7680	0.000	1	114.7680	0.000	1	114.7680	0.000	1	112.6547	10.581	18	112.5513	10.197	19
466	856	914	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:2:4:3:	4:3:4:	3:4:	N[6]-3:N[6]-2:C-4:C-3:	C[3,6]-4:C[6a]-3:C[6]-4:	C[6]-3:C[6]-4:	C[6](N[6]C[3,6]C[6a])(N[6]C[6])(CF3)(COO)	N[6](C[3,6]C[3,6]C[3]H)(C[6a]C[6a]2)(C[6]N[6]CC)	N[6](C[6]C[3,6]C[6a])(C[6]N[6]CC)	C[6](N[6]C[3,6]C[6a])(N[6]C[6])(CF3)(COO){1|H<1>,2|C<4>,3|C<3>}	N[6](C[3,6]C[3,6]C[3]H)(C[6a]C[6a]2)(C[6]N[6]CC){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[3,6]C[6a])(C[6]N[6]CC){1|H<1>,2|C<4>,3|C<3>}	114.9850	0.000	1	114.9850	0.000	1	114.9850	0.000	1	114.9850	0.000	1	112.6547	10.581	18	112.5513	10.197	19
466	856	914	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:2:4:4:	3:4:1:	3:4:	N[6]-3:N[6]-2:C-4:C-4:	C[6,6a]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:	C[6](N[6]C[6,6a]H)(N[6]C[6])(CCHH)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	N[6](C[6]C[6,6a]O)(C[6]N[6]CC)	C[6](N[6]C[6,6a]H)(N[6]C[6])(CCHH)2{1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)(C[6]N[6]CC){1|H<1>,2|C<3>}	106.6140	0.000	3	106.6140	0.000	3	106.6140	0.000	3	106.6140	0.000	3	112.6547	10.581	18	112.5513	10.197	19
466	856	914	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:2:1:	3:4:1:	3:4:	N[6]-3:C[6a]-3:N[6]-2:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	N[6](C[6]C[6,6a]C[6a])(C[6]C[6a]N[6]H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H){1|H<1>,1|O<2>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[6a])(C[6]C[6a]N[6]H){1|H<1>,6|C<3>}	110.0100	0.000	1	110.0100	0.000	1	110.0100	0.000	1	110.0100	0.000	1	112.6547	10.581	18	112.5513	10.197	19
466	856	914	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:2:1:	3:4:1:	4:4:	N[6]-3:C[6a]-3:N[6]-2:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H){4|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|C<4>,1|H<1>,4|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	112.3870	0.188	2	112.3870	0.035	2	112.3870	0.035	2	112.3870	0.035	2	112.6547	10.581	18	112.5513	10.197	19
466	856	914	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:2:1:	4:4:1:	4:3:	C[6a]-3:N[6]-3:N[6]-2:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(H){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(H){1|H<1>,6|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6]){1|C<4>,2|H<1>,5|C<3>}	117.6340	0.000	1	117.6340	0.000	1	117.6340	0.000	1	117.6340	0.000	1	112.6547	10.581	18	112.5513	10.197	19
466	856	914	6:SP3_SP2_SP3	C[6]	N[6]	N[6]	3:3:2:3:	4:4:1:	4:3:	C[6a]-3:N[6]-3:N[6]-2:C-3:	C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(CCH)	N[6](C[6]C[6a]N[6]C)(C[6]C[6]CC)(H)	N[6](C[6]C[6a]N[6]C)(C[6]C[6a]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(CCH){2|H<1>,3|C<3>,3|C<4>}	N[6](C[6]C[6a]N[6]C)(C[6]C[6]CC)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6a]N[6]C)(C[6]C[6a]C[6]){1|C<4>,3|H<1>,4|C<3>}	116.3030	0.000	1	116.3030	0.000	1	116.3030	0.000	1	116.3030	0.000	1	112.6547	10.581	18	112.5513	10.197	19
466	856	922	6:SP3_SP2_SP3	C[6]	N[6]	S[6]	3:3:3:1:	4:3:3:	3:4:1:	N[6]-3:S[6]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6](N[6]C[6a]C[6])(S[6]C[6,6a]O)(C[6a]C[6a]2)(H)	N[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(O)	C[6](N[6]C[6a]C[6])(S[6]C[6,6a]O)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,6|C<3>}	N[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(O){1|H<1>,6|C<3>}	108.7100	0.000	1	108.7100	0.000	1	108.7100	0.000	1	108.7100	0.000	1	111.0020	3.241	4	111.0020	3.241	4
466	856	922	6:SP3_SP2_SP3	C[6]	N[6]	S[6]	3:3:3:1:	4:3:3:	4:4:1:	N[6]-3:C[6a]-3:S[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:C[6]-4:O-1:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6]O)(H)	N[6](C[6]C[6a]S[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	S[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(O)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6]O)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	N[6](C[6]C[6a]S[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	S[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(O){1|H<1>,1|N<3>,4|C<3>}	112.3735	0.711	2	111.7660	1.360	3	111.7660	1.360	3	111.7660	1.360	3	111.0020	3.241	4	111.0020	3.241	4
466	856	922	6:SP3_SP2_SP3	C[6]	N[6]	S[6]	3:3:3:1:	4:3:3:	4:4:1:	N[6]-3:C[6a]-3:S[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:C[6]-4:O-1:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6]O)(H)	N[6](C[6]C[6a]S[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	S[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(O)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6]O)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	N[6](C[6]C[6a]S[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	S[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(O){2|H<1>,4|C<3>}	110.5510	0.000	1	111.7660	1.360	3	111.7660	1.360	3	111.7660	1.360	3	111.0020	3.241	4	111.0020	3.241	4
466	856	924	0:SP3_SP-NON_SP2	C[6]	N[6]	Br	3:3:1:1:	4:3:3:	4:	C[6]-3:N[6]-3:Br-1:H-1:	C[6]-4:N[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]O)(N[6]N[6]C)(Br)(H)	N[6](C[6]C[6]BrH)(N[6]C[6]C)(COO)	Br(C[6]C[6]N[6]H)	C[6](C[6]C[6]O)(N[6]N[6]C)(Br)(H){1|Br<1>,2|C<3>}	N[6](C[6]C[6]BrH)(N[6]C[6]C)(COO){1|C<3>,1|H<1>,1|O<1>}	Br(C[6]C[6]N[6]H)	112.5560	0.000	1	112.5560	0.000	1	112.5560	0.000	1	112.5560	0.000	1	112.5560	0.000	1	112.5560	0.000	1
466	856	930	0:SP3_SP2_SP2	C[6,6]	N[6]	C	4:4:3:3:	4:3:4:	4:2:1:	C[6,6]-4:C[6]-4:N[6]-3:C-3:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:O-2:O-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(COO)	N[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CC[6a]HH)	C(C[6,6]C[6,6]C[6]N[6])(OC)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(COO){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	N[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|C<4>,4|H<1>}	C(C[6,6]C[6,6]C[6]N[6])(OC)(O)	111.0000	0.000	1	111.0000	0.000	1	111.0000	0.000	1	111.0000	0.000	1	111.0000	0.000	1	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6,6]	C	3:3:3:1:	4:4:3:	4:3:1:	C[5a,6]-3:N[6,6]-3:C-3:H-1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6]-4:C-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(CCH)(H)	N[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2H)(C[6]C[5,6]O)	C(C[6]C[5a,6]N[6,6]H)(CCC)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(CCH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2H)(C[6]C[5,6]O){1|C<3>,1|C<4>,1|O<1>,2|N<3>,3|H<1>}	C(C[6]C[5a,6]N[6,6]H)(CCC)(H)	108.5810	0.000	1	108.5810	0.000	1	109.1835	0.726	2	109.1835	0.726	2	111.0130	3.887	5	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6,6]	C	3:3:3:1:	4:4:3:	4:3:1:	C[5a,6]-3:N[6,6]-3:C-3:H-1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6]-4:C-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(CCH)(H)	N[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2O)(C[6]C[5,6]O)	C(C[6]C[5a,6]N[6,6]H)(CCC)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(CCH)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>}	N[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2O)(C[6]C[5,6]O){1|C<3>,1|C<4>,1|H<1>,2|N<3>,2|O<1>}	C(C[6]C[5a,6]N[6,6]H)(CCC)(H)	109.7860	0.000	1	109.7860	0.000	1	109.1835	0.726	2	109.1835	0.726	2	111.0130	3.887	5	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6,6]	C	3:4:3:1:	4:4:3:	4:2:1:	N[6,6]-3:C[6]-4:C-3:H-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6]-4:O-2:O-1:	C[6](N[6,6]C[3x6]C[6])(C[6]O[6]HH)(COO)(H)	N[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6]C[6]CH)(C[6]C[6]O)	C(C[6]N[6,6]C[6]H)(OC)(O)	C[6](N[6,6]C[3x6]C[6])(C[6]O[6]HH)(COO)(H){1|O<1>,2|C<3>,2|C<4>}	N[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C(C[6]N[6,6]C[6]H)(OC)(O)	110.7060	0.000	1	110.7060	0.000	1	110.7060	0.000	1	112.2327	1.832	3	111.0130	3.887	5	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6,6]	C	3:4:3:1:	4:4:3:	4:2:1:	N[6,6]-3:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:O-2:O-1:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(COO)(H)	N[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O)	C(C[6]N[6,6]C[6]H)(OC)(O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(COO)(H){1|O<1>,2|C<3>,3|C<4>}	N[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C(C[6]N[6,6]C[6]H)(OC)(O)	113.2850	0.000	1	113.2850	0.000	1	112.9960	0.167	2	112.2327	1.832	3	111.0130	3.887	5	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6,6]	C	3:4:3:1:	4:4:3:	4:2:1:	N[6,6]-3:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:O-2:O-1:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(COO)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)	C(C[6]N[6,6]C[6]H)(OC)(O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(COO)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	C(C[6]N[6,6]C[6]H)(OC)(O)	112.7070	0.000	1	112.7070	0.000	1	112.9960	0.167	2	112.2327	1.832	3	111.0130	3.887	5	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:2:3:1:	4:3:4:	4:2:1:	N[6]-3:O[6]-2:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(COO)(H)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]CH)	C(C[6]N[6]O[6]H)(OC)(O)	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(COO)(H){1|H<1>,5|C<3>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]CH){2|H<1>,4|C<3>}	C(C[6]N[6]O[6]H)(OC)(O)	113.5400	0.000	1	113.5400	0.000	1	113.5400	0.000	1	113.5400	0.000	1	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:2:4:3:	3:4:3:	4:2:1:	N[6]-3:N[6]-2:C-4:C-3:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:O-2:O-1:	C[6](N[6]C[6a]C[6])(N[6]C[6])(CF3)(COO)	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6]H)	C(C[6]N[6]2C)(OC)(O)	C[6](N[6]C[6a]C[6])(N[6]C[6])(CF3)(COO){1|H<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]N[6]2C)(OC)(O)	109.2020	0.000	1	111.0700	6.979	2	111.0700	6.979	2	111.0700	6.979	2	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:2:4:3:	3:4:3:	4:2:1:	N[6]-3:N[6]-2:C-4:C-3:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:O-2:O-1:	C[6](N[6]C[6a]C[6])(N[6]C[6])(CF3)(COO)	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6]H)	C(C[6]N[6]2C)(OC)(O)	C[6](N[6]C[6a]C[6])(N[6]C[6])(CF3)(COO){2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6]H){2|H<1>,4|C<3>}	C(C[6]N[6]2C)(OC)(O)	112.9380	0.000	1	111.0700	6.979	2	111.0700	6.979	2	111.0700	6.979	2	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:2:4:3:	4:3:4:	4:2:1:	N[6]-3:N[6]-2:C-4:C-3:	C[3,6]-4:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](N[6]C[3,6]C[6a])(N[6]C[6])(CF3)(COO)	N[6](C[3,6]C[3,6]C[3]H)(C[6a]C[6a]2)(C[6]N[6]CC)	C(C[6]N[6]2C)(OC)(O)	C[6](N[6]C[3,6]C[6a])(N[6]C[6])(CF3)(COO){1|H<1>,2|C<4>,3|C<3>}	N[6](C[3,6]C[3,6]C[3]H)(C[6a]C[6a]2)(C[6]N[6]CC){1|C<4>,3|H<1>,4|C<3>}	C(C[6]N[6]2C)(OC)(O)	113.4440	0.000	1	113.4440	0.000	1	113.4440	0.000	1	113.4440	0.000	1	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:3:2:3:	4:3:1:	4:2:1:	C[6a]-3:N[6]-3:O[6]-2:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-4:O-2:O-1:	C[6](C[6a]C[6a]2)(N[6]C[6]H)(O[6]C[6])(COO)	N[6](C[6]C[6a]O[6]C)(C[6]C[6]C)(H)	C(C[6]C[6a]N[6]O[6])(OC)(O)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(O[6]C[6])(COO){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]O[6]C)(C[6]C[6]C)(H){1|H<1>,3|C<3>}	C(C[6]C[6a]N[6]O[6])(OC)(O)	110.2510	0.000	1	110.2510	0.000	1	110.2510	0.000	1	110.2510	0.000	1	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:3:3:1:	3:3:4:	4:3:1:	N[6]-3:C[6]-3:C-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:N-3:O-1:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CNO)(H)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)	C(C[6]C[6]N[6]H)(NCH)(O)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CNO)(H){1|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH){1|H<1>,1|O<2>,7|C<3>}	C(C[6]C[6]N[6]H)(NCH)(O)	109.5770	0.000	1	109.5770	0.000	1	109.5770	0.000	1	110.5435	1.868	2	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:3:3:1:	3:3:4:	4:3:1:	N[6]-3:N[6]-3:C-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]C)(CCH)(H)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]CH)	C(C[6]N[6]2H)(CC[6a]H)(H)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]C)(CCH)(H){1|O<1>,4|C<3>}	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]CH){1|C<4>,2|H<1>,4|C<3>}	C(C[6]N[6]2H)(CC[6a]H)(H)	111.5100	0.000	1	111.5100	0.000	1	111.5100	0.000	1	110.5435	1.868	2	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:3:3:1:	3:4:3:	4:3:1:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:N-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CNO)(H)	N[6](C[6,6a]C[6,6a]2)(C[6]C[6,6a]CH)(CCO)	C(C[6]C[6,6a]N[6]H)(NC[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CNO)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]2)(C[6]C[6,6a]CH)(CCO){1|O<2>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(NC[6]H)(O)	112.6310	0.000	1	112.6310	0.000	1	112.6310	0.000	1	112.6310	0.000	1	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:3:3:1:	3:4:4:	3:4:3:	N[6]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6a]-3:C[6]-4:C-3:	C[6](N[6]C[6,6a]S)(N[6]S[6]C)(CC[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(SC[6a]OO)	C(C[6a]C[6a]2)(C[6]N[6]2H)(CHH)	C[6](N[6]C[6,6a]S)(N[6]S[6]C)(CC[6a]C)(H){2|C<3>,2|O<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(SC[6a]OO){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C(C[6a]C[6a]2)(C[6]N[6]2H)(CHH)	113.3460	0.000	1	113.3460	0.000	1	113.3460	0.000	1	113.5395	0.075	2	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:3:3:1:	3:4:4:	3:4:3:	N[6]-3:N[6]-3:C-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6a]-3:C[6]-4:C-3:	C[6](N[6]C[6,6a]S)(N[6]C[6]C)(CC[6a]C)(H)	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CH3)	C(C[6a]C[6a]2)(C[6]N[6]2H)(CHH)	C[6](N[6]C[6,6a]S)(N[6]C[6]C)(CC[6a]C)(H){1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CH3){1|S<4>,2|C<3>}	C(C[6a]C[6a]2)(C[6]N[6]2H)(CHH)	113.7330	0.000	1	113.7330	0.000	1	113.7330	0.000	1	113.5395	0.075	2	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:3:3:1:	3:4:4:	4:1:1:	C[6]-3:N[6]-3:C-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:H-1:H-1:	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CHH)(H)	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CCCH)	C(C[6]C[6]N[6]H)(H)2	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CHH)(H){1|O<1>,2|C<4>}	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CCCH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6]H)(H)2	112.6510	0.000	1	112.6510	0.000	1	112.6510	0.000	1	112.6510	0.000	1	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:3:3:1:	3:4:4:	4:3:1:	C[6]-3:N[6]-3:C-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:C-3:H-1:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCH)(H)	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CC[6a]HH)	C(C[6]C[6]N[6]H)(CHH)(H)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCH)(H){1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CC[6a]HH){1|N<3>,1|O<1>,2|C<4>}	C(C[6]C[6]N[6]H)(CHH)(H)	111.8465	1.199	2	111.8465	1.437	2	111.8465	1.437	2	111.7570	0.309	6	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:3:3:1:	3:4:4:	4:3:1:	N[6]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:C-3:H-1:	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]C)(CCH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CC[6a]HH)	C(C[6]N[6]2H)(CC[6a]H)(H)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]C)(CCH)(H){1|O<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CC[6a]HH){1|H<1>,4|C<3>}	C(C[6]N[6]2H)(CC[6a]H)(H)	111.8410	0.000	1	111.8410	0.000	1	111.8410	0.000	1	111.7570	0.309	6	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:3:3:1:	3:4:4:	4:3:1:	N[6]-3:N[6]-3:C-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:C-3:H-1:	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CCH)(H)	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CC[6a]HH)	C(C[6]N[6]2H)(CC[5a]H)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CCH)(H){1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CC[6a]HH){1|H<1>,2|C<3>}	C(C[6]N[6]2H)(CC[5a]H)(H)	111.6693	0.179	3	111.6693	0.032	3	111.6693	0.032	3	111.7570	0.309	6	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:3:3:1:	3:4:4:	4:3:4:	N[6]-3:N[6]-3:C-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:C-3:C-4:	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CCC)(H)	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CC[5a]HH)	C(C[6]N[6]2H)(CC[5a]H)(CH3)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CCC)(H){1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CC[5a]HH){1|H<1>,2|C<3>}	C(C[6]N[6]2H)(CC[5a]H)(CH3)	111.1240	0.000	1	111.1240	0.000	1	111.3595	0.111	2	111.3595	0.111	2	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:3:3:1:	3:4:4:	4:3:4:	N[6]-3:N[6]-3:C-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:C-3:C-4:	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CCC)(H)	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CC[6a]HH)	C(C[6]N[6]2H)(CC[5a]H)(CH3)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CCC)(H){1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CC[6a]HH){1|H<1>,2|C<3>}	C(C[6]N[6]2H)(CC[5a]H)(CH3)	111.5950	0.000	1	111.5950	0.000	1	111.3595	0.111	2	111.3595	0.111	2	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:3:3:1:	4:3:1:	4:1:1:	C[6]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:H-1:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CHH)(H)	N[6](C[6]C[6]CH)(C[6]N[6]S)(H)	C(C[6]C[6]N[6]H)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(CHH)(H){1|C<4>,1|N<3>,1|S<1>}	N[6](C[6]C[6]CH)(C[6]N[6]S)(H){1|H<1>,2|C<3>}	C(C[6]C[6]N[6]H)(H)2	109.6680	0.000	1	109.6680	0.000	1	109.6680	0.000	1	109.6680	0.000	1	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:3:3:1:	4:3:2:	4:3:1:	C[5a,6]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6a]-3:O[6]-2:	C[6]-4:C-3:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]O[6])(CCH)(H)	N[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(O[6]C[6])	C(C[6]C[5a,6]N[6]H)(CC[6a]H)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]O[6])(CCH)(H){1|C<4>,1|N<3>,4|C<3>}	N[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(O[6]C[6]){2|C<4>,2|H<1>,4|C<3>}	C(C[6]C[5a,6]N[6]H)(CC[6a]H)(H)	115.1400	0.000	1	115.1400	0.000	1	115.1400	0.000	1	115.1400	0.000	1	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:3:3:1:	4:3:3:	4:3:2:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C-3:N-2:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCN)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(COO)	C(C[6]C[6,6a]N[6]H)(COO)(NN)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCN)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C(C[6]C[6,6a]N[6]H)(COO)(NN)	114.0440	0.000	1	114.0440	0.000	1	114.0440	0.000	1	114.0440	0.000	1	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:3:3:1:	4:3:3:	4:4:2:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:P-4:N-2:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CNP)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(COO)	C(C[6]C[6,6a]N[6]H)(PO3)(NN)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CNP)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C(C[6]C[6,6a]N[6]H)(PO3)(NN)	110.5670	0.000	1	110.5670	0.000	1	110.5670	0.000	1	110.5670	0.000	1	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:3:3:1:	4:3:4:	4:2:1:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(COO)(H)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]CH)	C(C[6]C[6,6a]N[6]H)(OC)(O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(COO)(H){1|H<1>,1|O<2>,6|C<3>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]CH){2|H<1>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(OC)(O)	110.1630	0.000	1	110.1630	0.000	1	110.1630	0.000	1	110.1885	0.001	2	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:3:3:1:	4:3:4:	4:2:1:	C[6]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:O-2:O-1:	C[6](C[6]N[6]O)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C(C[6]C[6]N[6]H)(OC)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(COO)(H){1|O<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|N<3>,1|O<1>,2|H<1>}	C(C[6]C[6]N[6]H)(OC)(O)	110.2140	0.000	1	110.2140	0.000	1	110.2140	0.000	1	110.1885	0.001	2	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:3:3:1:	4:3:4:	4:3:1:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCH)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]O)(SC[6a]OO)	C(C[6]C[6,6a]N[6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]O)(SC[6a]OO){2|C<3>,2|H<1>}	C(C[6]C[6,6a]N[6]H)(CHH)(H)	110.4340	0.000	1	110.4340	0.000	1	111.4140	1.921	2	112.3377	3.605	4	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:3:3:1:	4:3:4:	4:3:1:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCH)(H)	N[6](C[6]C[6,6a]CH)(C[6]N[6]O)(SC[6a]OO)	C(C[6]C[6,6a]N[6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]N[6]O)(SC[6a]OO){1|H<1>,2|C<3>}	C(C[6]C[6,6a]N[6]H)(CHH)(H)	112.3940	0.000	1	112.3940	0.000	1	111.4140	1.921	2	112.3377	3.605	4	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:3:3:1:	4:3:4:	4:3:1:	C[6]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	C(C[6]C[6]N[6]H)(CC[4]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH)(H){1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CC[4]C)(H)	111.6060	0.000	1	111.6060	0.000	1	111.6060	0.000	1	112.3377	3.605	4	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:3:3:1:	4:3:4:	4:3:1:	C[6]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:C-3:H-1:	C[6](C[6]N[6]C)(N[6]C[6]S)(CCH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(SC[6a]OO)	C(C[6]C[6]N[6]H)(CCH)(H)	C[6](C[6]N[6]C)(N[6]C[6]S)(CCH)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(SC[6a]OO){1|N<3>,2|C<3>}	C(C[6]C[6]N[6]H)(CCH)(H)	114.9170	0.000	1	114.9170	0.000	1	114.9170	0.000	1	112.3377	3.605	4	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:3:3:1:	4:3:4:	4:4:1:	C[6]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C-4:O-1:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	C(C[6]C[6]N[6]H)(CH3)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCO)(H){1|O<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|N<3>,1|O<1>,2|H<1>}	C(C[6]C[6]N[6]H)(CH3)(O)	111.4680	0.000	1	111.4680	0.000	1	111.4680	0.000	1	111.4680	0.000	1	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:3:3:1:	4:4:3:	4:2:1:	C[5a,6]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:O-2:O-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(COO)(H)	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(CCO)	C(C[6]C[5a,6]N[6]H)(OC)(O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(COO)(H){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(CCO){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[6]C[5a,6]N[6]H)(OC)(O)	111.7900	0.000	1	111.7900	0.000	1	111.7900	0.000	1	111.7900	0.000	1	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:3:3:2:	4:3:3:	4:3:1:	C[6,6a]-3:N[6]-3:C-3:O-2:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN[6]O)(OH)	N[6](C[6]C[6,6a]CO)(C[6a]C[6a]2)(C[6]N[6]O)	C(C[6]C[6,6a]N[6]O)(N[6]C[6]2)(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN[6]O)(OH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[6](C[6]C[6,6a]CO)(C[6a]C[6a]2)(C[6]N[6]O){3|H<1>,4|C<3>}	C(C[6]C[6,6a]N[6]O)(N[6]C[6]2)(O)	110.3880	0.885	2	110.3880	0.784	2	110.3880	0.784	2	110.3880	0.784	2	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:3:3:2:	4:3:4:	4:2:1:	C[6]-3:N[6]-3:C-3:S-2:	C[6]-4:C[6]-3:C-4:	C[6]-4:O-2:O-1:	C[6](C[6]N[6]O)(N[6]C[6]C)(COO)(SC)	N[6](C[6]C[6]CS)(C[6]C[6]O)(CH3)	C(C[6]C[6]N[6]S)(OC)(O)	C[6](C[6]N[6]O)(N[6]C[6]C)(COO)(SC){1|O<1>,2|C<4>}	N[6](C[6]C[6]CS)(C[6]C[6]O)(CH3){1|C<3>,1|N<3>,1|O<1>,1|S<2>}	C(C[6]C[6]N[6]S)(OC)(O)	110.0280	0.000	1	110.0280	0.000	1	110.0280	0.000	1	110.0280	0.000	1	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:3:3:3:	3:4:1:	4:2:1:	C[5a]-3:N[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6,6a]H)(C[6]O[6]O)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]C)(H)	C(C[6]C[5a]C[6]N[6])(OC)(O)	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6,6a]H)(C[6]O[6]O)(COO){1|H<1>,1|N<3>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	C(C[6]C[5a]C[6]N[6])(OC)(O)	110.5090	0.000	1	110.5090	0.000	1	110.5090	0.000	1	110.5090	0.000	1	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:3:3:3:	3:4:3:	4:3:1:	N[6]-3:N[6]-3:C-3:C-3:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:C-3:H-1:	C[6](N[6]C[6a]C[6])2(CCH)2	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6]O)	C(C[6]N[6]2C)(CCH)(H)	C[6](N[6]C[6a]C[6])2(CCH)2{1|C<4>,2|O<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6]O){4|C<3>,4|C<4>}	C(C[6]N[6]2C)(CCH)(H)	109.1425	1.232	4	109.1425	1.518	4	109.1425	1.518	4	109.1425	1.518	4	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:3:3:3:	4:3:1:	4:2:1:	C[6,6a]-3:C[5a]-3:N[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])(N[6]C[6]H)(COO)	N[6](C[6]C[6,6a]C[5a]C)(C[6]O[6]O)(H)	C(C[6]C[6,6a]C[5a]N[6])(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])(N[6]C[6]H)(COO){1|O<1>,1|O<2>,1|S<4>,2|H<1>,4|C<3>}	N[6](C[6]C[6,6a]C[5a]C)(C[6]O[6]O)(H){1|N<3>,3|C<3>}	C(C[6]C[6,6a]C[5a]N[6])(OC)(O)	110.0070	0.000	1	110.0070	0.000	1	110.0070	0.000	1	110.0070	0.000	1	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:3:3:3:	4:3:1:	4:3:1:	C[6]-3:C[6a]-3:N[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]H)(CCH)	N[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]O)(H)	C(C[6]C[6a]C[6]N[6])(CC[6a]H)(H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]H)(CCH){1|O<1>,2|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]O)(H){1|O<1>,4|C<3>}	C(C[6]C[6a]C[6]N[6])(CC[6a]H)(H)	107.8020	0.000	1	107.8020	0.000	1	107.8020	0.000	1	107.8020	0.000	1	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:3:3:3:	4:3:4:	4:2:1:	C[6,6a]-3:C[6a]-3:N[6]-3:C-3:	C[6]-4:C[6]-3:C-4:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(COO)	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]N[6])(CC[6a]HH)	C(C[6]C[6,6a]C[6a]N[6])(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(COO){1|N<2>,3|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]N[6])(CC[6a]HH){6|C<3>}	C(C[6]C[6,6a]C[6a]N[6])(OC)(O)	107.1225	0.151	2	107.1225	0.023	2	107.1225	0.023	2	107.1225	0.023	2	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:3:3:3:	4:4:1:	4:2:1:	C[6,6a]-3:C[6a]-3:N[6]-3:C-3:	C[6]-4:S[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(COO)	N[6](C[6]C[6,6a]C[6a]C)(S[6]O[6]OO)(H)	C(C[6]C[6,6a]C[6a]N[6])(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(COO){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	N[6](C[6]C[6,6a]C[6a]C)(S[6]O[6]OO)(H){4|C<3>}	C(C[6]C[6,6a]C[6a]N[6])(OC)(O)	108.5600	0.000	1	108.5600	0.000	1	108.5600	0.000	1	108.5600	0.000	1	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:3:3:3:	4:4:3:	4:2:1:	C[6,6a]-3:C[6a]-3:N[6]-3:C-3:	C[6]-4:C[6]-4:C-3:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(COO)	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HH)(CC[6a]O)	C(C[6]C[6,6a]C[6a]N[6])(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(COO){1|C<4>,4|C<3>,5|H<1>}	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HH)(CC[6a]O){2|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6a]N[6])(OC)(O)	108.6700	0.000	1	108.6700	0.000	1	108.6700	0.000	1	108.6700	0.000	1	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:3:4:3:	3:4:1:	4:2:1:	C[5a,6]-3:N[6]-3:C-4:C-3:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(CH3)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(H)	C(C[6]C[5a,6]N[6]C)(OC)(O)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(CH3)(COO){5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(H){1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[5a,6]N[6]C)(OC)(O)	110.1430	0.000	1	110.1430	0.000	1	110.1430	0.000	1	110.2700	0.054	5	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:3:4:3:	3:4:1:	4:2:1:	N[6]-3:C[6]-3:C-4:C-3:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C(C[6]C[6]N[6]C)(OC)(O)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)(COO){3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){2|H<1>,3|C<3>}	C(C[6]C[6]N[6]C)(OC)(O)	110.3017	0.255	4	110.3017	0.065	4	110.3017	0.065	4	110.2700	0.054	5	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:3:4:3:	3:4:3:	4:2:1:	N[6]-3:C[6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:O-2:O-1:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(COO)	C(C[6]C[6a]C[6]N[6])(OC)(O)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(COO){4|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(COO){1|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6a]C[6]N[6])(OC)(O)	108.7210	0.000	1	108.7210	0.000	1	108.7210	0.000	1	108.7210	0.000	1	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:3:4:3:	4:3:1:	4:2:1:	N[6]-3:N[6]-3:C-4:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-4:O-2:O-1:	C[6](N[6]C[6a]S[6])(N[6]C[6]H)(CH3)(COO)	N[6](C[6]N[6]CC)(C[6]N[6]N)(H)	C(C[6]N[6]2C)(OC)(O)	C[6](N[6]C[6a]S[6])(N[6]C[6]H)(CH3)(COO){1|N<2>,1|N<3>,2|C<3>,2|O<1>}	N[6](C[6]N[6]CC)(C[6]N[6]N)(H){1|C<3>,1|S<4>}	C(C[6]N[6]2C)(OC)(O)	109.6270	0.000	1	109.6270	0.000	1	109.6270	0.000	1	109.6270	0.000	1	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:3:4:3:	4:3:1:	4:3:1:	C[6,6a]-3:N[6]-3:C-4:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(CCH)	N[6](C[6]C[6,6a]CC)(C[6]N[6]O)(H)	C(C[6]C[6,6a]N[6]C)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(CCH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]CC)(C[6]N[6]O)(H){1|C<4>,2|C<3>}	C(C[6]C[6,6a]N[6]C)(CCH)(H)	111.4340	0.000	1	111.4340	0.000	1	111.4340	0.000	1	111.4340	0.000	1	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:3:4:3:	4:4:3:	4:4:1:	C[5a,6]-3:N[6]-3:C-4:C-3:	C[6]-4:C[6]-4:C-3:	C[6]-4:C-4:O-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CH3)(CCO)	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(COO)	C(C[6]C[5a,6]N[6]C)(CCHI)(O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CH3)(CCO){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(COO){1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[5a,6]N[6]C)(CCHI)(O)	111.0260	0.000	1	111.0260	0.000	1	111.0260	0.000	1	111.0260	0.000	1	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:4:3:1:	3:4:1:	4:2:1:	N[6]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(COO)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C(C[6]C[6]N[6]H)(OC)(O)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(COO)(H){1|H<1>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(OC)(O)	114.7000	0.000	1	114.7000	0.000	1	113.4660	3.046	2	113.4660	3.046	2	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:4:3:1:	3:4:1:	4:2:1:	N[6]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](N[6]C[6,6a]H)(C[6]S[6]HH)(COO)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C(C[6]C[6]N[6]H)(OH)(O)	C[6](N[6]C[6,6a]H)(C[6]S[6]HH)(COO)(H){2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|C<2>,1|S<2>,2|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(OH)(O)	112.2320	0.000	1	112.2320	0.000	1	113.4660	3.046	2	113.4660	3.046	2	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:4:3:1:	3:4:3:	4:2:1:	N[6]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:O-2:O-1:	C[6](N[6]C[6,6a]C)(C[6]C[6]HO)(COO)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]O)	C(C[6]C[6]N[6]H)(OC)(O)	C[6](N[6]C[6,6a]C)(C[6]C[6]HO)(COO)(H){1|H<1>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(OC)(O)	113.6030	0.000	1	113.6030	0.000	1	113.6030	0.000	1	110.5810	4.245	4	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:4:3:1:	3:4:3:	4:2:1:	N[6]-3:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:O-2:O-1:	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(COO)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O)	C(C[6]C[6]N[6]H)(OC)(O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(COO)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	C(C[6]C[6]N[6]H)(OC)(O)	109.3580	0.529	2	109.3580	0.280	2	109.5737	0.279	3	110.5810	4.245	4	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:4:3:1:	3:4:3:	4:2:1:	N[6]-3:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:O-2:O-1:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(COO)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O)	C(C[6]C[6]N[6]H)(OC)(O)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(COO)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6]N[6]H)(OC)(O)	110.0050	0.000	1	110.0050	0.000	1	109.5737	0.279	3	110.5810	4.245	4	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:4:3:1:	3:4:3:	4:3:1:	N[6]-3:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:C-3:H-1:	C[6](N[6]C[6a]C[6])(C[6]C[5,6]CC)(CCH)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)	C(C[6]C[6]N[6]H)(CC[6a]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]CC)(CCH)(H){6|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C){1|C<4>,2|C<2>,2|H<1>,3|C<3>}	C(C[6]C[6]N[6]H)(CC[6a]H)(H)	113.3160	0.000	1	113.3160	0.000	1	113.7405	0.360	2	113.7405	0.360	2	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:4:3:1:	3:4:3:	4:3:1:	N[6]-3:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:C-3:H-1:	C[6](N[6]C[6a]C[6])(C[6]C[5,6]CC)(CCH)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C(C[6]C[6]N[6]H)(CC[6a]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]CC)(CCH)(H){1|H<1>,5|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|C<4>,2|C<2>,2|H<1>,3|C<3>}	C(C[6]C[6]N[6]H)(CC[6a]H)(H)	114.1650	0.000	1	114.1650	0.000	1	113.7405	0.360	2	113.7405	0.360	2	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:4:3:1:	3:4:3:	4:4:3:	N[6]-3:C[6]-4:C-3:H-1:	N[6,6]-3:C[6]-4:C-3:	C[6]-4:C-4:C-3:	C[6](N[6]N[6,6]C)(C[6]N[6]HH)(CCC)(H)	N[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(CC[6a]O)	C(C[6]C[6]N[6]H)(CH3)(CHH)	C[6](N[6]N[6,6]C)(C[6]N[6]HH)(CCC)(H){1|S<4>,2|C<4>}	N[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(CC[6a]O){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C(C[6]C[6]N[6]H)(CH3)(CHH)	115.7270	1.274	2	115.7270	1.624	2	115.7270	1.624	2	115.7270	1.624	2	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:4:3:1:	4:3:4:	4:2:1:	N[6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(COO)(H)	N[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)	C(C[6]C[6]N[6]H)(OC)(O)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(COO)(H){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH){1|C<4>,4|C<3>,6|H<1>}	C(C[6]C[6]N[6]H)(OC)(O)	113.1290	0.000	1	113.1290	0.000	1	113.1290	0.000	1	113.1290	0.000	1	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:4:3:1:	4:4:3:	4:2:1:	N[6]-3:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:O-2:O-1:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(COO)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(COO)	C(C[6]C[6]N[6]H)(OC)(O)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(COO)(H){2|C<4>,3|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(COO){3|C<4>,5|H<1>}	C(C[6]C[6]N[6]H)(OC)(O)	113.5385	1.006	2	113.5385	1.012	2	113.5385	1.012	2	113.5385	1.012	2	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:4:3:2:	3:3:4:	4:2:1:	N[6]-3:C[6]-4:C-3:O-2:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(COO)(OH)	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]CO)	C(C[6]C[6]N[6]O)(OC)(O)	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(COO)(OH){1|O<1>,2|C<3>,3|C<4>}	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]CO){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C(C[6]C[6]N[6]O)(OC)(O)	107.5380	0.000	1	107.5380	0.000	1	107.5380	0.000	1	107.5380	0.000	1	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:4:3:3:	3:4:1:	4:2:1:	N[6]-3:C[6]-4:C-3:C-3:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(COO)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C(C[6]C[6]N[6]C)(OC)(O)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(COO)2{1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]N[6]C)(OC)(O)	107.7935	0.482	2	108.6340	4.441	4	108.6340	4.441	4	108.6340	4.441	4	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:4:3:3:	3:4:1:	4:2:1:	N[6]-3:C[6]-4:C-3:C-3:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(COO)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C(C[6]C[6]N[6]C)(OC)(O)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(COO)2{1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]N[6]C)(OC)(O)	109.4745	3.204	2	108.6340	4.441	4	108.6340	4.441	4	108.6340	4.441	4	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:4:3:3:	4:3:1:	4:2:1:	C[6a]-3:C[6]-4:N[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-4:O-2:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(COO)	N[6](C[6]C[6a]C[6]C)(C[6]O[6]O)(H)	C(C[6]C[6a]C[6]N[6])(OC)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(COO){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6]C)(C[6]O[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6a]C[6]N[6])(OC)(O)	106.7300	0.700	2	106.7300	0.490	2	106.7300	0.490	2	106.7300	0.490	2	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:4:3:3:	4:3:3:	4:1:1:	C[6a]-3:C[6]-4:N[6]-3:C-3:	C[6]-4:N[6]-3:C-3:	C[6]-4:H-1:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(CHO)	N[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(COO)	C(C[6]C[6a]C[6]N[6])(H)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(CHO){1|C<4>,3|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(COO){1|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6a]C[6]N[6])(H)(O)	108.4200	0.000	1	108.4200	0.000	1	108.4200	0.000	1	108.4200	0.000	1	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:4:4:3:	3:4:1:	4:1:1:	N[6]-3:C[6]-4:C-4:C-3:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](N[6]C[6,6]H)(C[6]C[6]HO)(CH3)(COO)	N[6](C[6,6]C[5a,6]N[6,6])(C[6]C[6]CC)(H)	C(C[6]C[6]N[6]C)(O)2	C[6](N[6]C[6,6]H)(C[6]C[6]HO)(CH3)(COO){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	N[6](C[6,6]C[5a,6]N[6,6])(C[6]C[6]CC)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C(C[6]C[6]N[6]C)(O)2	109.8410	0.000	1	109.8410	0.000	1	110.7280	1.574	2	110.7280	1.574	2	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:4:4:3:	3:4:1:	4:1:1:	N[6]-3:C[6]-4:C-4:C-3:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:O-1:O-1:	C[6](N[6]C[6,6]H)(C[6]C[6]HO)(CH3)(COO)	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]CC)(H)	C(C[6]C[6]N[6]C)(O)2	C[6](N[6]C[6,6]H)(C[6]C[6]HO)(CH3)(COO){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6]N[6]C)(O)2	111.6150	0.000	1	111.6150	0.000	1	110.7280	1.574	2	110.7280	1.574	2	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	3:4:4:3:	3:4:1:	4:2:1:	N[6]-3:C[6]-4:C-4:C-3:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C(C[6]C[6]N[6]C)(OC)(O)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)(COO){1|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]N[6]C)(OC)(O)	112.7300	1.929	2	112.7300	3.721	2	112.7300	3.721	2	112.7300	3.721	2	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	3:4:1:	4:2:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[5,6]C[6a]H)(N[6]C[6]H)(COO)(H)	N[6](C[6]C[5,6]H)(C[6]C[6]CH)(H)	C(C[6]C[6]N[6]H)(OC)(O)	C[6](C[6]C[5,6]C[6a]H)(N[6]C[6]H)(COO)(H){1|H<1>,4|C<3>}	N[6](C[6]C[5,6]H)(C[6]C[6]CH)(H){1|H<1>,3|C<3>}	C(C[6]C[6]N[6]H)(OC)(O)	108.1980	0.000	1	108.1980	0.000	1	108.8159	4.733	7	108.3504	5.791	8	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	3:4:1:	4:2:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H)	N[6](C[6]C[5a,6]N)(C[6]C[6]CH)(H)	C(C[6]C[6]N[6]H)(OC)(O)	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H){1|N<3>,2|C<3>}	N[6](C[6]C[5a,6]N)(C[6]C[6]CH)(H){1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[6]N[6]H)(OC)(O)	108.0230	0.000	1	108.0230	0.000	1	108.8159	4.733	7	108.3504	5.791	8	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	3:4:1:	4:2:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H)	N[6](C[6]C[5a,6]O)(C[6]C[6]CH)(H)	C(C[6]C[6]N[6]H)(OC)(O)	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H){1|O<1>,2|C<3>}	N[6](C[6]C[5a,6]O)(C[6]C[6]CH)(H){1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[6]N[6]H)(OC)(O)	108.7475	1.579	2	108.7475	2.493	2	108.8159	4.733	7	108.3504	5.791	8	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	3:4:1:	4:2:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(COO)(H)	N[6](C[6]C[6,6a]N)(C[6]C[6]CH)(H)	C(C[6]C[6]N[6]H)(OC)(O)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(COO)(H){1|N<3>,2|C<3>}	N[6](C[6]C[6,6a]N)(C[6]C[6]CH)(H){2|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(OC)(O)	113.3370	0.000	1	113.3370	0.000	1	108.8159	4.733	7	108.3504	5.791	8	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	3:4:1:	4:2:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(COO)(H)	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)	C(C[6]C[6]N[6]H)(OC)(O)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(COO)(H){1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H){2|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(OC)(O)	107.3290	0.158	2	107.3290	0.025	2	108.8159	4.733	7	108.3504	5.791	8	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	3:4:1:	4:2:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(COO)(H)	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]CH)(O)	C(C[6]C[6]N[6]H)(OC)(O)	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(COO)(H){3|C<3>}	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]CH)(O){2|H<1>,4|C<3>}	C(C[6]C[6]N[6]H)(OC)(O)	105.0920	0.000	1	105.0920	0.000	1	105.0920	0.000	1	108.3504	5.791	8	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	3:4:3:	4:2:1:	C[5,6]-4:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:O-2:O-1:	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6,6a]C)(COO)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(CCO)	C(C[6]C[5,6]N[6]H)(OC)(O)	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6,6a]C)(COO)(H){2|C<3>,2|H<1>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(CCO){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]N[6]H)(OC)(O)	111.4020	0.000	1	111.4020	0.000	1	111.4020	0.000	1	111.4020	0.000	1	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	3:4:4:	4:2:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HN)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CCHH)	C(C[6]C[6]N[6]H)(OH)(O)	C[6](C[6]C[6]HN)(N[6]C[6]C)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CCHH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C(C[6]C[6]N[6]H)(OH)(O)	110.7400	0.000	1	110.7400	0.000	1	110.7400	0.000	1	110.7400	0.000	1	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	3:4:4:	4:3:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-3:C[6]-4:S-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(CCH)(H)	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(SC[6a]OO)	C(C[6]C[6]N[6]H)(CC[6a]H)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(CCH)(H){1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(SC[6a]OO){2|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(CC[6a]H)(H)	111.3730	0.000	1	111.3730	0.000	1	111.3730	0.000	1	111.3730	0.000	1	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	3:4:4:	4:3:3:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-3:C[6]-4:S-4:	C[6]-4:C-3:C-3:	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(CCC)(H)	N[6](C[6]C[6,6]H)(C[6]C[6]CH)(SC[6a]OO)	C(C[6]C[6]N[6]H)(CCO)(CHH)	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(CCC)(H){1|C<3>,1|O<2>,2|H<1>}	N[6](C[6]C[6,6]H)(C[6]C[6]CH)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CCO)(CHH)	111.5310	0.000	1	111.5310	0.000	1	111.5310	0.000	1	111.5310	0.000	1	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	4:2:1:	4:2:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:N[6]-2:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6a]O[6]H)(N[6]N[6]H)(COO)(H)	N[6](C[6]C[6]CH)(N[6]C[6])(H)	C(C[6]C[6]N[6]H)(OC)(O)	C[6](C[6]C[6a]O[6]H)(N[6]N[6]H)(COO)(H){3|C<3>}	N[6](C[6]C[6]CH)(N[6]C[6])(H){1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]N[6]H)(OC)(O)	116.3980	0.000	1	116.3980	0.000	1	116.3980	0.000	1	116.3980	0.000	1	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	4:3:1:	4:1:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(COO)(H)	N[6](C[6]C[6]CH)(C[6]N[6]C)(H)	C(C[6]C[6]N[6]H)(O)2	C[6](C[6]C[6]HH)(N[6]C[6]H)(COO)(H){1|C<4>,1|N<3>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]N[6]C)(H){1|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(O)2	111.2330	0.705	3	111.2330	0.496	3	111.2330	0.496	3	111.2330	0.496	3	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	4:3:1:	4:2:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(COO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	C(C[6]C[6]N[6]H)(OC)(O)	C[6](C[6]C[6]HH)(N[6]C[6]H)(COO)(H){1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,3|H<1>}	C(C[6]C[6]N[6]H)(OC)(O)	109.6950	0.000	1	109.6950	0.000	1	109.7857	1.432	3	109.7857	1.432	3	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	4:3:1:	4:2:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(COO)(H)	N[6](C[6]C[6]CH)(C[6]N[6]O)(H)	C(C[6]C[6]N[6]H)(OC)(O)	C[6](C[6]C[6]HH)(N[6]C[6]H)(COO)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]N[6]O)(H){1|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(OC)(O)	109.8310	1.689	2	109.8310	2.851	2	109.7857	1.432	3	109.7857	1.432	3	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	4:3:3:	4:2:1:	C[5,6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:O-2:O-1:	C[6](C[5,6]C[5]2C[6])(N[6]C[6a]C[6])(COO)(H)	N[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]O)	C(C[6]C[5,6]N[6]H)(OC)(O)	C[6](C[5,6]C[5]2C[6])(N[6]C[6a]C[6])(COO)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|O<1>,4|C<3>}	N[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C(C[6]C[5,6]N[6]H)(OC)(O)	109.7930	0.000	1	109.7930	0.000	1	109.7930	0.000	1	110.5334	1.040	5	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	4:3:3:	4:2:1:	C[6,6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:O-2:O-1:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])(COO)(H)	N[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]O)	C(C[6]C[6,6]N[6]H)(OC)(O)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])(COO)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	N[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]O){2|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]N[6]H)(OC)(O)	111.9530	0.000	1	111.9530	0.000	1	111.9530	0.000	1	110.5334	1.040	5	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	4:3:3:	4:2:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:N-2:O-1:	C[6](C[6]C[6]HW)(N[6]C[6]C)(CNO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCO)	C(C[6]C[6]N[6]H)(NS)(O)	C[6](C[6]C[6]HW)(N[6]C[6]C)(CNO)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCO){1|C<4>,1|W<7>,2|H<1>}	C(C[6]C[6]N[6]H)(NS)(O)	110.4580	0.000	1	110.4580	0.000	1	110.4580	0.000	1	110.5334	1.040	5	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	4:3:3:	4:2:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO)	C(C[6]C[6]N[6]H)(OC)(O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H){1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]N[6]H)(OC)(O)	109.3920	0.000	1	110.2315	1.410	2	110.2315	1.410	2	110.5334	1.040	5	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	4:3:3:	4:2:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO)	C(C[6]C[6]N[6]H)(OC)(O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H){1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(OC)(O)	111.0710	0.000	1	110.2315	1.410	2	110.2315	1.410	2	110.5334	1.040	5	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	4:3:3:	4:3:3:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C-3:C-3:	C[6](C[6]C[6]HW)(N[6]C[6]C)(CCC)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCO)	C(C[6]C[6]N[6]H)(CHH)(CHO)	C[6](C[6]C[6]HW)(N[6]C[6]C)(CCC)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCO){1|C<4>,1|W<7>,2|H<1>}	C(C[6]C[6]N[6]H)(CHH)(CHO)	111.4280	0.000	1	111.4280	0.000	1	111.4280	0.000	1	112.8815	4.225	2	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	4:3:3:	4:3:3:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:N[6]-3:C-3:	C[6]-4:C[6a]-3:C-3:	C[6](C[6]C[6]HH)(N[6]N[6]C)(CC[6a]C)(H)	N[6](C[6]C[6]CH)(N[6]C[6]C)(COO)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CHH)	C[6](C[6]C[6]HH)(N[6]N[6]C)(CC[6a]C)(H){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(N[6]C[6]C)(COO){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CHH)	114.3350	0.000	1	114.3350	0.000	1	114.3350	0.000	1	112.8815	4.225	2	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	4:3:4:	4:2:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	C(C[6]C[6]N[6]H)(OC)(O)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(COO)(H){1|C<4>,1|O<1>,2|C<3>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){2|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(OC)(O)	111.8230	0.000	1	111.8230	0.000	1	111.2240	0.720	3	110.9865	0.706	4	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	4:3:4:	4:2:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HH)	C(C[6]C[6]N[6]H)(OH)(O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H){1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HH){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(OH)(O)	110.2530	0.000	1	110.2530	0.000	1	111.2240	0.720	3	110.9865	0.706	4	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	4:3:4:	4:2:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]S)(CC[6a]CH)	C(C[6]C[6]N[6]H)(OC)(O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H){1|H<1>,1|S<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]S)(CC[6a]CH){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(OC)(O)	111.5960	0.000	1	111.5960	0.000	1	111.2240	0.720	3	110.9865	0.706	4	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	4:3:4:	4:2:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(N[6]C[6]S)(COO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)	C(C[6]C[6]N[6]H)(OC)(O)	C[6](C[6]C[6]HH)(N[6]C[6]S)(COO)(H){1|O<1>,2|C<3>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO){1|C<3>,3|H<1>}	C(C[6]C[6]N[6]H)(OC)(O)	110.2740	0.000	1	110.2740	0.000	1	110.2740	0.000	1	110.9865	0.706	4	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	4:3:4:	4:2:3:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:S-2:C-3:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCS)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(SC[6a]OO)	C(C[6]C[6]N[6]H)(SC[6a])(CHN)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCS)(H){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(SC[6a]OO){1|C<4>,1|S<2>,2|H<1>}	C(C[6]C[6]N[6]H)(SC[6a])(CHN)	111.1020	0.000	1	111.1020	0.000	1	111.1020	0.000	1	111.1020	0.000	1	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	4:3:4:	4:3:1:	C[3,6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:N-3:O-1:	C[6](C[3,6]N[3,6]C[3]H)(N[6]C[6a]C[6])(CNO)(H)	N[6](C[6]C[3,6]CH)(C[6a]C[6a]2)(C[6]C[6]CH)	C(C[6]C[3,6]N[6]H)(NCH)(O)	C[6](C[3,6]N[3,6]C[3]H)(N[6]C[6a]C[6])(CNO)(H){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[3,6]CH)(C[6a]C[6a]2)(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C(C[6]C[3,6]N[6]H)(NCH)(O)	111.9440	0.000	1	111.9440	0.000	1	111.9440	0.000	1	112.3378	1.063	13	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	4:3:4:	4:3:1:	C[6,6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:C-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(CCH)(H)	N[6](C[6]C[6,6]CH)(C[6]O[6]O)(SC[6a]OO)	C(C[6]C[6,6]N[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(CCH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	N[6](C[6]C[6,6]CH)(C[6]O[6]O)(SC[6a]OO){1|H<1>,2|C<4>}	C(C[6]C[6,6]N[6]H)(CHH)(H)	111.3120	0.000	1	111.3120	0.000	1	111.3120	0.000	1	112.3378	1.063	13	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	4:3:4:	4:3:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N-3:O-1:	C[6](C[6]C[6a]C[6]O)(N[6]C[6]C)(CNO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)	C(C[6]C[6]N[6]H)(NCH)(O)	C[6](C[6]C[6a]C[6]O)(N[6]C[6]C)(CNO)(H){1|O<1>,4|C<3>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH){1|C<4>,1|O<2>,2|C<3>}	C(C[6]C[6]N[6]H)(NCH)(O)	113.6340	0.000	1	113.6340	0.000	1	113.6340	0.000	1	112.3378	1.063	13	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	4:3:4:	4:3:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCH)(H)	N[6](C[6]C[6]CH)(C[6]O[6]O)(SC[6a]OO)	C(C[6]C[6]N[6]H)(CCC)(H)	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCH)(H){1|O<1>,1|O<2>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]O[6]O)(SC[6a]OO){1|Br<1>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6]H)(CCC)(H)	111.4755	0.121	2	111.4755	0.015	2	112.3502	1.097	10	112.3378	1.063	13	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	4:3:4:	4:3:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCH)(H)	N[6](C[6]C[6]CH)(C[6]O[6]O)(SC[6a]OO)	C(C[6]C[6]N[6]H)(CCH)(H)	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCH)(H){1|O<1>,1|O<2>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]O[6]O)(SC[6a]OO){1|Br<1>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6]H)(CCH)(H)	112.5270	0.112	2	112.5270	0.012	2	112.3502	1.097	10	112.3378	1.063	13	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	4:3:4:	4:3:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCH)(H)	N[6](C[6]C[6]CH)(C[6]O[6]O)(SC[6a]OO)	C(C[6]C[6]N[6]H)(CC[6a]H)(H)	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCH)(H){1|O<1>,1|O<2>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]O[6]O)(SC[6a]OO){1|Br<1>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6]H)(CC[6a]H)(H)	112.8450	0.000	1	112.8450	0.000	1	112.3502	1.097	10	112.3378	1.063	13	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	4:3:4:	4:3:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)	C(C[6]C[6]N[6]H)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCH)(H){1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO){2|H<1>,3|C<4>}	C(C[6]C[6]N[6]H)(CC[6a]H)(H)	112.5910	0.000	1	112.5910	0.000	1	112.3502	1.097	10	112.3378	1.063	13	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	4:3:4:	4:3:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)	C(C[6]C[6]N[6]H)(CHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCH)(H){1|H<1>,1|O<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(CHH)(H)	112.3640	0.000	1	112.3640	0.000	1	112.3502	1.097	10	112.3378	1.063	13	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	4:3:4:	4:3:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCH)(H)	N[6](C[6]C[6]CH)(C[6]O[6]O)(SC[6a]OO)	C(C[6]C[6]N[6]H)(CHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[6](C[6]C[6]CH)(C[6]O[6]O)(SC[6a]OO){1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CHH)(H)	111.4955	0.968	2	111.4955	0.937	2	112.3502	1.097	10	112.3378	1.063	13	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	4:3:4:	4:3:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HI)(N[6]C[6]S)(CCH)(H)	N[6](C[6]C[6]CH)(C[6]N[6]O)(SC[6a]OO)	C(C[6]C[6]N[6]H)(CC[6a]H)(H)	C[6](C[6]C[6]HI)(N[6]C[6]S)(CCH)(H){1|N<3>,1|O<1>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]N[6]O)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>,1|I<1>}	C(C[6]C[6]N[6]H)(CC[6a]H)(H)	114.7060	0.000	1	114.7060	0.000	1	112.3502	1.097	10	112.3378	1.063	13	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	4:3:4:	4:4:3:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:C-4:C-3:	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCC)(H)	N[6](C[6]C[6]CH)(C[6]O[6]O)(SC[6a]OO)	C(C[6]C[6]N[6]H)(CH3)(CCH)	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCC)(H){1|O<1>,1|O<2>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]O[6]O)(SC[6a]OO){1|Br<1>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6]H)(CH3)(CCH)	113.8890	0.000	1	113.8890	0.000	1	113.8890	0.000	1	113.8890	0.000	1	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	4:4:1:	4:2:1:	C[6,6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6,6]C[5,6]C[6]2)(N[6]C[6]H)(COO)(H)	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6,6]CH)(H)	C(C[6]C[6,6]N[6]H)(OC)(O)	C[6](C[6,6]C[5,6]C[6]2)(N[6]C[6]H)(COO)(H){2|C<3>,3|C<4>,5|H<1>}	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6,6]CH)(H){1|H<1>,2|C<4>,4|C<3>}	C(C[6]C[6,6]N[6]H)(OC)(O)	106.0500	0.000	1	106.0500	0.000	1	106.0500	0.000	1	108.3175	10.283	2	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	4:4:1:	4:2:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]CH)(N[6]C[6]H)(COO)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)	C(C[6]C[6]N[6]H)(OC)(O)	C[6](C[6]C[6]CH)(N[6]C[6]H)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H){2|H<1>,5|C<3>}	C(C[6]C[6]N[6]H)(OC)(O)	110.5850	0.000	1	110.5850	0.000	1	110.5850	0.000	1	108.3175	10.283	2	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	4:4:3:	4:1:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CHH)(H)	N[6](C[6]C[6]CH)2(CC[6]O)	C(C[6]C[6]N[6]H)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CHH)(H){2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)2(CC[6]O){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(H)2	112.2280	0.000	1	112.2280	0.000	1	112.2280	0.000	1	112.2280	0.000	1	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	4:4:3:	4:2:1:	C[6,6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:O-2:O-1:	C[6](C[6,6]C[5,6,6]C[6,6a]H)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(COO)	C(C[6]C[6,6]N[6]H)(OC)(O)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(N[6]C[6]C)(COO)(H){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6,6]N[6]H)(OC)(O)	107.5880	0.000	1	107.5880	0.000	1	107.5880	0.000	1	110.7653	4.191	9	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	4:4:3:	4:2:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:O-2:O-1:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[5a,6]C[5a]H)(C[6]C[6]CH)(CCO)	C(C[6]C[6]N[6]H)(OC)(O)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(COO)(H){1|H<1>,3|C<3>}	N[6](C[6]C[5a,6]C[5a]H)(C[6]C[6]CH)(CCO){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(OC)(O)	112.1530	0.000	1	112.1530	0.000	1	111.1625	3.167	8	110.7653	4.191	9	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	4:4:3:	4:2:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CCO)	C(C[6]C[6]N[6]H)(OH)(O)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(COO)(H){2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CCO){2|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(OH)(O)	109.5680	0.000	1	109.5680	0.000	1	111.1625	3.167	8	110.7653	4.191	9	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	4:4:3:	4:2:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]CC)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]O)	C(C[6]C[6]N[6]H)(OH)(O)	C[6](C[6]C[6]CC)(N[6]C[6]C)(COO)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]O){2|H<1>,3|C<4>}	C(C[6]C[6]N[6]H)(OH)(O)	108.2430	0.000	1	108.2430	0.000	1	111.1625	3.167	8	110.7653	4.191	9	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	4:4:3:	4:2:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]CH)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[6a]O)	C(C[6]C[6]N[6]H)(OC)(O)	C[6](C[6]C[6]CH)(N[6]C[6]C)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[6a]O){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6]N[6]H)(OC)(O)	114.0400	0.000	1	114.0400	0.000	1	111.1625	3.167	8	110.7653	4.191	9	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	4:4:3:	4:2:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HP)(COO)	C(C[6]C[6]N[6]H)(OC)(O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H){1|P<4>,2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HP)(COO){2|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(OC)(O)	111.6740	0.000	1	111.6740	0.000	1	111.1625	3.167	8	110.7653	4.191	9	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	4:4:3:	4:2:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(CCO)	C(C[6]C[6]N[6]H)(OH)(O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(CCO){3|C<3>,3|H<1>}	C(C[6]C[6]N[6]H)(OH)(O)	110.3170	0.000	1	110.3170	0.000	1	111.1625	3.167	8	110.7653	4.191	9	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	4:4:3:	4:2:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:O-2:O-1:	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CCO)	C(C[6]C[6]N[6]H)(OH)(O)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(COO)(H){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CCO){2|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]N[6]H)(OH)(O)	111.2140	0.000	1	111.2140	0.000	1	111.1625	3.167	8	110.7653	4.191	9	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	4:4:3:	4:2:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:O-2:O-1:	C[6](C[6]N[6]HH)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	C(C[6]C[6]N[6]H)(OC)(O)	C[6](C[6]N[6]HH)(N[6]C[6]C)(COO)(H){1|C<3>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|N<3>,1|O<1>,2|H<1>}	C(C[6]C[6]N[6]H)(OC)(O)	112.0910	0.000	1	112.0910	0.000	1	111.1625	3.167	8	110.7653	4.191	9	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	4:4:3:	4:3:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N-3:O-1:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CNO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	C(C[6]C[6]N[6]H)(NCH)(O)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CNO)(H){1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(NCH)(O)	113.3270	0.000	1	113.3270	0.000	1	111.7375	2.414	13	111.7375	2.414	13	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	4:4:3:	4:3:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N-3:O-1:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CNO)(H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CNO)	C(C[6]C[6]N[6]H)(NCC)(O)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CNO)(H){2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CNO){2|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(NCC)(O)	110.2580	0.768	2	110.2580	0.590	2	111.7375	2.414	13	111.7375	2.414	13	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	4:4:3:	4:3:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N-3:O-1:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CNO)(H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(COO)	C(C[6]C[6]N[6]H)(NC[6a]H)(O)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CNO)(H){2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(COO){2|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(NC[6a]H)(O)	110.7440	0.884	2	110.7440	0.781	2	111.7375	2.414	13	111.7375	2.414	13	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	4:4:3:	4:3:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N-3:O-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	C(C[6]C[6]N[6]H)(NCH)(O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(NCH)(O)	110.8540	0.383	2	110.8540	0.147	2	111.7375	2.414	13	111.7375	2.414	13	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	4:4:3:	4:3:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N-3:O-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	C(C[6]C[6]N[6]H)(NC[5a]H)(O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(NC[5a]H)(O)	110.2680	0.000	1	110.2680	0.000	1	111.7375	2.414	13	111.7375	2.414	13	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	4:4:3:	4:3:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N-3:O-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[5]O)	C(C[6]C[6]N[6]H)(NCH)(O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[5]O){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(NCH)(O)	113.9110	0.000	1	113.9110	0.000	1	111.7375	2.414	13	111.7375	2.414	13	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	4:4:3:	4:3:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N-3:O-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CNN)	C(C[6]C[6]N[6]H)(NCH)(O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CNN){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(NCH)(O)	112.8425	1.322	4	112.8425	1.747	4	111.7375	2.414	13	111.7375	2.414	13	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	4:4:4:	4:2:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[6a]N[6]H)(N[6]C[6]S)(COO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C(C[6]C[6]N[6]H)(OH)(O)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]S)(COO)(H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6]H)(OH)(O)	115.1210	0.000	1	115.1210	0.000	1	115.1210	0.000	1	115.1210	0.000	1	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	4:4:4:	4:3:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCH)(H)	N[6](C[6]C[6]CH)2(SC[6a]OO)	C(C[6]C[6]N[6]H)(CHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCH)(H){1|H<1>,1|O<1>,2|C<4>}	N[6](C[6]C[6]CH)2(SC[6a]OO){1|C<3>,4|H<1>}	C(C[6]C[6]N[6]H)(CHH)(H)	112.2630	0.000	1	112.2630	0.000	1	112.2630	0.000	1	112.2630	0.000	1	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:1:	4:4:4:	4:4:3:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:C-4:C-3:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCC)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO)	C(C[6]C[6]N[6]H)(CH3)(CCH)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCC)(H){1|H<1>,1|O<2>,2|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO){2|H<1>,4|C<3>}	C(C[6]C[6]N[6]H)(CH3)(CCH)	109.8650	0.000	1	109.8650	0.000	1	109.8650	0.000	1	109.8650	0.000	1	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:2:	3:4:3:	4:2:1:	C[6,6]-4:N[6]-3:C-3:O-2:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:O-2:O-1:	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6,6a]C)(COO)(OH)	N[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6,6]CO)(COO)	C(C[6]C[6,6]N[6]O)(OC)(O)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6,6a]C)(COO)(OH){2|C<3>,2|H<1>,3|C<4>}	N[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6,6]CO)(COO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[6,6]N[6]O)(OC)(O)	110.0130	0.000	1	110.0130	0.000	1	110.0130	0.000	1	110.0130	0.000	1	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:2:	4:2:3:	4:3:2:	C[6]-4:N[6]-3:C-3:O-2:	C[6]-4:N[6]-2:C-3:	C[6]-4:C-3:N-2:	C[6](C[6]C[6]HH)(N[6]N[6]C)(CCN)(OSi)	N[6](C[6]C[6]CO)(N[6]C[6])(CC[6a]O)	C(C[6]C[6]N[6]O)(COO)(NN)	C[6](C[6]C[6]HH)(N[6]N[6]C)(CCN)(OSi){1|C<3>,2|H<1>}	N[6](C[6]C[6]CO)(N[6]C[6])(CC[6a]O){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]O)(COO)(NN)	110.2020	0.597	2	110.2020	0.356	2	110.2020	0.356	2	110.2020	0.356	2	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:2:	4:4:3:	4:3:1:	C[6]-4:N[6]-3:C-3:C-2:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6a]-3:O-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]O)(CN)	N[6](C[6]C[6]CC)(C[6]C[6]CH)(CNO)	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]O)(CN){2|C<4>,3|H<1>}	N[6](C[6]C[6]CC)(C[6]C[6]CH)(CNO){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(O)	112.2990	0.000	1	112.2990	0.000	1	113.4325	2.570	2	113.4325	2.570	2	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:2:	4:4:3:	4:3:1:	C[6]-4:N[6]-3:C-3:C-2:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6a]-3:O-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]O)(CN)	N[6](C[6]C[6]CC)(C[6]C[6]CH)(COO)	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]O)(CN){2|C<4>,3|H<1>}	N[6](C[6]C[6]CC)(C[6]C[6]CH)(COO){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(O)	114.5660	0.000	1	114.5660	0.000	1	113.4325	2.570	2	113.4325	2.570	2	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:3:	3:4:1:	4:2:1:	C[6]-4:N[6]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)	C(C[6]C[6a]C[6]N[6])(OC)(O)	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(COO){3|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H){1|N<3>,2|H<1>,5|C<3>}	C(C[6]C[6a]C[6]N[6])(OC)(O)	107.3840	0.000	1	107.3840	0.000	1	107.3840	0.000	1	107.3840	0.000	1	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:3:	4:2:3:	4:2:1:	C[6]-4:N[6]-3:C-3:N-3:	C[6]-4:N[6]-2:C-3:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(N[6]N[6]C)(COO)(NCH)	N[6](C[6]C[6]CN)(N[6]C[6])(CNO)	C(C[6]C[6]N[6]N)(OC)(O)	C[6](C[6]C[6]HH)(N[6]N[6]C)(COO)(NCH){1|H<1>,2|C<3>}	N[6](C[6]C[6]CN)(N[6]C[6])(CNO){2|C<4>,2|H<1>}	C(C[6]C[6]N[6]N)(OC)(O)	110.6760	0.000	1	110.6760	0.000	1	110.6760	0.000	1	110.6760	0.000	1	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:3:3:	4:4:1:	4:1:1:	C[6]-4:N[6]-3:C-3:C-3:	C[6]-4:C[6]-4:O-1:	C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CHH)2	N[6](C[6]C[6]CC)2(O)	C(C[6]C[6]N[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(CHH)2{1|H<1>,1|N<2>,3|C<4>}	N[6](C[6]C[6]CC)2(O){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]C)(H)2	108.4820	0.684	2	108.4820	0.469	2	108.4820	0.469	2	108.4820	0.469	2	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:4:3:	4:3:1:	4:2:1:	C[6]-4:N[6]-3:C-4:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(COO)	N[6](C[6]C[6]CC)(C[6]O[6]O)(H)	C(C[6]C[6]N[6]C)(OC)(O)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(COO){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[6](C[6]C[6]CC)(C[6]O[6]O)(H){1|C<4>,2|H<1>}	C(C[6]C[6]N[6]C)(OC)(O)	108.5620	0.000	1	108.5620	0.000	1	108.5620	0.000	1	108.5620	0.000	1	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:4:3:	4:3:4:	4:2:1:	C[6]-4:N[6]-3:C-4:C-3:	C[6]-4:C[6]-3:C-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(COO)	N[6](C[6]C[6]CC)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6]C)(OC)(O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(COO){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CC)(C[6]C[6]H)(CH3){1|C<3>,3|H<1>}	C(C[6]C[6]N[6]C)(OC)(O)	110.8190	0.000	1	110.8190	0.000	1	110.8190	0.000	1	110.8190	0.000	1	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:4:3:	4:3:4:	4:3:1:	C[6]-4:N[6]-3:C-4:C-3:	C[6]-4:C[6]-3:C-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(CCH)	N[6](C[6]C[6]CC)(C[6]C[6]O)(CC[6a]HH)	C(C[6]C[6]N[6]C)(CHS)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(CCH){1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]CC)(C[6]C[6]O)(CC[6a]HH){2|C<4>,3|H<1>}	C(C[6]C[6]N[6]C)(CHS)(H)	106.7680	0.000	1	106.7680	0.000	1	106.7680	0.000	1	105.0330	6.020	2	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP2	C[6]	N[6]	C	4:3:4:3:	4:3:4:	4:3:1:	C[6]-4:N[6]-3:C-4:C-3:	C[6]-4:C[6]-3:C-4:	C[6]-4:N-3:O-1:	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(CNO)	N[6](C[6]C[6]CC)(C[6]C[6]O)(CCHH)	C(C[6]C[6]N[6]C)(NC[6a]H)(O)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(CNO){1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]CC)(C[6]C[6]O)(CCHH){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]N[6]C)(NC[6a]H)(O)	103.2980	0.000	1	103.2980	0.000	1	103.2980	0.000	1	105.0330	6.020	2	110.9302	5.059	165	110.9330	4.972	171
466	856	930	0:SP3_SP2_SP3	C[6,6]	N[3x6]	C	4:3:3:1:	4:4:4:	4:2:1:	P[3x6]-4:N[3x6]-3:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:O-2:O-1:	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(COO)(H)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH)	C(C[6,6]N[3x6]P[3x6]H)(OC)(O)	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(COO)(H){2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH){1|O<1>,3|C<4>}	C(C[6,6]N[3x6]P[3x6]H)(OC)(O)	116.5730	0.000	1	116.5730	0.000	1	116.5730	0.000	1	116.5730	0.000	1	113.3665	20.563	2	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6,6]	N[3x6]	C	4:3:3:1:	4:4:4:	4:3:1:	C[6,6]-4:N[3x6]-3:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6a]-3:O-1:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]O)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(O)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]O)(H){2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2{1|C<3>,1|C<4>,5|H<1>}	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(O)	110.1600	0.000	1	110.1600	0.000	1	110.1600	0.000	1	110.1600	0.000	1	113.3665	20.563	2	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6,6]	N[6]	C	4:3:2:3:	3:4:1:	4:2:1:	C[6,6]-4:N[6]-3:O[6]-2:C-3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:O-2:O-1:	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]H)(O[6]C[6,6a])(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H)	C(C[6,6]C[6,6]N[6]O[6])(OC)(O)	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]H)(O[6]C[6,6a])(COO){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C(C[6,6]C[6,6]N[6]O[6])(OC)(O)	110.0900	0.000	1	110.0900	0.000	1	110.0900	0.000	1	110.0900	0.000	1	110.0900	0.000	1	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6,6]	C	3:3:3:1:	4:4:3:	4:3:1:	C[6,6a]-3:N[6,6]-3:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:N-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(CNO)(H)	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(C[6]C[6]O)	C(C[6]C[6,6a]N[6,6]H)(NCH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(CNO)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(C[6]C[6]O){2|H<1>,3|C<3>}	C(C[6]C[6,6a]N[6,6]H)(NCH)(O)	110.5540	0.000	1	110.5540	0.000	1	110.5540	0.000	1	110.5540	0.000	1	111.9575	3.940	2	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6,6]	C	3:4:3:1:	4:4:3:	4:2:1:	N[6,6]-3:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:O-2:O-1:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(COO)(H)	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O)	C(C[6]N[6,6]C[6]H)(OC)(O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(COO)(H){1|O<1>,2|C<3>,3|C<4>}	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C(C[6]N[6,6]C[6]H)(OC)(O)	113.3610	0.000	1	113.3610	0.000	1	113.3610	0.000	1	113.3610	0.000	1	111.9575	3.940	2	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	2:3:3:1:	4:4:4:	4:3:1:	O[6]-2:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:C-3:H-1:	C[6](O[6]C[6,6])(N[6]C[6]S)(CCH)(H)	N[6](C[6]C[6,6]CC)(C[6]O[6]CH)(SC[6a]OO)	C(C[6]N[6]O[6]H)(CHH)(H)	C[6](O[6]C[6,6])(N[6]C[6]S)(CCH)(H){1|H<1>,4|C<4>}	N[6](C[6]C[6,6]CC)(C[6]O[6]CH)(SC[6a]OO){1|H<1>,2|C<4>}	C(C[6]N[6]O[6]H)(CHH)(H)	111.0420	0.000	1	111.0420	0.000	1	111.0420	0.000	1	111.0420	0.000	1	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	2:3:3:1:	4:4:4:	4:4:1:	O[6]-2:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:C-4:O-1:	C[6](O[6]C[6,6a])(N[6]C[6]S)(CCO)(H)	N[6](C[6]C[6,6a]HN)(C[6]O[6]CH)(SC[6a]OO)	C(C[6]N[6]O[6]H)(CCHH)(O)	C[6](O[6]C[6,6a])(N[6]C[6]S)(CCO)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]C[6,6a]HN)(C[6]O[6]CH)(SC[6a]OO){2|C<3>}	C(C[6]N[6]O[6]H)(CCHH)(O)	112.2720	0.000	1	112.2720	0.000	1	112.2720	0.000	1	112.2720	0.000	1	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	3:2:3:1:	4:4:4:	4:3:1:	N[6]-3:O[6]-2:C-3:H-1:	C[5,6,6]-4:C[6]-4:S-4:	C[6]-4:C[6a]-3:O-1:	C[6](N[6]C[5,6,6]S)(O[6]C[6])(CC[6a]O)(H)	N[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]O[6]CH)(SC[6a]OO)	C(C[6]N[6]O[6]H)(C[6a]C[6a]2)(O)	C[6](N[6]C[5,6,6]S)(O[6]C[6])(CC[6a]O)(H){2|C<4>,3|H<1>}	N[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]O[6]CH)(SC[6a]OO){2|H<1>,4|C<4>}	C(C[6]N[6]O[6]H)(C[6a]C[6a]2)(O)	112.3790	0.000	1	112.3790	0.000	1	112.3790	0.000	1	112.3790	0.000	1	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	3:2:4:3:	4:3:4:	4:2:1:	N[6]-3:N[6]-2:C-4:C-3:	C[3,6]-4:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](N[6]C[3,6]C[6a])(N[6]C[6])(CF3)(COO)	N[6](C[3,6]C[3,6]C[3]H)(C[6a]C[6a]2)(C[6]N[6]CC)	C(C[6]N[6]2C)(OC)(O)	C[6](N[6]C[3,6]C[6a])(N[6]C[6])(CF3)(COO){1|H<1>,2|C<4>,3|C<3>}	N[6](C[3,6]C[3,6]C[3]H)(C[6a]C[6a]2)(C[6]N[6]CC){1|C<4>,3|H<1>,4|C<3>}	C(C[6]N[6]2C)(OC)(O)	112.1920	0.000	1	112.1920	0.000	1	112.1920	0.000	1	112.1920	0.000	1	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	3:3:2:3:	4:4:1:	4:3:1:	C[6a]-3:N[6]-3:N[6]-2:C-3:	C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(CCH)	N[6](C[6]C[6a]N[6]C)(C[6]C[6]CC)(H)	C(C[6]C[6a]N[6]2)(CCC)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(CCH){2|H<1>,3|C<3>,3|C<4>}	N[6](C[6]C[6a]N[6]C)(C[6]C[6]CC)(H){2|H<1>,3|C<3>}	C(C[6]C[6a]N[6]2)(CCC)(H)	108.3180	0.000	1	108.3180	0.000	1	108.3180	0.000	1	108.3180	0.000	1	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	3:3:3:1:	3:4:1:	3:4:3:	N[6]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6a]-3:C[6]-4:C-3:	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CC[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)	C(C[6a]C[6a]2)(C[6]N[6]2H)(CHH)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CC[6a]C)(H){1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(C[6]N[6]2H)(CHH)	109.8130	0.000	1	109.8130	0.000	1	109.8130	0.000	1	109.8130	0.000	1	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	3:3:3:1:	3:4:1:	4:2:1:	C[6]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[3]C[6])(N[6]C[6,6a]H)(COO)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C(C[6]C[6]N[6]H)(OC)(O)	C[6](C[6]C[3]C[6])(N[6]C[6,6a]H)(COO)(H){2|C<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6]N[6]H)(OC)(O)	110.5120	0.000	1	110.5120	0.000	1	110.5120	0.000	1	110.5120	0.000	1	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	3:3:3:1:	3:4:1:	4:3:1:	N[6]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CCH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)	C(C[6]N[6]2H)(CC[5a]H)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CCH)(H){1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]N[6]2H)(CC[5a]H)(H)	113.8100	0.359	3	113.8100	0.129	3	112.4426	3.583	5	112.4426	3.583	5	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	3:3:3:1:	3:4:1:	4:3:1:	N[6]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](N[6]C[6,6a]H)2(CCH)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CH)(H)	C(C[6]N[6]2H)(CC[6a]H)(H)	C[6](N[6]C[6,6a]H)2(CCH)(H){3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CH)(H){2|H<1>,3|C<3>}	C(C[6]N[6]2H)(CC[6a]H)(H)	110.3915	0.224	2	110.3915	0.050	2	112.4426	3.583	5	112.4426	3.583	5	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	3:3:3:1:	3:4:1:	4:3:2:	N[6]-3:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C-3:S-2:	C[6](N[6]C[6,6a]H)(C[6]N[6]O)(CCS)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C(C[6]C[6]N[6]H)(CCS)(SCo)	C[6](N[6]C[6,6a]H)(C[6]N[6]O)(CCS)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6]N[6]H)(CCS)(SCo)	110.6340	0.000	1	110.6340	0.000	1	110.6340	0.000	1	110.6340	0.000	1	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	3:3:3:1:	3:4:1:	4:3:4:	N[6]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C-3:C-4:	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CCC)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)	C(C[6]N[6]2H)(CC[5a]H)(CH3)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CCC)(H){1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]N[6]2H)(CC[5a]H)(CH3)	108.9930	0.078	2	108.9930	0.006	2	108.9930	0.006	2	108.9930	0.006	2	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	3:3:3:1:	3:4:4:	3:4:3:	N[6]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6a]-3:C[6]-4:C-3:	C[6](N[6]C[6,6a]S)(N[6]C[6]C)(CC[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(SC[6a]OO)	C(C[6a]C[6a]2)(C[6]N[6]2H)(CHH)	C[6](N[6]C[6,6a]S)(N[6]C[6]C)(CC[6a]C)(H){1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(C[6]N[6]2H)(CHH)	109.5560	0.000	1	109.5560	0.000	1	109.5560	0.000	1	111.2950	6.048	2	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	3:3:3:1:	3:4:4:	3:4:3:	N[6]-3:N[6]-3:C-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6a]-3:C[6]-4:C-3:	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CC[6a]C)(H)	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CH3)	C(C[6a]C[6a]2)(C[6]N[6]2H)(CHH)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CC[6a]C)(H){1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CH3){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(C[6]N[6]2H)(CHH)	113.0340	0.000	1	113.0340	0.000	1	113.0340	0.000	1	111.2950	6.048	2	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	3:3:3:1:	4:3:4:	4:3:1:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:N-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CNO)(H)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	C(C[6]C[6,6a]N[6]H)(NC[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CNO)(H){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	C(C[6]C[6,6a]N[6]H)(NC[6]C)(O)	109.5140	0.000	1	109.5140	0.000	1	109.5140	0.000	1	109.5140	0.000	1	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	3:3:3:1:	4:3:4:	4:3:3:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:C-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCC)(H)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	C(C[6]C[6,6a]N[6]H)(CHH)(CHO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCC)(H){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	C(C[6]C[6,6a]N[6]H)(CHH)(CHO)	113.3100	0.000	1	113.3100	0.000	1	113.3100	0.000	1	113.3100	0.000	1	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	3:3:3:1:	4:4:1:	4:2:1:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]H)(COO)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(H)	C(C[6]C[6,6a]N[6]H)(OC)(O)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]H)(COO)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(H){2|C<3>,2|O<2>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(OC)(O)	111.2850	0.000	1	111.2850	0.000	1	111.2850	0.000	1	111.2850	0.000	1	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	3:3:3:1:	4:4:1:	4:3:1:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6]-4:S[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CCH)(H)	N[6](C[6]C[6,6a]CH)(S[6]O[6]OO)(H)	C(C[6]C[6,6a]N[6]H)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CCH)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	N[6](C[6]C[6,6a]CH)(S[6]O[6]OO)(H){2|C<3>}	C(C[6]C[6,6a]N[6]H)(CCH)(H)	108.8735	0.881	4	108.8735	0.776	4	108.8735	0.776	4	109.3525	1.088	6	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	3:3:3:1:	4:4:1:	4:3:1:	C[6]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]O[6]O)(N[6]C[6]H)(CCH)(H)	N[6](C[6]C[6a]2C[6])(C[6]C[6]CH)(H)	C(C[6]C[6]N[6]H)(CC[6a]N)(H)	C[6](C[6]O[6]O)(N[6]C[6]H)(CCH)(H){1|C<4>,2|C<3>}	N[6](C[6]C[6a]2C[6])(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C(C[6]C[6]N[6]H)(CC[6a]N)(H)	110.3105	0.600	2	110.3105	0.360	2	110.3105	0.360	2	109.3525	1.088	6	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	3:3:3:1:	4:4:2:	4:3:1:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:O-2:	C[6]-4:N-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CNO)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OH)	C(C[6]C[6,6a]N[6]H)(NCH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CNO)(H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OH){2|C<3>,2|H<1>}	C(C[6]C[6,6a]N[6]H)(NCH)(O)	110.2990	0.000	1	110.2990	0.000	1	110.2990	0.000	1	110.2990	0.000	1	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	3:3:3:1:	4:4:3:	4:3:1:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CNO)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO)	C(C[6]C[6,6a]N[6]H)(NCH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CNO)(H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO){1|H<1>,3|C<3>}	C(C[6]C[6,6a]N[6]H)(NCH)(O)	108.6890	0.000	1	108.6890	0.000	1	108.6890	0.000	1	108.6890	0.000	1	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	3:3:3:1:	4:4:4:	3:4:3:	N[6]-3:N[6]-3:C-3:H-1:	S[6]-4:C[6]-4:C-4:	C[6a]-3:C[6]-4:C-3:	C[6](N[6]C[6,6a]S)(N[6]S[6]C)(CC[6a]C)(H)	N[6](S[6]C[6,6a]OO)(C[6]N[6]CH)(CH3)	C(C[6a]C[6a]2)(C[6]N[6]2H)(CHH)	C[6](N[6]C[6,6a]S)(N[6]S[6]C)(CC[6a]C)(H){2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]N[6]CH)(CH3){1|S<4>,2|C<3>}	C(C[6a]C[6a]2)(C[6]N[6]2H)(CHH)	109.5820	0.000	1	109.5820	0.000	1	109.5820	0.000	1	109.5820	0.000	1	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	3:3:3:1:	4:4:4:	4:3:1:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CNO)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH)	C(C[6]C[6,6a]N[6]H)(NC[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CNO)(H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|H<1>}	C(C[6]C[6,6a]N[6]H)(NC[6]H)(O)	109.6690	0.000	1	109.6690	0.000	1	109.6690	0.000	1	109.6690	0.000	1	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	3:3:3:1:	4:4:4:	4:4:3:	C[6]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:C-4:C-3:	C[6](C[6]C[6]C)(N[6]C[6]S)(CCC)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C(C[6]C[6]N[6]H)(CH3)(CHH)	C[6](C[6]C[6]C)(N[6]C[6]S)(CCC)(H){1|C<3>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|C<3>}	C(C[6]C[6]N[6]H)(CH3)(CHH)	107.5790	0.597	2	107.5790	0.356	2	107.5790	0.356	2	107.5790	0.356	2	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	3:3:3:3:	4:4:1:	4:2:1:	C[6,6a]-3:C[6a]-3:N[6]-3:C-3:	C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(COO)	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]O[6]H)(H)	C(C[6]C[6,6a]C[6a]N[6])(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(COO){1|O<2>,4|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]O[6]H)(H){6|C<3>}	C(C[6]C[6,6a]C[6a]N[6])(OC)(O)	104.8120	0.000	1	104.8120	0.000	1	104.8120	0.000	1	107.5132	5.225	4	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	3:3:3:3:	4:4:1:	4:2:1:	C[6,6a]-3:C[6a]-3:N[6]-3:C-3:	C[6]-4:S[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(COO)	N[6](C[6]C[6,6a]C[6a]C)(S[6]O[6]OO)(H)	C(C[6]C[6,6a]C[6a]N[6])(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(COO){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	N[6](C[6]C[6,6a]C[6a]C)(S[6]O[6]OO)(H){4|C<3>}	C(C[6]C[6,6a]C[6a]N[6])(OC)(O)	108.3240	0.000	1	108.3240	0.000	1	108.3240	0.000	1	107.5132	5.225	4	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	3:3:3:3:	4:4:1:	4:2:1:	C[6,6a]-3:N[6]-3:C-3:C-3:	C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(COO)2	N[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CC)(H)	C(C[6]C[6,6a]N[6]C)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(COO)2{1|O<2>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CC)(H){4|C<3>}	C(C[6]C[6,6a]N[6]C)(OC)(O)	108.4585	2.436	2	108.4585	5.934	2	108.4585	5.934	2	107.5132	5.225	4	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	3:3:4:3:	3:4:1:	4:2:1:	N[6]-3:C[6]-3:C-4:C-3:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C(C[6]C[6]N[6]C)(OC)(O)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)(COO){3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){1|H<1>,4|C<3>}	C(C[6]C[6]N[6]C)(OC)(O)	110.1530	0.000	1	110.5463	0.116	3	110.5463	0.116	3	110.6968	0.168	4	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	3:3:4:3:	3:4:1:	4:2:1:	N[6]-3:C[6]-3:C-4:C-3:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C(C[6]C[6]N[6]C)(OC)(O)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)(COO){3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){2|H<1>,3|C<3>}	C(C[6]C[6]N[6]C)(OC)(O)	110.7430	0.007	2	110.5463	0.116	3	110.5463	0.116	3	110.6968	0.168	4	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	3:3:4:3:	3:4:1:	4:2:1:	N[6]-3:C[6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)	C(C[6]C[6a]C[6]N[6])(OC)(O)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(COO){4|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H){1|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6a]C[6]N[6])(OC)(O)	111.1480	0.000	1	111.1480	0.000	1	111.1480	0.000	1	110.6968	0.168	4	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	3:3:4:3:	3:4:4:	4:2:1:	N[6]-3:N[6]-3:C-4:C-3:	C[6a]-3:C[6]-4:S[6]-4:	C[6]-4:O-2:O-1:	C[6](N[6]C[6a]S[6])(N[6]C[6]H)(CH3)(COO)	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(S[6]N[6]OO)	C(C[6]N[6]2C)(OC)(O)	C[6](N[6]C[6a]S[6])(N[6]C[6]H)(CH3)(COO){1|N<2>,1|N<3>,2|C<3>,2|O<1>}	N[6](C[6a]C[6a]2)(C[6]N[6]CC)(S[6]N[6]OO){3|C<3>,3|H<1>}	C(C[6]N[6]2C)(OC)(O)	108.0690	0.000	1	108.0690	0.000	1	108.0690	0.000	1	108.0690	0.000	1	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	3:3:4:3:	4:4:1:	4:2:1:	C[6,6a]-3:N[6]-3:C-4:C-3:	C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CHHS)(COO)	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	C(C[6]C[6,6a]N[6]C)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CHHS)(COO){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H){2|C<3>,2|H<1>}	C(C[6]C[6,6a]N[6]C)(OC)(O)	109.8510	0.000	1	109.8510	0.000	1	109.8510	0.000	1	109.8510	0.000	1	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	3:3:4:3:	4:4:1:	4:2:2:	N[6]-3:C[6]-3:C-4:C-3:	C[6,6]-4:C[6]-4:H-1:	C[6]-4:N-2:S-2:	C[6](N[6]C[6,6]H)(C[6]N[6]O)(CH3)(CNS)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)	C(C[6]C[6]N[6]C)(NC[6a])(SC[6])	C[6](N[6]C[6,6]H)(C[6]N[6]O)(CH3)(CNS){2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[6]C[6]N[6]C)(NC[6a])(SC[6])	105.0800	0.000	1	105.0800	0.000	1	105.0800	0.000	1	105.0800	0.000	1	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	3:3:4:3:	4:4:1:	4:3:1:	C[5a,6]-3:N[6]-3:C-4:C-3:	C[6]-4:C[6]-4:H-1:	C[6]-4:N-3:O-1:	C[6](C[5a,6]C[5a,6,6a]C[5a])(N[6]C[6]H)(CCHH)(CNO)	N[6](C[6]C[5a,6]CC)(C[6]C[6,6a]HH)(H)	C(C[6]C[5a,6]N[6]C)(NC[6a]H)(O)	C[6](C[5a,6]C[5a,6,6a]C[5a])(N[6]C[6]H)(CCHH)(CNO){1|N<3>,2|C<3>,3|H<1>}	N[6](C[6]C[5a,6]CC)(C[6]C[6,6a]HH)(H){3|C<3>}	C(C[6]C[5a,6]N[6]C)(NC[6a]H)(O)	107.6190	0.000	1	107.6190	0.000	1	107.6190	0.000	1	109.8797	3.927	3	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	3:3:4:3:	4:4:1:	4:3:1:	C[6]-3:N[6]-3:C-4:C-3:	C[6]-4:C[6]-4:H-1:	C[6]-4:N-3:O-1:	C[6](C[6]O[6]H)(N[6]C[6]H)(CH3)(CNO)	N[6](C[6]C[6]CC)(C[6]C[6]CH)(H)	C(C[6]C[6]N[6]C)(NCH)(O)	C[6](C[6]O[6]H)(N[6]C[6]H)(CH3)(CNO){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]CC)(C[6]C[6]CH)(H){1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]N[6]C)(NCH)(O)	111.0100	0.433	2	111.0100	0.187	2	111.0100	0.187	2	109.8797	3.927	3	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	3:3:4:3:	4:4:1:	4:4:1:	C[5a,6]-3:N[6]-3:C-4:C-3:	C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:O-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CH3)(CCO)	N[6](C[6]C[5a,6]CC)(C[6]C[6]CH)(H)	C(C[6]C[5a,6]N[6]C)(CH3)(O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CH3)(CCO){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[5a,6]CC)(C[6]C[6]CH)(H){1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[5a,6]N[6]C)(CH3)(O)	110.2650	0.000	1	110.2650	0.000	1	110.2650	0.000	1	110.2650	0.000	1	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	3:3:4:3:	4:4:1:	4:4:2:	N[6]-3:N[6]-3:C-4:C-3:	C[6]-4:C[6]-4:H-1:	C[6]-4:C-4:N-2:	C[6](N[6]C[6]H)2(CH3)(CCN)	N[6](C[6]C[6]HH)(C[6]N[6]CC)(H)	C(C[6]N[6]2C)(CH3)(NO)	C[6](N[6]C[6]H)2(CH3)(CCN){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]CC)(H){1|H<1>,3|C<4>}	C(C[6]N[6]2C)(CH3)(NO)	111.2470	1.394	2	111.2470	1.944	2	111.2470	1.944	2	111.2470	1.944	2	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	3:3:4:3:	4:4:3:	4:4:1:	C[5a,6]-3:N[6]-3:C-4:C-3:	C[6]-4:C[6]-4:C-3:	C[6]-4:C-4:O-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CH3)(CCO)	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(COO)	C(C[6]C[5a,6]N[6]C)(CCCH)(O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CH3)(CCO){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(COO){1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[5a,6]N[6]C)(CCCH)(O)	110.9660	0.000	1	110.9660	0.000	1	110.9505	0.000	2	110.9505	0.000	2	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	3:3:4:3:	4:4:3:	4:4:1:	C[5a,6]-3:N[6]-3:C-4:C-3:	C[6]-4:C[6]-4:C-3:	C[6]-4:C-4:O-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CH3)(CCO)	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(COO)	C(C[6]C[5a,6]N[6]C)(CCHI)(O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CH3)(CCO){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(COO){1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[5a,6]N[6]C)(CCHI)(O)	110.9350	0.000	1	110.9350	0.000	1	110.9505	0.000	2	110.9505	0.000	2	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	3:3:4:3:	4:4:4:	4:3:1:	C[6]-3:N[6]-3:C-4:C-3:	C[6]-4:C[6]-4:C-4:	C[6]-4:N-3:S-1:	C[6](C[6]N[6]O)(N[6]C[6]C)(CH3)(CNS)	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)	C(C[6]C[6]N[6]C)(NC[6a]H)(S)	C[6](C[6]N[6]O)(N[6]C[6]C)(CH3)(CNS){1|C<4>,3|H<1>}	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH){1|N<3>,1|O<1>,2|H<1>}	C(C[6]C[6]N[6]C)(NC[6a]H)(S)	106.5520	0.000	1	106.5520	0.000	1	106.5520	0.000	1	106.5520	0.000	1	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	3:4:3:1:	3:4:4:	3:4:1:	N[6]-3:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	N[5]-3:C[6]-4:O-1:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CN[5]O)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)	C(N[5]C[5,5,6]S[5])(C[6]C[6]N[6]H)(O)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CN[5]O)(H){3|C<3>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH){3|C<3>,5|H<1>}	C(N[5]C[5,5,6]S[5])(C[6]C[6]N[6]H)(O)	112.1600	0.000	1	112.1600	0.000	1	112.1600	0.000	1	112.1600	0.000	1	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	3:4:3:1:	4:4:3:	4:2:1:	N[6]-3:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:O-2:O-1:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(COO)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(COO)	C(C[6]C[6]N[6]H)(OC)(O)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(COO)(H){2|C<4>,3|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(COO){3|C<4>,5|H<1>}	C(C[6]C[6]N[6]H)(OC)(O)	111.6230	0.000	1	111.6230	0.000	1	111.6230	0.000	1	112.7650	2.608	2	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	3:4:3:1:	4:4:3:	4:2:1:	N[6]-3:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:N-3:	C[6]-4:O-2:O-1:	C[6](N[6]C[6,6]N)(C[6]C[6]HH)(COO)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(NCH)	C(C[6]C[6]N[6]H)(OC)(O)	C[6](N[6]C[6,6]N)(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(NCH){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6]N[6]H)(OC)(O)	113.9070	0.000	1	113.9070	0.000	1	113.9070	0.000	1	112.7650	2.608	2	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	3:4:3:1:	4:4:4:	4:4:3:	N[6]-3:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:S-4:	C[6]-4:C-4:C-3:	C[6](N[6]C[6,6]S)(C[6]O[6]HH)(CCC)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(SC[6a]OO)	C(C[6]C[6]N[6]H)(CH3)(CHH)	C[6](N[6]C[6,6]S)(C[6]O[6]HH)(CCC)(H){1|H<1>,2|C<4>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(SC[6a]OO){1|O<2>,2|C<4>,5|H<1>}	C(C[6]C[6]N[6]H)(CH3)(CHH)	110.9120	0.000	1	110.9120	0.000	1	110.9120	0.000	1	110.9120	0.000	1	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	3:4:4:3:	3:4:1:	4:2:1:	N[6]-3:C[6]-4:C-4:C-3:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C(C[6]C[6]N[6]C)(OC)(O)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)(COO){1|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]N[6]C)(OC)(O)	111.7580	0.000	1	111.7580	0.000	1	111.7580	0.000	1	111.7580	0.000	1	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:2:3:	4:3:4:	4:2:1:	C[6]-4:N[6]-3:S-2:C-3:	C[6]-4:C[6]-3:S-4:	C[6]-4:N-2:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]S)(SC[6a])(CHN)	N[6](C[6]C[6]CS)(C[6]C[6]H)(SC[6a]OO)	C(C[6]C[6]N[6]S)(NS)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(SC[6a])(CHN){1|C<3>,3|H<1>}	N[6](C[6]C[6]CS)(C[6]C[6]H)(SC[6a]OO){1|C<4>,1|S<2>,2|H<1>}	C(C[6]C[6]N[6]S)(NS)(H)	113.4180	0.000	1	113.4180	0.000	1	113.4180	0.000	1	113.4180	0.000	1	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:1:	3:4:1:	4:2:1:	C[5,6]-4:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(COO)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(H)	C(C[6]C[5,6]N[6]H)(OC)(O)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(COO)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]N[6]H)(OC)(O)	108.7270	0.000	1	108.7270	0.000	1	108.7270	0.000	1	106.8904	1.295	5	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:1:	3:4:1:	4:2:1:	C[6]-4:N[6]-3:C-3:H-1:	N[6]-3:C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(N[6]N[6]H)(COO)(H)	N[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)	C(C[6]C[6]N[6]H)(OC)(O)	C[6](C[6]C[6]HH)(N[6]N[6]H)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	N[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6]N[6]H)(OC)(O)	106.4313	0.566	4	106.4313	0.321	4	106.4313	0.321	4	106.8904	1.295	5	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:1:	3:4:4:	4:2:1:	C[5,6]-4:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:O-2:O-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(N[6]C[6,6a]S)(COO)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(SC[6a]OO)	C(C[6]C[5,6]N[6]H)(OC)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(N[6]C[6,6a]S)(COO)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	C(C[6]C[5,6]N[6]H)(OC)(O)	110.2940	0.000	1	110.2940	0.000	1	110.2940	0.000	1	110.2940	0.000	1	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:1:	3:4:4:	4:3:1:	C[5,6]-4:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:C[6a]-3:O-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(N[6]C[6,6a]S)(CC[6a]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(SC[6a]OO)	C(C[6]C[5,6]N[6]H)(C[6a]C[6a]2)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(N[6]C[6,6a]S)(CC[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	C(C[6]C[5,6]N[6]H)(C[6a]C[6a]2)(O)	109.6740	0.000	1	109.6740	0.000	1	109.6740	0.000	1	109.6740	0.000	1	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:1:	4:2:4:	4:2:1:	C[5,6]-4:N[6]-3:C-3:H-1:	C[6]-4:O[6]-2:C-4:	C[6]-4:O-2:O-1:	C[6](C[5,6]C[5,6]C[5]H)(N[6]O[6]C)(COO)(H)	N[6](C[6]C[5,6]CH)(O[6]C[5,6])(CC[6a]CH)	C(C[6]C[5,6]N[6]H)(OC)(O)	C[6](C[5,6]C[5,6]C[5]H)(N[6]O[6]C)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[5,6]CH)(O[6]C[5,6])(CC[6a]CH){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[5,6]N[6]H)(OC)(O)	116.8530	0.000	1	116.8530	0.000	1	116.8530	0.000	1	116.8530	0.000	1	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:1:	4:3:4:	4:3:1:	C[5,5,6,6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:N-3:O-1:	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[5,6a])(N[6]C[6]C)(CNO)(H)	N[6](C[6]C[5,5,6,6]CH)(C[6]C[6,6]O)(CC[6a]HH)	C(C[6]C[5,5,6,6]N[6]H)(NCH)(O)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[5,6a])(N[6]C[6]C)(CNO)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|N<3>}	N[6](C[6]C[5,5,6,6]CH)(C[6]C[6,6]O)(CC[6a]HH){1|C<3>,4|C<4>}	C(C[6]C[5,5,6,6]N[6]H)(NCH)(O)	114.2000	0.000	1	114.2000	0.000	1	114.2000	0.000	1	114.2000	0.000	1	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:1:	4:4:1:	4:2:1:	C[6]-4:N[6]-3:C-3:H-1:	C[4,6]-4:C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[5a,6]HH)(N[6]C[4,6]H)(COO)(H)	N[6](C[4,6]C[5a,6]C[4]2)(C[6]C[6]CH)(H)	C(C[6]C[6]N[6]H)(OC)(O)	C[6](C[6]C[5a,6]HH)(N[6]C[4,6]H)(COO)(H){2|C<3>,2|C<4>}	N[6](C[4,6]C[5a,6]C[4]2)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C(C[6]C[6]N[6]H)(OC)(O)	108.5360	0.759	3	108.5360	0.576	3	108.5360	0.576	3	109.6774	4.396	20	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:1:	4:4:1:	4:2:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[5a,6]CH)(N[6]C[6]H)(COO)(H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(H)	C(C[6]C[6]N[6]H)(OC)(O)	C[6](C[6]C[5a,6]CH)(N[6]C[6]H)(COO)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(H){1|C<4>,1|H<1>,4|C<3>}	C(C[6]C[6]N[6]H)(OC)(O)	115.3190	0.000	1	115.3190	0.000	1	110.0391	4.719	16	109.6774	4.396	20	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:1:	4:4:1:	4:2:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H)	N[6](C[6]C[5a,6]CC)(C[6]C[6]CH)(H)	C(C[6]C[6]N[6]H)(OC)(O)	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H){1|C<4>,3|C<3>}	N[6](C[6]C[5a,6]CC)(C[6]C[6]CH)(H){1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[6]N[6]H)(OC)(O)	108.5420	0.000	1	108.5420	0.000	1	110.0391	4.719	16	109.6774	4.396	20	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:1:	4:4:1:	4:2:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H)	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(H)	C(C[6]C[6]N[6]H)(OC)(O)	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(H){1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[6]N[6]H)(OC)(O)	107.8880	0.000	1	107.8880	0.000	1	110.0391	4.719	16	109.6774	4.396	20	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:1:	4:4:1:	4:2:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(H)	C(C[6]C[6]N[6]H)(OC)(O)	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H){1|H<1>,3|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(H){1|N<3>,2|H<1>,3|C<3>}	C(C[6]C[6]N[6]H)(OC)(O)	109.6115	1.081	2	109.6115	1.169	2	110.0391	4.719	16	109.6774	4.396	20	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:1:	4:4:1:	4:2:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(COO)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(H)	C(C[6]C[6]N[6]H)(OC)(O)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(COO)(H){1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(H){2|H<1>,4|C<3>}	C(C[6]C[6]N[6]H)(OC)(O)	109.2435	2.609	4	109.2435	6.806	4	110.0391	4.719	16	109.6774	4.396	20	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:1:	4:4:1:	4:2:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]CH)(N[6]C[6]H)(COO)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)	C(C[6]C[6]N[6]H)(OC)(O)	C[6](C[6]C[6]CH)(N[6]C[6]H)(COO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6]N[6]H)(OC)(O)	108.4240	0.000	1	109.8545	4.093	2	110.0391	4.719	16	109.6774	4.396	20	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:1:	4:4:1:	4:2:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]CH)(N[6]C[6]H)(COO)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)	C(C[6]C[6]N[6]H)(OC)(O)	C[6](C[6]C[6]CH)(N[6]C[6]H)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6]N[6]H)(OC)(O)	111.2850	0.000	1	109.8545	4.093	2	110.0391	4.719	16	109.6774	4.396	20	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:1:	4:4:1:	4:2:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(COO)(H)	N[6](C[6]C[6]CH)2(H)	C(C[6]C[6]N[6]H)(OC)(O)	C[6](C[6]C[6]HH)(N[6]C[6]H)(COO)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)2(H){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(OC)(O)	109.6265	0.301	2	109.6265	0.090	2	110.0391	4.719	16	109.6774	4.396	20	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:1:	4:4:1:	4:2:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]S[6]HH)(N[6]C[6]H)(COO)(H)	N[6](C[6]C[6]CH)2(H)	C(C[6]C[6]N[6]H)(OC)(O)	C[6](C[6]S[6]HH)(N[6]C[6]H)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CH)2(H){1|S<3>,4|H<1>}	C(C[6]C[6]N[6]H)(OC)(O)	111.2390	1.151	3	111.2390	1.326	3	110.0391	4.719	16	109.6774	4.396	20	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:1:	4:4:1:	4:2:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:S[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(N[6]S[6]H)(COO)(H)	N[6](C[6]C[6]CH)(S[6]N[6]OO)(H)	C(C[6]C[6]N[6]H)(OC)(O)	C[6](C[6]C[6]HH)(N[6]S[6]H)(COO)(H){1|N<3>,2|H<1>,2|O<1>}	N[6](C[6]C[6]CH)(S[6]N[6]OO)(H){2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(OC)(O)	107.3140	0.000	1	107.3140	0.000	1	107.3140	0.000	1	109.6774	4.396	20	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:1:	4:4:1:	4:3:1:	C[6,6]-4:N[6]-3:C-3:H-1:	C[6]-4:S[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(N[6]S[6]H)(CCH)(H)	N[6](C[6]C[6,6]CH)(S[6]N[6]OO)(H)	C(C[6]C[6,6]N[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]S[6]H)(CCH)(H){1|N<3>,2|C<4>,2|O<1>,3|H<1>}	N[6](C[6]C[6,6]CH)(S[6]N[6]OO)(H){1|H<1>,3|C<4>}	C(C[6]C[6,6]N[6]H)(CHH)(H)	107.4950	0.000	1	107.4950	0.000	1	107.4950	0.000	1	109.5641	5.311	9	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:1:	4:4:1:	4:3:1:	C[6]-4:N[6]-3:C-3:H-1:	C[4,6]-4:C[6]-4:H-1:	C[6]-4:N-3:O-1:	C[6](C[6]C[5a,6]HH)(N[6]C[4,6]H)(CNO)(H)	N[6](C[4,6]C[5a,6]C[4]2)(C[6]C[6]CH)(H)	C(C[6]C[6]N[6]H)(NCH)(O)	C[6](C[6]C[5a,6]HH)(N[6]C[4,6]H)(CNO)(H){2|C<3>,2|C<4>}	N[6](C[4,6]C[5a,6]C[4]2)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,2|N<3>,5|H<1>}	C(C[6]C[6]N[6]H)(NCH)(O)	106.6490	0.000	1	106.6490	0.000	1	106.6490	0.000	1	109.5641	5.311	9	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:1:	4:4:1:	4:3:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6]N[6]H)(CCH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCH)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]N[6]H)(CCH)(H)	108.8340	0.000	1	108.8340	0.000	1	108.8340	0.000	1	109.5641	5.311	9	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:1:	4:4:1:	4:3:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:N-3:O-1:	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(CNO)(H)	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(H)	C(C[6]C[6]N[6]H)(NHH)(O)	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(CNO)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(H){1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[6]N[6]H)(NHH)(O)	110.6450	0.000	1	110.6450	0.000	1	111.7553	1.505	4	109.5641	5.311	9	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:1:	4:4:1:	4:3:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:N-3:O-1:	C[6](C[6]C[6]FH)(N[6]C[6]H)(CNO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6]N[6]H)(NC[6a]H)(O)	C[6](C[6]C[6]FH)(N[6]C[6]H)(CNO)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|F<1>,3|H<1>}	C(C[6]C[6]N[6]H)(NC[6a]H)(O)	111.1550	0.000	1	111.1550	0.000	1	111.7553	1.505	4	109.5641	5.311	9	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:1:	4:4:1:	4:3:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:N-3:O-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CNO)(H)	N[6](C[6]C[6]CH)2(H)	C(C[6]C[6]N[6]H)(NCH)(O)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CNO)(H){1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)2(H){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(NCH)(O)	111.7560	0.000	1	111.7560	0.000	1	111.7553	1.505	4	109.5641	5.311	9	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:1:	4:4:1:	4:3:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:N-3:O-1:	C[6](C[6]C[6a]N[6]H)(N[6]C[6]H)(CNO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	C(C[6]C[6]N[6]H)(NC[6a]H)(O)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]H)(CNO)(H){2|H<1>,4|C<3>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6]H)(NC[6a]H)(O)	113.4650	0.000	1	113.4650	0.000	1	111.7553	1.505	4	109.5641	5.311	9	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:1:	4:4:1:	4:3:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:S[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(N[6]S[6]H)(CCH)(H)	N[6](C[6]C[6]CH)(S[6]O[6]OO)(H)	C(C[6]C[6]N[6]H)(CHH)(H)	C[6](C[6]C[6]HH)(N[6]S[6]H)(CCH)(H){1|C<4>,1|H<1>,1|O<2>,2|O<1>}	N[6](C[6]C[6]CH)(S[6]O[6]OO)(H){1|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CHH)(H)	108.6740	0.000	1	108.6740	0.000	1	108.6740	0.000	1	109.5641	5.311	9	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:1:	4:4:1:	4:3:1:	C[6]-4:N[6]-3:C-3:H-1:	S[6]-4:C[6]-4:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[5,6]HH)(N[6]S[6]H)(CCH)(H)	N[6](S[6]N[5,6]OO)(C[6]C[6]CH)(H)	C(C[6]C[6]N[6]H)(CHH)(H)	C[6](C[6]C[5,6]HH)(N[6]S[6]H)(CCH)(H){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	N[6](S[6]N[5,6]OO)(C[6]C[6]CH)(H){2|C<4>,2|H<1>}	C(C[6]C[6]N[6]H)(CHH)(H)	107.4040	0.000	1	107.4040	0.000	1	107.4040	0.000	1	109.5641	5.311	9	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:1:	4:4:1:	4:4:1:	C[6,6]-4:N[6]-3:C-3:H-1:	C[6]-4:S[6]-4:H-1:	C[6]-4:C-4:O-1:	C[6](C[6,6]C[6,6]C[6]H)(N[6]S[6]H)(CCO)(H)	N[6](C[6]C[6,6]CH)(S[6]N[6]OO)(H)	C(C[6]C[6,6]N[6]H)(CH3)(O)	C[6](C[6,6]C[6,6]C[6]H)(N[6]S[6]H)(CCO)(H){1|N<3>,2|C<4>,2|O<1>,3|H<1>}	N[6](C[6]C[6,6]CH)(S[6]N[6]OO)(H){1|H<1>,3|C<4>}	C(C[6]C[6,6]N[6]H)(CH3)(O)	109.2980	3.008	2	109.2980	9.048	2	109.2980	9.048	2	108.0337	9.320	3	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:1:	4:4:1:	4:4:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:S[6]-4:H-1:	C[6]-4:C-4:O-1:	C[6](C[6]C[6]CH)(N[6]S[6]H)(CCO)(H)	N[6](C[6]C[6]CH)(S[6]N[6]OO)(H)	C(C[6]C[6]N[6]H)(CH3)(O)	C[6](C[6]C[6]CH)(N[6]S[6]H)(CCO)(H){1|N<3>,2|H<1>,2|O<1>}	N[6](C[6]C[6]CH)(S[6]N[6]OO)(H){1|H<1>,3|C<4>}	C(C[6]C[6]N[6]H)(CH3)(O)	105.5050	0.000	1	105.5050	0.000	1	105.5050	0.000	1	108.0337	9.320	3	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:1:	4:4:3:	4:2:1:	C[6,6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:O-2:O-1:	C[6](C[6,6]C[5,6,6]C[6,6a]H)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[6a]C)	C(C[6]C[6,6]N[6]H)(OC)(O)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(N[6]C[6]C)(COO)(H){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[6a]C){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6,6]N[6]H)(OC)(O)	104.9080	0.000	1	104.9080	0.000	1	104.9080	0.000	1	108.7607	11.337	3	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:1:	4:4:3:	4:2:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[6]CH)(C[6]N[6]CH)(CC[6a]O)	C(C[6]C[6]N[6]H)(OC)(O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[6](C[6]C[6]CH)(C[6]N[6]CH)(CC[6a]O){1|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(OC)(O)	111.1390	0.000	1	111.1390	0.000	1	111.1390	0.000	1	108.7607	11.337	3	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:1:	4:4:3:	4:2:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(N[6]C[6]N)(COO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)	C(C[6]C[6]N[6]H)(OC)(O)	C[6](C[6]C[6]HH)(N[6]C[6]N)(COO)(H){2|C<3>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH){1|C<3>,3|H<1>}	C(C[6]C[6]N[6]H)(OC)(O)	110.2350	0.000	1	110.2350	0.000	1	110.2350	0.000	1	108.7607	11.337	3	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:1:	4:4:3:	4:3:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N-3:O-1:	C[6](C[6]C[6]CC)(N[6]C[6]C)(CNO)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CCO)	C(C[6]C[6]N[6]H)(NCH)(O)	C[6](C[6]C[6]CC)(N[6]C[6]C)(CNO)(H){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CCO){2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6]N[6]H)(NCH)(O)	110.0010	0.000	1	110.0010	0.000	1	110.2458	3.359	5	110.2458	3.359	5	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:1:	4:4:3:	4:3:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N-3:O-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	C(C[6]C[6]N[6]H)(NC[5a]H)(O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(NC[5a]H)(O)	108.8590	0.000	1	108.8590	0.000	1	110.2458	3.359	5	110.2458	3.359	5	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:1:	4:4:3:	4:3:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N-3:O-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CNN)	C(C[6]C[6]N[6]H)(NCH)(O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CNN){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(NCH)(O)	111.1040	3.158	2	111.1040	9.973	2	110.2458	3.359	5	110.2458	3.359	5	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:1:	4:4:3:	4:3:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:N-3:O-1:	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(CNO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	C(C[6]C[6]N[6]H)(NCH)(O)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(CNO)(H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6]H)(NCH)(O)	110.1610	0.000	1	110.1610	0.000	1	110.2458	3.359	5	110.2458	3.359	5	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:1:	4:4:4:	4:2:1:	C[6]-4:N[6]-3:C-3:H-1:	C[5,6]-4:C[6]-4:C-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[5,6]HH)(N[6]C[5,6]C)(COO)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[6a]HH)	C(C[6]C[6]N[6]H)(OC)(O)	C[6](C[6]C[5,6]HH)(N[6]C[5,6]C)(COO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[6a]HH){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C(C[6]C[6]N[6]H)(OC)(O)	113.5240	0.000	1	113.5240	0.000	1	113.5240	0.000	1	113.1430	7.184	9	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:1:	4:4:4:	4:2:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[5,5,6]HH)(C[6]C[6]CH)(CC[6a]HH)	C(C[6]C[6]N[6]H)(OC)(O)	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(COO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6]C[5,5,6]HH)(C[6]C[6]CH)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[6]N[6]H)(OC)(O)	115.4100	0.000	1	115.4100	0.000	1	113.0341	9.517	7	113.1430	7.184	9	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:1:	4:4:4:	4:2:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(CC[6a]HH)	C(C[6]C[6]N[6]H)(OC)(O)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(COO)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(CC[6a]HH){1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[6]N[6]H)(OC)(O)	109.2725	1.363	2	109.2725	1.857	2	113.0341	9.517	7	113.1430	7.184	9	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:1:	4:4:4:	4:2:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)	C(C[6]C[6]N[6]H)(OC)(O)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(COO)(H){1|H<1>,3|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CC[6a]HH){1|N<3>,2|H<1>,3|C<3>}	C(C[6]C[6]N[6]H)(OC)(O)	115.6055	0.637	2	115.6055	0.406	2	113.0341	9.517	7	113.1430	7.184	9	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:1:	4:4:4:	4:2:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)	C(C[6]C[6]N[6]H)(OC)(O)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(COO)(H){1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(CC[6a]HH){2|H<1>,4|C<3>}	C(C[6]C[6]N[6]H)(OC)(O)	113.0365	2.770	2	113.0365	7.671	2	113.0341	9.517	7	113.1430	7.184	9	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:1:	4:4:4:	4:2:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:O-2:O-1:	C[6](C[6]O[6]HH)(N[6]C[6]S)(COO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C(C[6]C[6]N[6]H)(OC)(O)	C[6](C[6]O[6]HH)(N[6]C[6]S)(COO)(H){1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]N[6]H)(OC)(O)	113.5240	0.000	1	113.5240	0.000	1	113.5240	0.000	1	113.1430	7.184	9	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:1:	4:4:4:	4:3:1:	C[3,6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N-3:O-1:	C[6](C[3,6]N[3,6]C[3]H)(N[6]C[6]C)(CNO)(H)	N[6](C[6]C[3,6]CH)(C[6]C[6]CH)(CC[6a]HH)	C(C[6]C[3,6]N[6]H)(NCH)(O)	C[6](C[3,6]N[3,6]C[3]H)(N[6]C[6]C)(CNO)(H){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[3,6]CH)(C[6]C[6]CH)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[3,6]N[6]H)(NCH)(O)	113.6420	0.000	1	113.6420	0.000	1	113.6420	0.000	1	111.7675	3.333	12	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:1:	4:4:4:	4:3:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCH)(H)	N[6](C[6]C[6]CH)2(CH3)	C(C[6]C[6]N[6]H)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCH)(H){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]CH)2(CH3){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(CC[6a]H)(H)	111.7300	0.000	1	111.7300	0.000	1	111.7300	0.000	1	111.7675	3.333	12	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:1:	4:4:4:	4:3:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N-3:O-1:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(CNO)(H)	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCHH)	C(C[6]C[6]N[6]H)(NCH)(O)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(CNO)(H){2|C<4>,3|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCHH){2|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(NCH)(O)	112.5715	1.817	2	112.5715	3.300	2	111.9848	3.590	8	111.7675	3.333	12	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:1:	4:4:4:	4:3:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N-3:O-1:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CNO)(H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]HH)	C(C[6]C[6]N[6]H)(NC[6a]H)(O)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CNO)(H){2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]HH){2|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(NC[6a]H)(O)	114.0355	1.419	2	114.0355	2.014	2	111.9848	3.590	8	111.7675	3.333	12	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:1:	4:4:4:	4:3:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N-3:O-1:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CNO)(H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CH3)	C(C[6]C[6]N[6]H)(NCH)(O)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CNO)(H){2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CH3){2|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(NCH)(O)	111.6850	0.000	1	111.6850	0.000	1	111.9848	3.590	8	111.7675	3.333	12	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:1:	4:4:4:	4:3:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N-3:O-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H)	N[6](C[6]C[6]CH)2(CCHH)	C(C[6]C[6]N[6]H)(NC[6]H)(O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6]C[6]CH)2(CCHH){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(NC[6]H)(O)	110.0710	1.409	2	110.0710	1.984	2	111.9848	3.590	8	111.7675	3.333	12	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:1:	4:4:4:	4:3:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N-3:O-1:	C[6](C[6]C[6]HO)(N[6]C[6]C)(CNO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	C(C[6]C[6]N[6]H)(NHH)(O)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CNO)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]N[6]H)(NHH)(O)	110.8370	0.000	1	110.8370	0.000	1	111.9848	3.590	8	111.7675	3.333	12	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:1:	4:4:4:	4:3:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:N-3:S-1:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CNS)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)	C(C[6]C[6]N[6]H)(NCH)(S)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CNS)(H){1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(CC[6a]HH){2|H<1>,4|C<3>}	C(C[6]C[6]N[6]H)(NCH)(S)	110.7700	0.000	1	110.7700	0.000	1	110.7700	0.000	1	111.7675	3.333	12	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:1:	4:4:4:	4:3:1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:N-3:O-1:	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(CNO)(H)	N[6](C[6]C[5,6]HH)(C[6]C[6]CH)(SC[6a]OO)	C(C[6]C[6]N[6]H)(NC[6a]H)(O)	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(CNO)(H){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]CH)(SC[6a]OO){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]N[6]H)(NC[6a]H)(O)	109.1900	0.000	1	109.1900	0.000	1	109.1900	0.000	1	111.7675	3.333	12	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:1:	4:4:4:	4:4:3:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:C-4:C-3:	C[6](C[6]O[6]HH)(N[6]C[6]S)(CCC)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C(C[6]C[6]N[6]H)(CH3)(CHH)	C[6](C[6]O[6]HH)(N[6]C[6]S)(CCC)(H){1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|O<2>,3|H<1>}	C(C[6]C[6]N[6]H)(CH3)(CHH)	109.0560	0.000	1	112.8407	10.833	3	112.8407	10.833	3	112.8407	10.833	3	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:1:	4:4:4:	4:4:3:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:C-4:C-3:	C[6](C[6]O[6]HH)(N[6]C[6]S)(CCC)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	C(C[6]C[6]N[6]H)(CH3)(CHH)	C[6](C[6]O[6]HH)(N[6]C[6]S)(CCC)(H){1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]N[6]H)(CH3)(CHH)	114.7330	0.426	2	112.8407	10.833	3	112.8407	10.833	3	112.8407	10.833	3	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:2:	4:4:3:	4:3:1:	C[6]-4:N[6]-3:C-3:C-2:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6a]-3:O-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]O)(CN)	N[6](C[6]C[6]CC)(C[6]C[6]CH)(CNO)	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]O)(CN){2|C<4>,3|H<1>}	N[6](C[6]C[6]CC)(C[6]C[6]CH)(CNO){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(O)	114.3140	0.000	1	114.3140	0.000	1	115.4407	2.423	3	115.4407	2.423	3	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:2:	4:4:3:	4:3:1:	C[6]-4:N[6]-3:C-3:C-2:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6a]-3:O-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]O)(CN)	N[6](C[6]C[6]CC)(C[6]C[6]HH)(COO)	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]O)(CN){1|C<4>,4|H<1>}	N[6](C[6]C[6]CC)(C[6]C[6]HH)(COO){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(O)	116.0040	1.715	2	116.0040	2.943	2	115.4407	2.423	3	115.4407	2.423	3	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:2:	4:4:4:	4:2:1:	C[6]-4:N[6]-3:C-3:C-2:	C[6]-4:C[6]-4:C-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]CH)(N[6]C[6]C)(COO)(CN)	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)	C(C[6]C[6]N[6]C)(OC)(O)	C[6](C[6]C[6]CH)(N[6]C[6]C)(COO)(CN){1|N<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]N[6]C)(OC)(O)	111.7190	0.000	1	111.7190	0.000	1	111.7190	0.000	1	111.7190	0.000	1	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:3:	3:4:3:	4:2:1:	C[6]-4:N[6]-3:C-3:C-3:	C[6]-3:C[6]-4:C-3:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)2	N[6](C[6]C[6a]C[6])(C[6]C[6]CC)(CCO)	C(C[6]C[6]N[6]C)(OC)(O)	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)2{1|N<2>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]CC)(CCO){3|C<3>,3|H<1>}	C(C[6]C[6]N[6]C)(OC)(O)	111.8480	2.517	2	111.8480	6.337	2	111.8480	6.337	2	111.8480	6.337	2	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:3:	4:4:1:	4:2:1:	C[6]-4:N[6]-3:C-3:C-3:	C[5,6]-4:C[6]-4:H-1:	C[6]-4:O-2:O-1:	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[5,6]H)(COO)2	N[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6]C[6]CC)(H)	C(C[6]C[6]N[6]C)(OC)(O)	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[5,6]H)(COO)2{1|N<3>,5|C<3>}	N[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6]C[6]CC)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C(C[6]C[6]N[6]C)(OC)(O)	109.9180	5.134	2	109.9180	26.354	2	109.9180	26.354	2	109.9180	26.354	2	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:3:3:	4:4:4:	4:2:1:	C[6]-4:N[6]-3:C-3:C-3:	C[6]-4:C[6]-4:S-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[6]HO)(N[6]C[6]S)(COO)2	N[6](C[6]C[6a]S[6]H)(C[6]C[6]CC)(SC[6a]OO)	C(C[6]C[6]N[6]C)(OC)(O)	C[6](C[6]C[6]HO)(N[6]C[6]S)(COO)2{1|C<3>,1|S<2>,3|H<1>}	N[6](C[6]C[6a]S[6]H)(C[6]C[6]CC)(SC[6a]OO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]N[6]C)(OC)(O)	109.5665	0.906	2	109.5665	0.820	2	109.5665	0.820	2	109.5665	0.820	2	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:4:3:	4:4:1:	4:1:1:	C[6]-4:N[6]-3:C-4:C-3:	C[6]-4:C[6]-4:O-1:	C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)(CHH)	N[6](C[6]C[6]CC)2(O)	C(C[6]C[6]N[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)(CHH){2|H<1>,3|C<4>}	N[6](C[6]C[6]CC)2(O){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]C)(H)2	110.3900	0.000	1	110.3900	0.000	1	110.3900	0.000	1	110.3900	0.000	1	110.4963	6.590	143	110.5521	6.672	148
466	856	930	0:SP3_SP2_SP3	C[6]	N[6]	C	4:3:4:3:	4:4:1:	4:3:1:	C[6]-4:N[6]-3:C-4:C-3:	C[6]-4:C[6]-4:H-1:	C[6]-4:N-3:O-1:	C[6](C[6]O[6]HH)(N[6]C[6]H)(CH3)(CNO)	N[6](C[6]C[6]CC)(C[6]C[6]CH)(H)	C(C[6]C[6]N[6]C)(NCH)(O)	C[6](C[6]O[6]HH)(N[6]C[6]H)(CH3)(CNO){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]CC)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6]N[6]C)(NCH)(O)	111.1110	0.000	1	111.1110	0.000	1	111.1110	0.000	1	111.1110	0.000	1	110.4963	6.590	143	110.5521	6.672	148
466	856	941	0:SP3_SP2_SP2	C[6]	N[6,6]	N	3:4:2:1:	3:4:3:	4:2:	N[6,6]-3:C[6]-4:N-2:H-1:	N[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:N-2:	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(NN)(H)	N[6,6](N[6,6]C[6]2)(C[6]C[6]HN)(C[6]C[6]O)	N(C[6]N[6,6]C[6]H)(NN)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(NN)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6,6](N[6,6]C[6]2)(C[6]C[6]HN)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	N(C[6]N[6,6]C[6]H)(NN)	111.3475	0.053	2	111.3475	0.003	2	111.3475	0.003	2	111.3475	0.003	2	111.3475	0.003	2	111.3475	0.003	2
466	856	941	0:SP3_SP2_SP3	C[6]	N[6]	N	3:2:4:2:	3:4:4:	4:4:	N[6]-3:O[6]-2:C-4:N-2:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:C-4:	C[6](N[6]C[6,6a]S)(O[6]C[6])(CH3)(NC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CN)(SC[6a]OO)	N(C[6]N[6]O[6]C)(CCHH)	C[6](N[6]C[6,6a]S)(O[6]C[6])(CH3)(NC){1|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CN)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	N(C[6]N[6]O[6]C)(CCHH)	103.3510	0.000	1	103.3510	0.000	1	103.3510	0.000	1	103.3510	0.000	1	103.3510	0.000	1	103.3510	0.000	1
466	856	943	0:SP3_SP-NON_SP3	C[6,6]	N[6]	Ga[6]	4:4:3:1:	4:4:4:	4:4:4:4:	N[6,6]-4:Ga[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:N[6,6]-4:C-4:C-4:	C[6,6](N[6,6]Ga[6]C[6]C)(Ga[6]N[6,6]CC)(N[6]C[6]C)(H)	N[6](C[6,6]N[6,6]Ga[6]H)(C[6]N[6]HH)(CH3)	Ga[6](C[6,6]N[6,6]N[6]H)(N[6,6]C[6,6]C[6]C)(CCHH)2	C[6,6](N[6,6]Ga[6]C[6]C)(Ga[6]N[6,6]CC)(N[6]C[6]C)(H){1|N<3>,4|H<1>,5|C<4>}	N[6](C[6,6]N[6,6]Ga[6]H)(C[6]N[6]HH)(CH3){1|Ga<4>,1|N<4>,5|C<4>}	Ga[6](C[6,6]N[6,6]N[6]H)(N[6,6]C[6,6]C[6]C)(CCHH)2{1|Ga<4>,2|N<3>,3|H<1>,4|C<4>}	111.2060	0.000	1	111.2060	0.000	1	111.2060	0.000	1	111.2060	0.000	1	111.2060	0.000	1	111.2060	0.000	1
466	856	945	0:SP3_SP2_SP3	C[6]	N[6]	P	3:3:3:1:	3:4:3:	3:3:4:	N[6]-3:N[6]-3:P-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6](N[6]C[6a]C[6])2(PC[6a]2)(H)	N[6](C[6a]C[6a]2)(C[6]N[6]HP)(C[6]C[6]O)	P(C[6a]C[6a]2)2(C[6]N[6]2H)	C[6](N[6]C[6a]C[6])2(PC[6a]2)(H){1|C<4>,2|O<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]HP)(C[6]C[6]O){4|C<3>,4|C<4>}	P(C[6a]C[6a]2)2(C[6]N[6]2H)	111.1095	1.207	2	111.1095	1.457	2	111.1095	1.457	2	111.1095	1.457	2	111.1095	1.457	2	111.1095	1.457	2
466	856	945	0:SP3_SP3_SP3	C[6,6]	N[3x6]	P	3:3:3:1:	4:4:4:	4:3:3:	N[3x6]-3:P[3x6]-3:P-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(PC[6a]2)(H)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HP)	P(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)2	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(PC[6a]2)(H){2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HP){3|C<4>}	P(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)2	109.7600	0.000	1	109.7600	0.000	1	109.7600	0.000	1	109.7600	0.000	1	109.7600	0.000	1	109.7600	0.000	1
466	856	951	0:SP3_SP-NON_SP2	C[3x6]	N[3x6]	H	4:3:3:1:	4:4:3:	4:	C[5,6,6]-4:N[3x6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(N[3x6]C[3x6]C[6])(C[6,6]C[6,6]H)(H)	N[3x6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[3x6]C[5,6]H)(C[6]C[6]C)	H(C[3x6]C[5,6,6]C[6,6]N[3x6])	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(N[3x6]C[3x6]C[6])(C[6,6]C[6,6]H)(H){1|O<1>,2|C<4>,2|H<1>,2|N<3>,5|C<3>}	N[3x6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[3x6]C[5,6]H)(C[6]C[6]C){2|C<4>,2|H<1>,6|C<3>}	H(C[3x6]C[5,6,6]C[6,6]N[3x6])	110.3660	0.000	1	110.3660	0.000	1	110.3660	0.000	1	110.3660	0.000	1	108.6940	5.591	2	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[3x6]	N[3x6]	H	4:3:4:1:	4:4:3:	4:	C[5,6]-4:N[3x6]-3:C[3x6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6]-3:	C[3x6]-4:	C[3x6](C[5,6]C[5,6a]C[5]C[6])(N[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(H)	N[3x6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[3x6]C[5,6]H)(C[6]C[6]C)	H(C[3x6]C[3x6]C[5,6]N[3x6])	C[3x6](C[5,6]C[5,6a]C[5]C[6])(N[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(H){1|C<4>,1|O<1>,2|N<3>,3|H<1>,7|C<3>}	N[3x6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[3x6]C[5,6]H)(C[6]C[6]C){2|C<4>,2|H<1>,6|C<3>}	H(C[3x6]C[3x6]C[5,6]N[3x6])	107.0220	0.000	1	107.0220	0.000	1	107.0220	0.000	1	107.0220	0.000	1	108.6940	5.591	2	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[3x6]	N[6,6]	H	3:2:2:1:	4:4:3:	4:	N[6,6]-3:O[6,6]-2:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:C-3:	C[3x6]-4:	C[3x6](N[6,6]C[3x6]C)(O[6,6]C[3x6])(O[6,6]C[4x6])(H)	N[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)(CHO)	H(C[3x6]N[6,6]O[6,6]2)	C[3x6](N[6,6]C[3x6]C)(O[6,6]C[3x6])(O[6,6]C[4x6])(H){2|H<1>,4|C<4>}	N[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)(CHO){1|O<2>,2|C<4>,3|H<1>}	H(C[3x6]N[6,6]O[6,6]2)	108.4673	0.182	3	108.4673	0.033	3	108.5174	0.049	5	108.5174	0.049	5	110.1472	2.552	64	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[3x6]	N[6,6]	H	3:2:2:1:	4:4:3:	4:	N[6,6]-3:O[6,6]-2:O[6,6]-2:H-1:	C[3x6]-4:C[3x6]-4:C-3:	C[3x6]-4:	C[3x6](N[6,6]C[3x6]C)(O[6,6]C[3x6])2(H)	N[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)(CHO)	H(C[3x6]N[6,6]O[6,6]2)	C[3x6](N[6,6]C[3x6]C)(O[6,6]C[3x6])2(H){2|H<1>,4|C<4>}	N[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)(CHO){1|O<2>,2|C<4>,3|H<1>}	H(C[3x6]N[6,6]O[6,6]2)	108.5925	0.334	2	108.5925	0.112	2	108.5174	0.049	5	108.5174	0.049	5	110.1472	2.552	64	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[3x6]	N[6,6]	H	3:3:3:1:	3:4:1:	4:	C[6,6,6a]-3:C[6,6,6a]-3:N[6,6]-3:H-1:	C[5,6,6]-3:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6]H)(H)	N[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(H)	H(C[3x6]C[6,6,6a]2N[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6]H)(H){1|C<4>,2|H<1>,5|C<3>}	N[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(H){1|H<1>,1|S<2>,5|C<3>}	H(C[3x6]C[6,6,6a]2N[6,6])	112.9900	0.000	1	112.9900	0.000	1	112.9900	0.000	1	112.8543	0.081	3	110.1472	2.552	64	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[3x6]	N[6,6]	H	3:3:3:1:	3:4:1:	4:	C[6,6,6a]-3:C[6,6,6a]-3:N[6,6]-3:H-1:	C[5,6,6]-3:C[3x6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6]O)(H)	N[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(O)	H(C[3x6]C[6,6,6a]2N[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6]O)(H){1|C<4>,2|H<1>,5|C<3>}	N[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(O){1|H<1>,1|S<2>,5|C<3>}	H(C[3x6]C[6,6,6a]2N[6,6])	112.7865	0.367	2	112.7865	0.135	2	112.7865	0.135	2	112.8543	0.081	3	110.1472	2.552	64	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[3x6]	N[6,6]	H	3:3:3:1:	3:4:2:	4:	C[6,6,6a]-3:C[6,6,6a]-3:N[6,6]-3:H-1:	C[5,6,6]-3:C[3x6]-4:O-2:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6]O)(H)	N[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(OB)	H(C[3x6]C[6,6,6a]2N[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6]O)(H){1|C<4>,2|H<1>,5|C<3>}	N[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(OB){1|H<1>,1|S<2>,5|C<3>}	H(C[3x6]C[6,6,6a]2N[6,6])	113.0190	0.126	2	113.0190	0.016	2	113.0190	0.016	2	113.0190	0.016	2	110.1472	2.552	64	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[3x6]	N[6,6]	H	3:3:3:1:	3:4:4:	4:	C[6,6,6a]-3:C[6,6,6a]-3:N[6,6]-3:H-1:	C[5,6,6]-3:C[3x6]-4:B-4:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6]B)(H)	N[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(BC[6a]3)	H(C[3x6]C[6,6,6a]2N[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6]B)(H){1|C<4>,2|H<1>,5|C<3>}	N[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(BC[6a]3){1|H<1>,1|S<2>,5|C<3>}	H(C[3x6]C[6,6,6a]2N[6,6])	112.4860	0.000	1	112.4860	0.000	1	112.4860	0.000	1	110.3670	8.980	2	110.1472	2.552	64	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[3x6]	N[6,6]	H	3:3:3:1:	3:4:4:	4:	N[6,6]-3:N[6,6]-3:N[6,6]-3:H-1:	C[6,6a]-3:C[3x6]-4:C[6]-4:	C[3x6]-4:	C[3x6](N[6,6]C[6,6a]C[6])2(N[6,6]C[6]2)(H)	N[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[3x6]N[6,6]2H)(C[6]C[6]HH)	H(C[3x6]N[6,6]3)	C[3x6](N[6,6]C[6,6a]C[6])2(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,8|H<1>}	N[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[3x6]N[6,6]2H)(C[6]C[6]HH){3|C<3>,3|C<4>,3|H<1>}	H(C[3x6]N[6,6]3)	108.2480	0.000	1	108.2480	0.000	1	108.2480	0.000	1	110.3670	8.980	2	110.1472	2.552	64	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[3x6]	N[6,6]	H	3:3:3:1:	4:3:4:	4:	C[6,6a]-3:N[3x6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6a]-3:C[6]-4:	C[3x6]-4:	C[3x6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6a]C[6,6])(N[6,6]C[6,6a]C[6])(H)	N[6,6](C[3x6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)	H(C[3x6]C[6,6a]N[3x6]N[6,6])	C[3x6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6a]C[6,6])(N[6,6]C[6,6a]C[6])(H){2|N<3>,3|H<1>,6|C<3>}	N[6,6](C[3x6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN){1|C<4>,1|H<1>,6|C<3>}	H(C[3x6]C[6,6a]N[3x6]N[6,6])	107.6100	0.000	1	107.6100	0.000	1	107.6100	0.000	1	107.6100	0.000	1	110.1472	2.552	64	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[3x6]	N[6,6]	H	3:3:3:1:	4:4:3:	4:	C[6,6]-3:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(N[6,6]C[6,6]C)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(N[6,6]C[6,6]C)(H){1|C<4>,5|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[3x6]C[6,6]2N[6,6])	112.3910	0.194	2	112.3910	0.038	2	112.3910	0.038	2	112.3910	0.038	2	110.1472	2.552	64	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[3x6]	N[6,6]	H	3:3:4:1:	4:3:3:	4:	N[5,6,6]-3:N[6,6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[3x6]-4:	C[3x6](N[5,6,6]C[5,6,6]C[5,6a])(N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(H)	N[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(C[6a]C[6a]2)	H(C[3x6]N[5,6,6]C[6,6]N[6,6])	C[3x6](N[5,6,6]C[5,6,6]C[5,6a])(N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,5|C<3>}	N[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(C[6a]C[6a]2){2|C<4>,3|C<3>,5|H<1>}	H(C[3x6]N[5,6,6]C[6,6]N[6,6])	109.8660	0.000	1	109.5367	0.142	3	109.5367	0.142	3	109.5367	0.142	3	110.1472	2.552	64	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[3x6]	N[6,6]	H	3:3:4:1:	4:3:3:	4:	N[5,6,6]-3:N[6,6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[3x6]-4:	C[3x6](N[5,6,6]C[5,6,6]C[5,6a])(N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(H)	N[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(C[6a]C[6a]2)	H(C[3x6]N[5,6,6]C[6,6]N[6,6])	C[3x6](N[5,6,6]C[5,6,6]C[5,6a])(N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	N[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(C[6a]C[6a]2){2|C<4>,3|C<3>,5|H<1>}	H(C[3x6]N[5,6,6]C[6,6]N[6,6])	109.3720	0.348	2	109.5367	0.142	3	109.5367	0.142	3	109.5367	0.142	3	110.1472	2.552	64	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[3x6]	N[6,6]	H	3:4:3:1:	3:4:2:	4:	N[6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6a]-3:C[3x6]-4:O[6,6]-2:	C[3x6]-4:	C[3x6](N[6,6]O[6,6]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	N[6,6](C[6a]C[6a]N[6a])(C[3x6]C[6,6]2H)(O[6,6]C[3x6])	H(C[3x6]C[6,6]2N[6,6])	C[3x6](N[6,6]O[6,6]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	N[6,6](C[6a]C[6a]N[6a])(C[3x6]C[6,6]2H)(O[6,6]C[3x6]){2|C<4>,3|C<3>,4|H<1>}	H(C[3x6]C[6,6]2N[6,6])	110.8170	0.000	1	110.8170	0.000	1	110.8170	0.000	1	110.8170	0.000	1	110.1472	2.552	64	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[3x6]	N[6,6]	H	3:4:3:1:	4:3:4:	4:	C[6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:	C[3x6](C[6,6]N[6,6]C[6a])(C[6,6]C[6,6]HH)(N[6,6]C[6,6]C)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]HH)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]N[6,6]C[6a])(C[6,6]C[6,6]HH)(N[6,6]C[6,6]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]HH){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[3x6]C[6,6]2N[6,6])	111.9360	0.000	1	111.9360	0.000	1	111.9360	0.000	1	109.3275	13.609	2	110.1472	2.552	64	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[3x6]	N[6,6]	H	3:4:3:1:	4:3:4:	4:	N[3x6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-3:C[6]-4:	C[3x6]-4:	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H)	N[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]C[6,6]O)(C[6]C[6]HH)	H(C[3x6]C[6,6]N[3x6]N[6,6])	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H){1|N<3>,1|O<1>,5|C<4>,7|H<1>}	N[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]C[6,6]O)(C[6]C[6]HH){4|H<1>,5|C<4>}	H(C[3x6]C[6,6]N[3x6]N[6,6])	106.7190	0.000	1	106.7190	0.000	1	106.7190	0.000	1	109.3275	13.609	2	110.1472	2.552	64	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[3x6]	N[6,6]	H	3:4:3:1:	4:4:3:	4:	C[6,6,6a]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:C-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(N[6,6]C[3x6]C)(H)	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[4x6]C[6]C)(COO)	H(C[3x6]C[6,6,6a]C[6,6]N[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(N[6,6]C[3x6]C)(H){1|H<1>,2|C<3>,5|C<4>}	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[4x6]C[6]C)(COO){1|C<4>,3|C<3>,5|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]N[6,6])	108.1910	0.000	1	108.1910	0.000	1	108.1910	0.000	1	109.1030	1.663	2	110.1472	2.552	64	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[3x6]	N[6,6]	H	3:4:3:1:	4:4:3:	4:	N[6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2){1|C<4>,5|H<1>,6|C<3>}	H(C[3x6]C[6,6]2N[6,6])	110.0150	0.000	1	110.0150	0.000	1	110.0150	0.000	1	109.1030	1.663	2	110.1472	2.552	64	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[3x6]	N[6,6]	H	3:4:4:1:	4:2:3:	4:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:O[6,6]-2:C[6a]-3:	C[3x6]-4:	C[3x6](N[6,6]O[6,6]C[6a])(C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(H)	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(C[6a]C[6a]2)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](N[6,6]O[6,6]C[6a])(C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(C[6a]C[6a]2){3|C<3>,3|C<4>,5|H<1>}	H(C[3x6]C[6,6]2N[6,6])	108.5160	0.242	4	108.5160	0.059	4	108.5160	0.059	4	108.5160	0.059	4	110.1472	2.552	64	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[3x6]	N[6,6]	H	3:4:4:1:	4:3:3:	4:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:N[6,6]-3:C[6a]-3:	C[3x6]-4:	C[3x6](N[6,6]N[6,6]C[6a])(C[6,6]C[6,6]HH)2(H)	N[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](N[6,6]N[6,6]C[6a])(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	N[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2){2|C<3>,2|C<4>,7|H<1>}	H(C[3x6]C[6,6]2N[6,6])	109.4810	0.000	1	109.9025	0.355	2	109.9025	0.355	2	109.9025	0.355	2	110.1472	2.552	64	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[3x6]	N[6,6]	H	3:4:4:1:	4:3:3:	4:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:N[6,6]-3:C[6a]-3:	C[3x6]-4:	C[3x6](N[6,6]N[6,6]C[6a])(C[6,6]C[6,6]HH)2(H)	N[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](N[6,6]N[6,6]C[6a])(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	N[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2){2|C<3>,3|C<4>,6|H<1>}	H(C[3x6]C[6,6]2N[6,6])	110.3240	0.000	1	109.9025	0.355	2	109.9025	0.355	2	109.9025	0.355	2	110.1472	2.552	64	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[3x6]	N[6,6]	H	3:4:4:1:	4:3:4:	4:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[5,6]-3:C[3x6]-4:	C[3x6]-4:	C[3x6](N[6,6]C[5,6]C[6,6])(C[6,6]C[6]2H)2(H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[3x6]C[6,6]2H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](N[6,6]C[5,6]C[6,6])(C[6,6]C[6]2H)2(H){1|C<3>,1|N<3>,3|C<4>,9|H<1>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[3x6]C[6,6]2H){1|C<3>,6|H<1>,7|C<4>}	H(C[3x6]C[6,6]2N[6,6])	107.9750	0.000	1	107.9750	0.000	1	107.9750	0.000	1	107.9750	0.000	1	110.1472	2.552	64	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[3x6]	N[6,6]	H	3:4:4:1:	4:4:3:	4:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:C[6]-3:	C[3x6]-4:	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H){10|H<1>,1|C<3>,1|N<3>,2|C<4>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H){1|C<3>,4|H<1>,6|C<4>}	H(C[3x6]C[6,6]2N[6,6])	107.5725	0.101	2	107.5725	0.010	2	107.4033	0.091	3	107.5645	0.165	4	110.1472	2.552	64	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[3x6]	N[6,6]	H	3:4:4:1:	4:4:3:	4:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:C[6]-3:	C[3x6]-4:	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]O)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H){1|N<3>,1|O<1>,3|C<4>,9|H<1>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]O){6|C<4>,6|H<1>}	H(C[3x6]C[6,6]2N[6,6])	107.0650	0.000	1	107.0650	0.000	1	107.4033	0.091	3	107.5645	0.165	4	110.1472	2.552	64	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[3x6]	N[6,6]	H	3:4:4:1:	4:4:3:	4:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(H)	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2){1|C<4>,5|C<3>,7|H<1>}	H(C[3x6]C[6,6]2N[6,6])	108.0480	0.000	1	108.0480	0.000	1	108.0480	0.000	1	107.5645	0.165	4	110.1472	2.552	64	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[3x6]	N[6,6]	H	4:3:3:1:	4:2:3:	4:	C[3,6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:O[6,6]-2:C-3:	C[3x6]-4:	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[6,6]Cl)(N[6,6]O[6,6]C)(H)	N[6,6](C[3x6]C[3,6,6]C[6,6]H)(O[6,6]C[3x6])(COO)	H(C[3x6]C[3,6,6]C[6,6]N[6,6])	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(C[6,6]C[6,6]Cl)(N[6,6]O[6,6]C)(H){1|C<4>,1|O<1>,3|H<1>}	N[6,6](C[3x6]C[3,6,6]C[6,6]H)(O[6,6]C[3x6])(COO){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[3x6]C[3,6,6]C[6,6]N[6,6])	111.9790	0.000	1	111.9790	0.000	1	111.9790	0.000	1	111.3457	0.185	4	110.1472	2.552	64	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[3x6]	N[6,6]	H	4:3:3:1:	4:2:3:	4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:O[6,6]-2:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(H)	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(COO)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(H){1|C<4>,1|H<1>,1|N<2>}	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(COO){1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[6,6]2N[6,6])	111.1720	0.000	1	111.1720	0.000	1	111.1347	0.010	3	111.3457	0.185	4	110.1472	2.552	64	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[3x6]	N[6,6]	H	4:3:3:1:	4:2:3:	4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:O[6,6]-2:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(H)	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(CC[6a]O)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(H){1|C<4>,3|H<1>}	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(CC[6a]O){1|C<3>,1|C<4>,4|H<1>}	H(C[3x6]C[6,6]2N[6,6])	111.2110	0.000	1	111.2110	0.000	1	111.1347	0.010	3	111.3457	0.185	4	110.1472	2.552	64	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[3x6]	N[6,6]	H	4:3:3:1:	4:2:3:	4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:O[6,6]-2:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(H)	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(COO)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(H){1|C<4>,1|H<1>,1|O<1>}	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(COO){2|C<3>,2|H<1>,2|O<2>}	H(C[3x6]C[6,6]2N[6,6])	111.0210	0.000	1	111.0210	0.000	1	111.1347	0.010	3	111.3457	0.185	4	110.1472	2.552	64	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[3x6]	N[6,6]	H	4:3:3:1:	4:3:1:	4:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6a]S[6,6]C[5])(C[6,6]N[6,6]O)(N[6,6]C[6,6]H)(H)	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(H)	H(C[3x6]C[5,6,6]C[6,6]N[6,6])	C[3x6](C[5,6,6]C[5,6a]S[6,6]C[5])(C[6,6]N[6,6]O)(N[6,6]C[6,6]H)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>}	H(C[3x6]C[5,6,6]C[6,6]N[6,6])	109.4640	0.000	1	109.4640	0.000	1	109.4640	0.000	1	109.4640	0.000	1	110.1472	2.552	64	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[3x6]	N[6,6]	H	4:3:3:1:	4:3:4:	4:	C[6,6]-4:C[3x6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[5a]C)(C[3x6]C[3x6]C[6])(N[6,6]C[6,6]C)(H)	N[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CCHH)	H(C[3x6]C[3x6]C[6,6]N[6,6])	C[3x6](C[6,6]C[6,6]C[5a]C)(C[3x6]C[3x6]C[6])(N[6,6]C[6,6]C)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	N[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CCHH){1|H<1>,2|C<4>,3|C<3>}	H(C[3x6]C[3x6]C[6,6]N[6,6])	110.7370	0.000	1	110.7370	0.000	1	110.7370	0.000	1	110.8110	0.009	4	110.1472	2.552	64	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[3x6]	N[6,6]	H	4:3:3:1:	4:3:4:	4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]HH)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[3x6]C[6,6]2N[6,6])	110.7680	0.000	1	110.8580	0.016	2	110.8357	0.010	3	110.8110	0.009	4	110.1472	2.552	64	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[3x6]	N[6,6]	H	4:3:3:1:	4:3:4:	4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]HH)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[3x6]C[6,6]2N[6,6])	110.9480	0.000	1	110.8580	0.016	2	110.8357	0.010	3	110.8110	0.009	4	110.1472	2.552	64	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[3x6]	N[6,6]	H	4:3:3:1:	4:3:4:	4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]HH)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]N[6,6]O)(N[6,6]C[6,6]C)(H){1|O<1>,2|H<1>,4|C<4>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(CC[6a]HH){1|C<4>,1|O<1>,2|H<1>,2|N<3>}	H(C[3x6]C[6,6]2N[6,6])	110.7910	0.000	1	110.7910	0.000	1	110.8357	0.010	3	110.8110	0.009	4	110.1472	2.552	64	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[3x6]	N[6,6]	H	4:3:3:1:	4:4:3:	4:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(H)	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(COO)	H(C[3x6]C[5,6,6]C[6,6]N[6,6])	C[3x6](C[5,6,6]C[5,6a]C[6,6]C[5])(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(COO){1|C<4>,2|H<1>,3|C<3>}	H(C[3x6]C[5,6,6]C[6,6]N[6,6])	111.4930	0.000	1	111.4930	0.000	1	111.4930	0.000	1	111.2557	0.059	6	110.1472	2.552	64	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[3x6]	N[6,6]	H	4:3:3:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(H){2|C<4>,4|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO){1|C<4>,2|H<1>,3|C<3>}	H(C[3x6]C[6,6]2N[6,6])	111.2120	0.000	1	111.2120	0.000	1	111.3050	0.013	4	111.2557	0.059	6	110.1472	2.552	64	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[3x6]	N[6,6]	H	4:3:3:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H){1|C<4>,5|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO){1|H<1>,2|C<3>,3|C<4>}	H(C[3x6]C[6,6]2N[6,6])	111.3830	0.000	1	111.3830	0.000	1	111.3050	0.013	4	111.2557	0.059	6	110.1472	2.552	64	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[3x6]	N[6,6]	H	4:3:3:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CC[6a]O)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(N[6,6]C[6,6]C)(H){2|C<4>,4|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CC[6a]O){1|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]2N[6,6])	111.4190	0.000	1	111.4190	0.000	1	111.3050	0.013	4	111.2557	0.059	6	110.1472	2.552	64	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[3x6]	N[6,6]	H	4:3:3:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(N[6,6]C[6,6]C)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]O[6,6]O)(N[6,6]C[6,6]C)(H){1|C<4>,4|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[3x6]C[6,6]2N[6,6])	111.2060	0.000	1	111.2060	0.000	1	111.3050	0.013	4	111.2557	0.059	6	110.1472	2.552	64	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[3x6]	N[6,6]	H	4:3:3:1:	4:4:3:	4:	C[6,6]-4:N[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:N-3:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(N[6,6]C[3x6]N)2(H)	N[6,6](C[3x6]C[6,6]N[6,6]H)2(NOO)	H(C[3x6]C[6,6]N[6,6]2)	C[3x6](C[6,6]C[3x6]HH)(N[6,6]C[3x6]N)2(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	N[6,6](C[3x6]C[6,6]N[6,6]H)2(NOO){2|C<4>,2|N<3>,4|H<1>}	H(C[3x6]C[6,6]N[6,6]2)	110.8210	0.000	1	110.8210	0.000	1	110.8210	0.000	1	111.2557	0.059	6	110.1472	2.552	64	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[3x6]	N[6,6]	H	4:4:3:1:	3:4:4:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[3x6]-4:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(N[6,6]N[6,6]C)(H)	N[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(CC3)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]HH)2(N[6,6]N[6,6]C)(H){1|C<3>,1|C<4>,4|H<1>}	N[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(CC3){2|C<3>,2|C<4>,5|H<1>}	H(C[3x6]C[6,6]2N[6,6])	110.0160	0.023	3	110.0160	0.001	3	110.0160	0.001	3	110.0160	0.001	3	110.1472	2.552	64	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[3x6]	N[6,6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(N[6,6]C[6,6]H)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]N)(H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]HH)2(N[6,6]C[6,6]H)(H){1|C<4>,1|N<2>,4|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]N)(H){2|C<4>,5|H<1>}	H(C[3x6]C[6,6]2N[6,6])	110.4970	0.000	1	110.4970	0.000	1	110.4970	0.000	1	110.4970	0.000	1	110.1472	2.552	64	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[3x6]	N[6,6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]O)(H)	N[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(O)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]O)(H){2|H<1>,4|C<4>}	N[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(O){2|C<4>,8|H<1>}	H(C[3x6]C[6,6]2N[6,6])	110.0540	0.000	1	110.0540	0.000	1	110.0540	0.000	1	110.0540	0.000	1	110.1472	2.552	64	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[3x6]	N[6,6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(N[6,6]C[3x6]C)(H)	N[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)(CHO)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[3x6]HH)(C[6,6]C[3x6]HO)(N[6,6]C[3x6]C)(H){2|C<4>,2|H<1>,2|O<2>}	N[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)(CHO){1|O<2>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]2N[6,6])	110.8210	0.262	2	110.8210	0.068	2	110.7108	0.133	6	110.4494	0.205	10	110.1472	2.552	64	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[3x6]	N[6,6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]C)(H)	N[6,6](C[3x6]C[6,6]2H)2(CCO)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]C)(H){1|N<3>,2|C<4>,3|H<1>}	N[6,6](C[3x6]C[6,6]2H)2(CCO){2|C<4>,8|H<1>}	H(C[3x6]C[6,6]2N[6,6])	110.0150	0.000	1	110.0150	0.000	1	110.7108	0.133	6	110.4494	0.205	10	110.1472	2.552	64	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[3x6]	N[6,6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[4x6]HH)(N[6,6]C[3x6]C)(H)	N[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)(CHO)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[3x6]HO)(C[6,6]C[4x6]HH)(N[6,6]C[3x6]C)(H){2|C<4>,2|H<1>,2|O<2>}	N[6,6](C[3x6]C[6,6]2H)(C[3x6]O[6,6]2H)(CHO){1|O<2>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]2N[6,6])	110.8693	0.079	3	110.8693	0.006	3	110.7108	0.133	6	110.4494	0.205	10	110.1472	2.552	64	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[3x6]	N[6,6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CHO)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CHO){1|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[6,6]2N[6,6])	109.9560	0.000	1	109.9560	0.000	1	110.0572	0.052	4	110.4494	0.205	10	110.1472	2.552	64	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[3x6]	N[6,6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(N[6,6]C[6,6]C)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCO)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCO){1|C<4>,1|N<3>,5|H<1>}	H(C[3x6]C[6,6]2N[6,6])	109.9290	0.000	1	109.9290	0.000	1	110.0572	0.052	4	110.4494	0.205	10	110.1472	2.552	64	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[3x6]	N[6,6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HO)2(N[6,6]C[6,6]C)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]HO)2(N[6,6]C[6,6]C)(H){1|C<4>,6|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO){2|C<4>,2|O<2>,3|H<1>}	H(C[3x6]C[6,6]2N[6,6])	110.3980	0.000	1	110.3980	0.000	1	110.0572	0.052	4	110.4494	0.205	10	110.1472	2.552	64	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[3x6]	N[6,6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]N[6,6]HH)(N[6,6]C[6,6]C)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCO)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]N[6,6]HH)(N[6,6]C[6,6]C)(H){1|C<3>,3|C<4>,4|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCO){1|C<4>,2|N<3>,4|H<1>}	H(C[3x6]C[6,6]2N[6,6])	109.9460	0.000	1	109.9460	0.000	1	110.0572	0.052	4	110.4494	0.205	10	110.1472	2.552	64	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[3x6]	N[6]	H	3:3:4:1:	4:3:3:	4:	N[6,6]-3:N[6]-3:C[5x6]-4:H-1:	C[3x6]-4:C[6,6]-3:C[6a]-3:	C[3x6]-4:	C[3x6](N[6,6]C[4,3x6]C)(N[6]C[6,6]C[6a])(C[5x6]C[4x6]2N)(H)	N[6](C[3x6]C[5x6]N[6,6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	H(C[3x6]C[5x6]N[6,6]N[6])	C[3x6](N[6,6]C[4,3x6]C)(N[6]C[6,6]C[6a])(C[5x6]C[4x6]2N)(H){3|C<4>,3|H<1>,4|C<3>}	N[6](C[3x6]C[5x6]N[6,6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|N<3>,3|C<3>,4|H<1>,5|C<4>}	H(C[3x6]C[5x6]N[6,6]N[6])	108.6275	0.036	2	108.6275	0.001	2	108.6275	0.001	2	108.6275	0.001	2	108.4623	0.082	3	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[3x6]	N[6]	H	4:3:3:1:	4:3:4:	4:	C[5x6]-4:C[6,6]-3:N[6]-3:H-1:	C[3x6]-4:C[6]-3:C-4:	C[3x6]-4:	C[3x6](C[5x6]C[5,6,6]C[4x6]C[6])(C[6,6]C[3x6]C)(N[6]C[6]C)(H)	N[6](C[3x6]C[5x6]C[6,6]H)(C[6]C[6,6]O)(CCHH)	H(C[3x6]C[5x6]C[6,6]N[6])	C[3x6](C[5x6]C[5,6,6]C[4x6]C[6])(C[6,6]C[3x6]C)(N[6]C[6]C)(H){1|O<1>,2|O<2>,3|H<1>,5|C<4>}	N[6](C[3x6]C[5x6]C[6,6]H)(C[6]C[6,6]O)(CCHH){1|C<3>,6|C<4>}	H(C[3x6]C[5x6]C[6,6]N[6])	108.1320	0.000	1	108.1320	0.000	1	108.1320	0.000	1	108.1320	0.000	1	108.4623	0.082	3	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:3:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)(C[6,6]N[3x6]H)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,7|H<1>}	N[3x6](C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)(C[6,6]N[3x6]H){1|Pd<4>,3|C<4>}	H(C[6,6]N[3x6]2H)	112.5165	3.109	4	112.5165	9.665	4	112.5165	9.665	4	112.5165	9.665	4	109.4409	1.636	66	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[3x6]	H	3:4:1:1:	6:4:3:	4:	N[3x6]-3:C[3x6]-4:H-1:H-1:	Ga[6x6]-6:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](N[3x6]Ga[6x6]C[6])(C[3x6]C[6,6]2C)(H)2	N[3x6](Ga[6x6]N[3x6]2O[6]3)(C[6,6]C[3x6]HH)(C[6]C[6,6a]H)	H(C[6,6]C[3x6]N[3x6]H)	C[6,6](N[3x6]Ga[6x6]C[6])(C[3x6]C[6,6]2C)(H)2{1|C<3>,2|N<3>,3|O<2>,5|H<1>}	N[3x6](Ga[6x6]N[3x6]2O[6]3)(C[6,6]C[3x6]HH)(C[6]C[6,6a]H){3|C<4>,6|C<3>}	H(C[6,6]C[3x6]N[3x6]H)	109.5037	0.019	3	109.5037	0.000	3	109.5037	0.000	3	109.3490	0.046	5	109.4409	1.636	66	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[3x6]	H	3:4:1:1:	6:4:3:	4:	N[3x6]-3:C[3x6]-4:H-1:H-1:	In[6x6]-6:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](N[3x6]In[6x6]C[6])(C[3x6]C[6,6]2C)(H)2	N[3x6](In[6x6]N[3x6]2O[6]3)(C[6,6]C[3x6]HH)(C[6]C[6,6a]H)	H(C[6,6]C[3x6]N[3x6]H)	C[6,6](N[3x6]In[6x6]C[6])(C[3x6]C[6,6]2C)(H)2{1|C<3>,2|N<3>,3|O<2>,5|H<1>}	N[3x6](In[6x6]N[3x6]2O[6]3)(C[6,6]C[3x6]HH)(C[6]C[6,6a]H){3|C<4>,6|C<3>}	H(C[6,6]C[3x6]N[3x6]H)	109.1170	0.061	2	109.1170	0.004	2	109.1170	0.004	2	109.3490	0.046	5	109.4409	1.636	66	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[3x6]	H	3:4:4:1:	3:3:4:	4:	N[3x6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-3:C[6,6]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H)	N[3x6](C[6,6]C[6]N[6])2(C[6,6]C[6]2H)	H(C[6,6]N[3x6]C[6]2)	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H){2|C<3>,2|N<4>,4|H<1>}	N[3x6](C[6,6]C[6]N[6])2(C[6,6]C[6]2H){1|C<3>,6|C<4>,6|H<1>}	H(C[6,6]N[3x6]C[6]2)	107.8330	0.000	1	107.8330	0.000	1	107.8330	0.000	1	107.8330	0.000	1	109.4409	1.636	66	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:3:	4:	C[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]O)	H(C[6,6]C[3x6]N[3x6]H)	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{1|O<1>,2|C<4>,6|H<1>}	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]O){2|H<1>,4|C<4>}	H(C[6,6]C[3x6]N[3x6]H)	109.2510	0.000	1	109.2510	0.000	1	109.2510	0.000	1	109.2581	0.633	56	109.4409	1.636	66	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|C<3>,2|C<4>,3|H<1>}	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C){1|C<4>,1|O<2>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.1969	0.088	11	109.2292	0.008	51	109.2292	0.008	51	109.2581	0.633	56	109.4409	1.636	66	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C){1|C<4>,1|N<2>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.2183	0.018	3	109.2292	0.008	51	109.2292	0.008	51	109.2581	0.633	56	109.4409	1.636	66	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C){1|C<4>,1|O<1>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.2397	0.090	37	109.2292	0.008	51	109.2292	0.008	51	109.2581	0.633	56	109.4409	1.636	66	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:3:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Pd)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)(C[6,6]N[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Pd)(N[3x6]C[6,6]2)(H)2{2|N<3>,7|H<1>}	N[3x6](C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)(C[6,6]N[3x6]H){1|Pd<4>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	109.6287	3.359	4	109.6287	11.280	4	109.6287	11.280	4	109.2581	0.633	56	109.4409	1.636	66	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:1:1:	3:4:4:	4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[5a,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[5a,6]C[6])2(H)2	N[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]N[6,6]HH)(C[6]C[5a,6]HH)	H(C[6,6]N[6,6]2H)	C[6,6](N[6,6]C[5a,6]C[6])2(H)2{2|C<3>,2|N<3>,4|H<1>}	N[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]N[6,6]HH)(C[6]C[5a,6]HH){1|C<4>,1|N<2>,4|C<3>}	H(C[6,6]N[6,6]2H)	108.9447	0.038	3	108.9447	0.001	3	108.9447	0.001	3	109.0908	1.562	151	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:1:1:	3:4:4:	4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6,6a]2)(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	H(C[6,6]N[6,6]2H)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	N[6,6](C[6,6a]C[6,6a]2)(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){2|C<4>,4|C<3>}	H(C[6,6]N[6,6]2H)	108.7706	0.093	18	108.7706	0.009	18	109.0938	1.594	148	109.0908	1.562	151	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:1:1:	3:4:4:	4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]CH)	H(C[6,6]N[6,6]2H)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{2|C<4>,2|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]CH){1|C<4>,1|H<1>,4|C<3>}	H(C[6,6]N[6,6]2H)	109.1620	0.044	2	109.1620	0.002	2	109.0938	1.594	148	109.0908	1.562	151	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:1:1:	3:4:4:	4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	H(C[6,6]N[6,6]2H)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|Br<1>,1|C<4>,4|C<3>}	H(C[6,6]N[6,6]2H)	109.1640	0.048	11	109.1429	1.845	126	109.0938	1.594	148	109.0908	1.562	151	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:1:1:	3:4:4:	4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	H(C[6,6]N[6,6]2H)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|F<1>,4|C<3>}	H(C[6,6]N[6,6]2H)	106.8095	0.919	2	109.1429	1.845	126	109.0938	1.594	148	109.0908	1.562	151	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:1:1:	3:4:4:	4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	H(C[6,6]N[6,6]2H)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	H(C[6,6]N[6,6]2H)	109.1389	1.566	79	109.1429	1.845	126	109.0938	1.594	148	109.0908	1.562	151	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:1:1:	3:4:4:	4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	H(C[6,6]N[6,6]2H)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|N<3>,4|C<3>}	H(C[6,6]N[6,6]2H)	109.3458	1.076	24	109.1429	1.845	126	109.0938	1.594	148	109.0908	1.562	151	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:1:1:	3:4:4:	4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	H(C[6,6]N[6,6]2H)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|S<3>,4|C<3>}	H(C[6,6]N[6,6]2H)	109.1199	0.055	7	109.1429	1.845	126	109.0938	1.594	148	109.0908	1.562	151	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:1:1:	3:4:4:	4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	H(C[6,6]N[6,6]2H)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|Se<2>,1|C<4>,4|C<3>}	H(C[6,6]N[6,6]2H)	109.1557	0.018	3	109.1429	1.845	126	109.0938	1.594	148	109.0908	1.562	151	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:1:1:	3:4:4:	4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	H(C[6,6]N[6,6]2H)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	N[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,5|C<3>}	H(C[6,6]N[6,6]2H)	108.8375	1.107	2	108.8375	1.225	2	109.0938	1.594	148	109.0908	1.562	151	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:1:1:	4:3:3:	4:	N[6,6]-3:P[3x6]-3:H-1:H-1:	C[6,6]-4:P[3x6]-3:C[6a]-3:	C[6,6]-4:	C[6,6](N[6,6]P[3x6]C[6a])(P[3x6]C[6,6]2)(H)2	N[6,6](C[6,6]P[3x6]HH)(P[3x6]N[6,6]2)(C[6a]C[6a]2)	H(C[6,6]N[6,6]P[3x6]H)	C[6,6](N[6,6]P[3x6]C[6a])(P[3x6]C[6,6]2)(H)2{2|C<3>,2|N<3>,4|H<1>}	N[6,6](C[6,6]P[3x6]HH)(P[3x6]N[6,6]2)(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	H(C[6,6]N[6,6]P[3x6]H)	109.2438	0.040	6	109.2438	0.002	6	109.2438	0.002	6	109.2438	0.002	6	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:2:1:	3:3:4:	4:	N[6,6]-3:C[6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]2)(C[6]C[6]H)(O[6]C[6])(H)	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]O[6]H)	H(C[6,6]N[6,6]C[6]O[6])	C[6,6](N[6,6]C[6,6a]2)(C[6]C[6]H)(O[6]C[6])(H){2|H<1>,5|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]O[6]H){1|C<4>,3|H<1>,5|C<3>}	H(C[6,6]N[6,6]C[6]O[6])	108.5430	0.000	1	108.5430	0.000	1	108.5430	0.000	1	108.5430	0.000	1	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:2:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(O[6]C[6])(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]H)(C[6]C[6a]C[6])	H(C[6,6]C[6,6a]N[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(O[6]C[6])(H){3|H<1>,6|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]H)(C[6]C[6a]C[6]){1|C<4>,2|H<1>,6|C<3>}	H(C[6,6]C[6,6a]N[6,6]O[6])	108.6940	0.000	1	108.6940	0.000	1	108.6940	0.000	1	108.1630	1.006	3	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:2:1:	3:4:3:	4:	N[6,6]-3:C[6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(O[6]C[6])(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6a]C[6])	H(C[6,6]N[6,6]C[6]O[6])	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(O[6]C[6])(H){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6a]C[6]){1|C<4>,2|H<1>,6|C<3>}	H(C[6,6]N[6,6]C[6]O[6])	107.0060	0.000	1	107.8975	1.590	2	107.8975	1.590	2	108.1630	1.006	3	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:2:1:	3:4:3:	4:	N[6,6]-3:C[6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(O[6]C[6])(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6a]C[6])	H(C[6,6]N[6,6]C[6]O[6])	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6a]C[6]){1|C<4>,3|H<1>,5|C<3>}	H(C[6,6]N[6,6]C[6]O[6])	108.7890	0.000	1	107.8975	1.590	2	107.8975	1.590	2	108.1630	1.006	3	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:2:1:	3:4:4:	4:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(O[6]C[6])(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6a]N[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(O[6]C[6])(H){1|C<4>,4|C<3>,5|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]H)(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6a]N[6,6]O[6])	107.7840	0.000	1	107.7840	0.000	1	107.7840	0.000	1	107.7840	0.000	1	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:2:1:	4:3:4:	4:	N[6]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:	C[6,6](N[6]C[6,6a]C)(N[6,6]C[6]2)(O[6]C[5,6])(H)	N[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	H(C[6,6]N[6,6]N[6]O[6])	C[6,6](N[6]C[6,6a]C)(N[6,6]C[6]2)(O[6]C[5,6])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]N[6,6]N[6]O[6])	108.6330	0.000	1	108.6330	0.000	1	108.6330	0.000	1	108.6330	0.000	1	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:2:1:	4:4:3:	4:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6a])(O[6]C[6,6a])(H)	N[6,6](C[6,6]C[6,6a]O[6]H)2(C[6a]N[6a]2)	H(C[6,6]C[6,6a]N[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6a])(O[6]C[6,6a])(H){1|O<2>,2|H<1>,2|N<2>,4|C<3>}	N[6,6](C[6,6]C[6,6a]O[6]H)2(C[6a]N[6a]2){6|C<3>}	H(C[6,6]C[6,6a]N[6,6]O[6])	108.8275	0.066	2	108.8275	0.004	2	108.8275	0.004	2	108.1270	0.564	5	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:2:1:	4:4:3:	4:	N[6,6]-3:C[6]-3:S[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]N[6]O)(S[6]C[6])(H)	N[6,6](C[6,6]C[6]S[6]H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6,6]N[6,6]C[6]S[6])	C[6,6](N[6,6]C[6]2)(C[6]N[6]O)(S[6]C[6])(H){1|O<1>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[6]S[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6,6]N[6,6]C[6]S[6])	107.6600	0.555	3	107.6600	0.308	3	107.6600	0.308	3	108.1270	0.564	5	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:3:1:	3:3:4:	4:	N[6,6]-3:C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(C[6]N[6]C)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6,6]C[6]2H)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(C[6]N[6]C)(H){1|H<1>,1|S<4>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6,6]C[6]2H){1|N<3>,3|H<1>,6|C<3>}	H(C[6,6]N[6,6]C[6]2)	105.0255	1.074	2	105.0255	1.154	2	105.0255	1.154	2	105.0255	1.154	2	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[3]N[6])	H(C[6,6]C[6,6a]N[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[3]N[6]){2|C<4>,3|H<1>,5|C<3>}	H(C[6,6]C[6,6a]N[6,6]N[6])	108.7960	0.000	1	108.7960	0.000	1	108.4415	0.251	2	108.4415	0.251	2	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]N)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6])	H(C[6,6]C[6,6a]N[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]N)(H){1|H<1>,1|O<1>,6|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6]){1|H<1>,1|I<1>,1|N<3>,7|C<3>}	H(C[6,6]C[6,6a]N[6,6]N[6])	108.0870	0.000	1	108.0870	0.000	1	108.4415	0.251	2	108.4415	0.251	2	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:3:1:	3:4:4:	4:	C[5a,6]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6a]C[6])(N[6]C[6]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]N[6]H)(C[6]C[6]HH)	H(C[6,6]C[5a,6]N[6,6]N[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6a]C[6])(N[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]N[6]H)(C[6]C[6]HH){1|N<3>,4|C<3>,4|H<1>}	H(C[6,6]C[5a,6]N[6,6]N[6])	108.1190	0.000	1	108.1190	0.000	1	108.1190	0.000	1	107.4360	0.449	6	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:3:1:	3:4:4:	4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6a]N[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH){1|C<4>,3|H<1>,5|C<3>}	H(C[6,6]C[6,6a]N[6,6]N[6])	107.2010	0.544	2	107.3237	0.193	3	107.2994	0.421	5	107.4360	0.449	6	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:3:1:	3:4:4:	4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6a]N[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(H){1|C<4>,4|C<3>,5|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH){2|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6a]N[6,6]N[6])	107.5690	0.000	1	107.3237	0.193	3	107.2994	0.421	5	107.4360	0.449	6	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:3:1:	3:4:4:	4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]N[6])(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6a]N[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]N[6])(H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH){1|N<3>,3|H<1>,5|C<3>}	H(C[6,6]C[6,6a]N[6,6]N[6])	108.0670	0.000	1	108.0670	0.000	1	107.2994	0.421	5	107.4360	0.449	6	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:3:1:	3:4:4:	4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]S[6]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6a]N[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]S[6]H)(H){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH){1|S<4>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6a]N[6,6]N[6])	106.4590	0.000	1	106.4590	0.000	1	107.2994	0.421	5	107.4360	0.449	6	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:H-1:	C[6,6]-4:C[6a]-3:P[6,6]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[6,6]P[6,6]C[6a])(H)	N[6,6](C[6,6]C[6,6a]2H)(C[6a]C[6a]2)(P[6,6]O[6]2)	H(C[6,6]C[6,6a]2N[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[6,6]P[6,6]C[6a])(H){2|H<1>,2|O<2>,6|C<3>}	N[6,6](C[6,6]C[6,6a]2H)(C[6a]C[6a]2)(P[6,6]O[6]2){2|H<1>,6|C<3>}	H(C[6,6]C[6,6a]2N[6,6])	108.6720	0.000	1	108.6720	0.000	1	108.6720	0.000	1	108.1792	1.046	5	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]C)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]N[6]N)(C[6]N[6]S)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<2>,1|S<1>,2|C<3>,2|N<3>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]N[6]N)(C[6]N[6]S){1|H<1>,4|C<3>}	H(C[6,6]C[6,6a]N[6,6]C[6])	108.1470	0.000	1	108.1470	0.000	1	108.1470	0.000	1	108.1792	1.046	5	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6]H)(H)	N[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6])(C[6]C[6]H)	H(C[6,6]C[6,6a]N[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6]H)(H){1|O<1>,2|H<1>,5|C<3>}	N[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6])(C[6]C[6]H){3|H<1>,5|C<3>}	H(C[6,6]C[6,6a]N[6,6]N[6])	107.9900	0.000	1	107.9900	0.000	1	107.9900	0.000	1	108.1792	1.046	5	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:3:1:	4:3:3:	4:	N[5,6]-3:N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[5,6]-3:C[6]-3:	C[6,6]-4:	C[6,6](N[5,6]C[5,6]C[5])(N[6,6]C[5,6]C[6])(C[6]C[6]H)(H)	N[6,6](C[6,6]N[5,6]C[6]H)(C[5,6]N[5,6]N[5])(C[6]C[6]H)	H(C[6,6]N[5,6]N[6,6]C[6])	C[6,6](N[5,6]C[5,6]C[5])(N[6,6]C[5,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>,2|N<3>,4|H<1>}	N[6,6](C[6,6]N[5,6]C[6]H)(C[5,6]N[5,6]N[5])(C[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]N[5,6]N[6,6]C[6])	109.4340	0.000	1	109.4340	0.000	1	109.4340	0.000	1	108.1792	1.046	5	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:3:1:	4:3:3:	4:	N[5,6]-3:N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](N[5,6]C[5,6]S[5])(N[6,6]C[6]2)(C[6]C[6]H)(H)	N[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H)	H(C[6,6]N[5,6]N[6,6]C[6])	C[6,6](N[5,6]C[5,6]S[5])(N[6,6]C[6]2)(C[6]C[6]H)(H){2|H<1>,2|O<1>,6|C<3>}	N[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6,6]N[5,6]N[6,6]C[6])	106.6530	0.000	1	106.6530	0.000	1	106.6530	0.000	1	108.1792	1.046	5	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:3:1:	4:4:1:	4:	N[6,6]-3:N[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]H)(N[6]C[6a]N[6])(C[6]N[6]C)(H)	N[6,6](C[6,6]C[6]N[6]H)2(H)	H(C[6,6]N[6,6]C[6]N[6])	C[6,6](N[6,6]C[6,6]H)(N[6]C[6a]N[6])(C[6]N[6]C)(H){1|H<1>,1|N<3>,3|C<3>}	N[6,6](C[6,6]C[6]N[6]H)2(H){2|N<2>,4|C<3>}	H(C[6,6]N[6,6]C[6]N[6])	109.7768	0.215	6	109.7768	0.046	6	109.7768	0.046	6	109.7768	0.046	6	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:3:1:	4:4:3:	4:	C[6,6a]-3:N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(C[6]N[6]O)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2H)(COO)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(C[6]N[6]O)(H){2|C<3>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2H)(COO){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	110.1790	0.000	1	110.1790	0.000	1	110.1790	0.000	1	107.9287	3.932	3	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:3:1:	4:4:3:	4:	C[6,6a]-3:N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]C)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(C[6]C[6]H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|C<2>,2|H<1>,3|C<3>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(C[6]C[6]H){3|H<1>,4|C<3>}	H(C[6,6]C[6,6a]N[6,6]C[6])	107.1700	0.000	1	107.1700	0.000	1	107.1700	0.000	1	107.9287	3.932	3	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:3:1:	4:4:3:	4:	C[6,6a]-3:N[6,6]-3:N[6,6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(N[6,6]C[6]2)(H)	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6,6]C[6,6a]N[6,6]2)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(N[6,6]C[6]2)(H){1|O<1>,3|C<3>,3|C<4>,6|H<1>}	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6a]N[6,6]2)	106.4370	0.000	1	106.4370	0.000	1	106.4370	0.000	1	107.9287	3.932	3	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:4:1:	3:4:4:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6]C[6]CH)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6]C[6]CH)(H){1|C<4>,4|C<3>,5|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	H(C[6,6]C[6,6a]N[6,6]C[6])	104.7050	0.690	2	104.7050	0.476	2	104.7050	0.476	2	104.7050	0.476	2	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:4:1:	4:3:3:	4:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]N[6])(C[6]C[3x6]O)	H(C[6,6]N[6,6]2C[6])	C[6,6](N[6,6]C[6,6]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|N<2>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]N[6])(C[6]C[3x6]O){2|C<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[6,6]N[6,6]2C[6])	109.2655	0.108	2	109.2655	0.012	2	109.2655	0.012	2	109.2655	0.012	2	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:4:1:	4:3:4:	4:	C[6,6a]-3:N[6,6]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6,6]C[6]3)(H)	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6,6]C[6,6a]C[6,6]N[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6,6]C[6]3)(H){1|C<4>,1|O<2>,2|O<1>,5|C<3>,5|H<1>}	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,3|H<1>,6|C<3>}	H(C[6,6]C[6,6a]C[6,6]N[6,6])	106.6770	0.000	1	106.6770	0.000	1	106.6770	0.000	1	107.6303	0.891	8	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:4:1:	4:3:4:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HN)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HN)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	108.2445	0.688	2	108.2445	0.473	2	108.2445	0.473	2	107.6303	0.891	8	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:4:1:	4:3:4:	4:	C[6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[6]N[6,6]O)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]HH)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]N[6,6]O)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.4210	0.000	1	107.4210	0.000	1	107.6300	0.122	3	107.6303	0.891	8	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:4:1:	4:3:4:	4:	C[6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[6]N[6,6]O)(N[6,6]C[6]2)(C[6]C[6]HO)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]HH)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]N[6,6]O)(N[6,6]C[6]2)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.7345	0.424	2	107.7345	0.179	2	107.6300	0.122	3	107.6303	0.891	8	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:4:1:	4:3:4:	4:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[5,6]-3:C[3x6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[3x6]C[5,6])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[3x6]C[6,6]2H)	H(C[6,6]N[6,6]2C[6])	C[6,6](N[6,6]C[3x6]C[5,6])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[3x6]C[6,6]2H){1|C<3>,6|H<1>,7|C<4>}	H(C[6,6]N[6,6]2C[6])	108.8740	0.000	1	108.8740	0.000	1	108.8740	0.000	1	107.6303	0.891	8	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:4:1:	4:3:4:	4:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6,6a]-3:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6,6a]C[6])(N[6,6]C[6]S[6])(C[6]C[6]HH)(H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]CH)	H(C[6,6]N[6,6]2C[6])	C[6,6](N[6,6]C[6,6,6a]C[6])(N[6,6]C[6]S[6])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]CH){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	H(C[6,6]N[6,6]2C[6])	106.1120	0.000	1	106.1120	0.000	1	106.1120	0.000	1	107.6303	0.891	8	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:3:	4:	C[5,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]N[5])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)	H(C[6,6]C[5,6]N[6,6]C[6])	C[6,6](C[5,6]C[5,6]N[5])(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(C[6,6]C[5,6]N[6,6]C[6])	107.1490	0.000	1	107.1490	0.000	1	107.1490	0.000	1	107.8098	1.077	36	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:3:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	106.6575	0.494	2	106.5223	0.177	3	107.7214	2.140	14	107.8098	1.077	36	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:3:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	106.2520	0.000	1	106.5223	0.177	3	107.7214	2.140	14	107.8098	1.077	36	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:3:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	105.2270	0.000	1	105.2270	0.000	1	107.7214	2.140	14	107.8098	1.077	36	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:3:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CO)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CO)(H){1|O<1>,1|S<4>,2|C<3>,2|C<4>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	108.3810	0.000	1	108.3810	0.000	1	107.7214	2.140	14	107.8098	1.077	36	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:3:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,3|C<3>,4|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	108.4865	0.432	2	108.1290	2.866	4	107.7214	2.140	14	107.8098	1.077	36	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:3:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	107.7715	2.811	2	108.1290	2.866	4	107.7214	2.140	14	107.8098	1.077	36	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:3:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,2|C<3>,5|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	109.3870	0.000	1	108.8410	1.581	3	107.7214	2.140	14	107.8098	1.077	36	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:3:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	107.4030	0.000	1	108.8410	1.581	3	107.7214	2.140	14	107.8098	1.077	36	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:3:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	109.7330	0.000	1	108.8410	1.581	3	107.7214	2.140	14	107.8098	1.077	36	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:3:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HO)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HO)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	107.9430	0.458	2	107.9430	0.210	2	107.7214	2.140	14	107.8098	1.077	36	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:3:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	107.3370	0.000	1	107.3370	0.000	1	107.8799	0.297	12	107.8098	1.077	36	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:3:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	107.5885	0.436	2	107.5885	0.190	2	107.8799	0.297	12	107.8098	1.077	36	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:3:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	108.5750	0.000	1	108.1115	0.430	2	107.8799	0.297	12	107.8098	1.077	36	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:3:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	107.6480	0.000	1	108.1115	0.430	2	107.8799	0.297	12	107.8098	1.077	36	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:3:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HO)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HO)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	106.9500	0.000	1	106.9500	0.000	1	107.8799	0.297	12	107.8098	1.077	36	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:3:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]N[6]HH)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]N[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,2|C<3>,6|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	108.2020	0.000	1	108.2598	0.098	5	107.8799	0.297	12	107.8098	1.077	36	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:3:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]N[6]HH)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]N[6]HH)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,2|C<3>,6|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	108.2742	0.360	4	108.2598	0.098	5	107.8799	0.297	12	107.8098	1.077	36	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:3:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]O[6]CH)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]O[6]CH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	107.5730	0.000	1	107.5730	0.000	1	107.8799	0.297	12	107.8098	1.077	36	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:3:	4:	C[6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]S[6]S)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|S<1>,1|S<2>,3|H<1>,4|C<3>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]S[6]S){1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]N[6,6]C[6]2)	106.6010	0.000	1	106.6010	0.000	1	107.2015	0.721	2	107.8098	1.077	36	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:3:	4:	C[6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6])(N[6,6]C[6]2)(C[6]C[6]HO)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6])(N[6,6]C[6]2)(C[6]C[6]HO)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.8020	0.000	1	107.8020	0.000	1	107.2015	0.721	2	107.8098	1.077	36	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:3:	4:	C[6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6]N[6,6]O)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6,6]O)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]N[6,6]O)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6,6]O){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.5660	0.000	1	107.5660	0.000	1	107.5660	0.000	1	107.8098	1.077	36	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:3:	4:	N[6,6]-3:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[5,6]N)(C[6]C[6]HH)(H)	N[6,6](C[6,6]N[5,6]C[6]H)(C[6,6]C[6]2H)(C[6a]C[6a]2)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[5,6]N)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	N[6,6](C[6,6]N[5,6]C[6]H)(C[6,6]C[6]2H)(C[6a]C[6a]2){1|N<3>,2|C<4>,3|C<3>,6|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.2970	0.000	1	108.2970	0.000	1	108.2970	0.000	1	107.8098	1.077	36	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:3:	4:	N[6,6]-3:N[5,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	N[6,6](C[6,6]N[5,6]C[6]H)(C[6,6]C[6]2H)(C[6a]C[6a]2)	H(C[6,6]N[5,6]N[6,6]C[6])	C[6,6](N[6,6]C[6,6]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	N[6,6](C[6,6]N[5,6]C[6]H)(C[6,6]C[6]2H)(C[6a]C[6a]2){1|N<3>,2|C<4>,3|C<3>,6|H<1>}	H(C[6,6]N[5,6]N[6,6]C[6])	108.8850	0.000	1	108.8850	0.000	1	108.8850	0.000	1	107.8098	1.077	36	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:3:	4:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[3x6]-4:C[6]-3:	C[6,6]-4:	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H)	H(C[6,6]N[6,6]2C[6])	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H){1|C<3>,4|H<1>,6|C<4>}	H(C[6,6]N[6,6]2C[6])	107.9995	0.057	2	107.9995	0.003	2	107.6343	0.402	3	107.8098	1.077	36	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:3:	4:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[3x6]-4:C[6]-3:	C[6,6]-4:	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]O)	H(C[6,6]N[6,6]2C[6])	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,7|H<1>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]O){6|C<4>,6|H<1>}	H(C[6,6]N[6,6]2C[6])	106.9040	0.000	1	106.9040	0.000	1	107.6343	0.402	3	107.8098	1.077	36	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:3:	4:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6a]C[6a]2)	H(C[6,6]N[6,6]2C[6])	C[6,6](N[6,6]C[6,6]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|N<2>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6a]C[6a]2){1|C<4>,4|C<3>,6|H<1>}	H(C[6,6]N[6,6]2C[6])	109.2920	0.000	1	109.2920	0.000	1	109.2920	0.000	1	107.8098	1.077	36	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]2C)(H)2	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)	H(C[6,6]C[6,6]N[6,6]H)	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]2C)(H)2{1|C<3>,1|C<4>,1|N<2>,6|H<1>}	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]N[6,6]H)	109.3690	0.030	2	109.3690	0.001	2	109.3690	0.001	2	109.3690	0.001	2	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:4:1:1:	4:3:3:	4:	N[6,6]-3:P[3x6]-4:H-1:H-1:	C[6,6]-4:P[3x6]-3:C[6a]-3:	C[6,6]-4:	C[6,6](N[6,6]P[3x6]C[6a])(P[3x6]C[6,6]2Mo)(H)2	N[6,6](C[6,6]P[3x6]HH)(P[3x6]N[6,6]2)(C[6a]C[6a]2)	H(C[6,6]N[6,6]P[3x6]H)	C[6,6](N[6,6]P[3x6]C[6a])(P[3x6]C[6,6]2Mo)(H)2{2|C<3>,2|N<3>,4|H<1>}	N[6,6](C[6,6]P[3x6]HH)(P[3x6]N[6,6]2)(C[6a]C[6a]2){1|Mo<6>,2|C<4>,2|H<1>,4|C<3>}	H(C[6,6]N[6,6]P[3x6]H)	109.1264	0.223	14	109.1264	0.050	14	109.1264	0.050	14	109.1264	0.050	14	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:4:1:1:	4:4:3:	4:	N[6,6]-3:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](N[6,6]C[5,3x6]C)(C[3x6]C[6,6]2H)(H)2	N[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]HH)(COO)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](N[6,6]C[5,3x6]C)(C[3x6]C[6,6]2H)(H)2{1|Br<1>,2|C<4>,4|H<1>}	N[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]HH)(COO){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]N[6,6]H)	110.4670	0.024	2	110.4830	0.001	4	110.4830	0.001	4	110.4830	0.001	4	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:4:1:1:	4:4:3:	4:	N[6,6]-3:C[3x6]-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](N[6,6]C[5,3x6]C)(C[3x6]C[6,6]2H)(H)2	N[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]HH)(COO)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](N[6,6]C[5,3x6]C)(C[3x6]C[6,6]2H)(H)2{1|Br<1>,2|C<4>,4|H<1>}	N[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]HH)(COO){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]N[6,6]H)	110.4990	0.007	2	110.4830	0.001	4	110.4830	0.001	4	110.4830	0.001	4	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:4:2:1:	3:4:3:	4:	N[6,6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]2S[6])(O[6]C[6,6a])(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[6,6a]O)	H(C[6,6]C[6,6]N[6,6]O[6])	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]2S[6])(O[6]C[6,6a])(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[6,6a]O){1|H<1>,1|S<2>,2|C<4>,4|C<3>}	H(C[6,6]C[6,6]N[6,6]O[6])	108.0335	0.022	2	108.0335	0.000	2	108.0335	0.000	2	108.3227	0.251	3	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:4:2:1:	3:4:3:	4:	N[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6])(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]O)	H(C[6,6]N[6,6]C[6]O[6])	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	H(C[6,6]N[6,6]C[6]O[6])	108.9010	0.000	1	108.9010	0.000	1	108.9010	0.000	1	108.3227	0.251	3	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:4:2:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:N[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[6]HH)(N[6]C[6,6])(H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6a]C[6a]2)	H(C[6,6]N[6,6]C[6]N[6])	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[6]HH)(N[6]C[6,6])(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6a]C[6a]2){1|C<4>,4|C<3>,6|H<1>}	H(C[6,6]N[6,6]C[6]N[6])	107.8200	0.000	1	107.8200	0.000	1	107.8200	0.000	1	107.8200	0.000	1	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(N[6,6]C[6]2)(H)	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]H)(C[6]C[6]O)	H(C[6,6]C[6,6a]C[5,6]N[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(N[6,6]C[6]2)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6a]C[5,6]N[6,6])	107.2550	0.000	1	107.2550	0.000	1	107.2550	0.000	1	108.8660	5.191	2	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:4:3:1:	4:3:3:	4:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:N[6,6]-3:C-3:	C[6,6]-4:	C[6,6](N[6,6]N[6,6]C)(C[6]O[6]HH)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(CNO)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]N[6,6]C)(C[6]O[6]HH)(C[6]C[6]H)(H){1|H<1>,2|C<4>}	N[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(CNO){1|C<3>,1|O<2>,7|H<1>}	H(C[6,6]N[6,6]C[6]2)	110.4770	0.000	1	110.4770	0.000	1	110.4770	0.000	1	108.8660	5.191	2	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:4:3:1:	4:3:4:	4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	109.3155	0.387	2	109.3155	0.150	2	109.3314	0.829	5	108.5321	1.690	14	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:4:3:1:	4:3:4:	4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]H)(C[6]C[6]HH)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,5|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	107.9000	0.000	1	107.9000	0.000	1	109.3314	0.829	5	108.5321	1.690	14	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:4:3:1:	4:3:4:	4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]CH)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]CH){1|C<3>,1|N<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	110.2130	0.000	1	110.2130	0.000	1	109.3314	0.829	5	108.5321	1.690	14	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:4:3:1:	4:3:4:	4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]N[5,6]HH)(N[6,6]C[6]2)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,5,6]O)(C[6]C[6]HH)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]N[5,6]HH)(N[6,6]C[6]2)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,5,6]O)(C[6]C[6]HH){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	109.9130	0.000	1	109.9130	0.000	1	109.3314	0.829	5	108.5321	1.690	14	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:4:3:1:	4:3:4:	4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(N[6,6]C[6]2)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[3,6]O)(C[6]C[6]HH)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(N[6,6]C[6]2)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[3,6]O)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	105.8460	0.000	1	105.8460	0.000	1	108.0881	1.711	9	108.5321	1.690	14	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:4:3:1:	4:3:4:	4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	108.7190	0.000	1	108.7190	0.000	1	108.0881	1.711	9	108.5321	1.690	14	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:4:3:1:	4:3:4:	4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH){4|C<3>,4|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	108.6932	0.631	6	108.6932	0.399	6	108.0881	1.711	9	108.5321	1.690	14	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:4:3:1:	4:3:4:	4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(N[6,6]C[6]2)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(N[6,6]C[6]2)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	106.0690	0.000	1	106.0690	0.000	1	108.0881	1.711	9	108.5321	1.690	14	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:4:3:1:	4:4:3:	4:	C[5a,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H)	N[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6,6]C[5a,6]C[6,6]N[6,6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H){1|O<1>,3|C<3>,4|C<4>,5|H<1>}	N[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[5a,6]C[6,6]N[6,6])	106.8045	0.194	2	106.8045	0.038	2	106.8045	0.038	2	107.3153	0.458	31	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:4:3:1:	4:4:3:	4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]O)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H){1|N<4>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]O){3|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	107.2320	0.000	1	107.2320	0.000	1	107.4055	0.060	2	107.3153	0.458	31	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:4:3:1:	4:4:3:	4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	107.5790	0.000	1	107.5790	0.000	1	107.4055	0.060	2	107.3153	0.458	31	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:4:3:1:	4:4:3:	4:	N[6,6]-3:C[3x6]-4:B[5a]-3:H-1:	C[6,6]-4:C[3x6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(B[5a]O[5a]2)(H)	N[6,6](C[6,6]C[3x6]B[5a]H)(C[3x6]C[6,6]2C)(C[6a]C[6a]2)	H(C[6,6]C[3x6]N[6,6]B[5a])	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(B[5a]O[5a]2)(H){3|H<1>,4|C<3>,4|C<4>}	N[6,6](C[6,6]C[3x6]B[5a]H)(C[3x6]C[6,6]2C)(C[6a]C[6a]2){2|C<3>,2|O<2>,4|H<1>,5|C<4>}	H(C[6,6]C[3x6]N[6,6]B[5a])	108.6970	0.000	1	108.6970	0.000	1	108.6970	0.000	1	107.3153	0.458	31	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:4:3:1:	4:4:3:	4:	N[6,6]-3:C[3x6]-4:C[6a]-3:H-1:	C[6,6]-4:C[3x6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)	H(C[6,6]C[3x6]N[6,6]C[6a])	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,5|C<3>,5|H<1>}	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2){1|C<4>,5|H<1>,6|C<3>}	H(C[6,6]C[3x6]N[6,6]C[6a])	108.0230	0.000	1	108.0170	0.000	2	108.0170	0.000	2	107.3153	0.458	31	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:4:3:1:	4:4:3:	4:	N[6,6]-3:C[3x6]-4:C[6a]-3:H-1:	C[6,6]-4:C[3x6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)	H(C[6,6]C[3x6]N[6,6]C[6a])	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2){1|C<4>,5|C<3>,7|H<1>}	H(C[6,6]C[3x6]N[6,6]C[6a])	108.0110	0.000	1	108.0170	0.000	2	108.0170	0.000	2	107.3153	0.458	31	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:4:3:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	H(C[6,6]N[6,6]C[6]2)	106.7430	0.000	1	106.7430	0.000	1	107.2040	0.433	23	107.3153	0.458	31	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:4:3:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)(H){1|O<1>,2|C<4>,5|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.3178	0.402	12	107.2335	0.252	15	107.2040	0.433	23	107.3153	0.458	31	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:4:3:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)(H){1|O<1>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6,6]N[6,6]C[6]2)	106.8963	0.813	3	107.2335	0.252	15	107.2040	0.433	23	107.3153	0.458	31	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:4:3:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)(H)	N[6,6](C[6,6]C[6]2H)(C[6]S[6]HH)(C[6]C[6]O)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)(H){1|O<1>,1|S<2>,2|C<4>,4|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]S[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6,6]N[6,6]C[6]2)	106.8740	0.800	3	106.8740	0.640	3	107.2040	0.433	23	107.3153	0.458	31	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:4:3:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]S[6]HH)(C[6]N[6]O)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2)(C[6]S[6]HH)(C[6]N[6]O)(H){1|O<1>,2|H<1>,3|C<4>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,1|S<2>,5|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.4560	1.144	4	107.4560	1.308	4	107.2040	0.433	23	107.3153	0.458	31	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:4:3:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6,6]N[6,6]C[6]N[6])	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<1>,3|C<4>,5|H<1>}	N[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]O){3|C<4>,6|H<1>}	H(C[6,6]N[6,6]C[6]N[6])	107.9300	0.000	1	107.9300	0.000	1	107.9300	0.000	1	107.3153	0.458	31	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:4:4:1:	3:4:4:	4:	N[6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]2C[6])(C[6]O[6]HH)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)	H(C[6,6]C[5,6]N[6,6]C[6])	C[6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]2C[6])(C[6]O[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	H(C[6,6]C[5,6]N[6,6]C[6])	110.5420	0.000	1	110.5420	0.000	1	110.5420	0.000	1	108.4917	2.199	4	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:4:4:1:	3:4:4:	4:	N[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]3)(C[6]O[6]HH)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]3)(C[6]O[6]HH)(H){1|C<4>,2|C<3>,2|N<3>,2|O<1>,4|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	108.1950	0.000	1	108.1950	0.000	1	108.1950	0.000	1	108.4917	2.199	4	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:4:4:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<2>,2|C<4>,3|C<3>,5|H<1>}	H(C[6,6]N[6,6]C[6]2)	106.9950	0.000	1	106.9950	0.000	1	107.6150	0.769	2	108.4917	2.199	4	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:4:4:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]O[6]HH)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]O[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<2>,1|C<4>,1|O<2>,3|C<3>,5|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.2350	0.000	1	108.2350	0.000	1	107.6150	0.769	2	108.4917	2.199	4	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:4:4:1:	4:3:4:	4:	N[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]OO)(C[6]C[6]CH)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]OO)(C[6]C[6]CH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	108.0150	0.000	1	108.0150	0.000	1	108.1390	0.229	5	108.1390	0.229	5	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:4:4:1:	4:3:4:	4:	N[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]OO)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]OO)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	108.6040	0.376	2	108.6040	0.142	2	108.1390	0.229	5	108.1390	0.229	5	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:4:4:1:	4:3:4:	4:	N[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	107.7360	0.000	2	107.7360	0.000	2	108.1390	0.229	5	108.1390	0.229	5	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:4:4:1:	4:4:3:	4:	N[6,6]-3:C[3x6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(CCHH)(H)	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)	H(C[6,6]C[3x6]N[6,6]C)	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(CCHH)(H){2|H<1>,3|C<3>,3|C<4>}	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(C[6a]C[6a]2){3|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[3x6]N[6,6]C)	107.9920	0.000	1	107.9920	0.000	1	107.9920	0.000	1	107.7068	1.117	13	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:4:4:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[6]HH)2(H)	N[6,6](C[6,6]C[6]2H)2(C[6a]C[6a]2)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[6]HH)2(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[6]2H)2(C[6a]C[6a]2){10|H<1>,1|C<4>,3|C<3>}	H(C[6,6]N[6,6]C[6]2)	108.0310	0.142	4	108.0310	0.020	4	108.0310	0.020	4	107.7068	1.117	13	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:4:4:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<1>,2|C<4>,6|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O){1|O<2>,2|C<4>,7|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.2990	0.000	1	108.2990	0.000	1	107.2557	1.490	7	107.7068	1.117	13	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:4:4:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O){1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.5670	0.000	1	107.5670	0.000	1	107.2557	1.490	7	107.7068	1.117	13	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:4:4:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O){1|Cl<1>,2|C<4>,7|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.6130	0.000	1	107.9413	0.131	3	107.2557	1.490	7	107.7068	1.117	13	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:4:4:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O){2|C<4>,8|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.3290	0.000	1	107.9413	0.131	3	107.2557	1.490	7	107.7068	1.117	13	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:4:4:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|C<4>,7|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.8820	0.000	1	107.9413	0.131	3	107.2557	1.490	7	107.7068	1.117	13	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:4:4:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]S)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H){1|S<1>,4|C<4>,4|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]S){2|C<4>,8|H<1>}	H(C[6,6]N[6,6]C[6]2)	105.1880	0.000	1	105.1880	0.000	1	107.2557	1.490	7	107.7068	1.117	13	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:4:4:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]Pd)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)2(H){1|Pd<4>,1|C<4>,1|N<3>,6|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]Pd){1|C<3>,2|C<4>,6|H<1>}	H(C[6,6]N[6,6]C[6]2)	105.9120	0.000	1	105.9120	0.000	1	107.2557	1.490	7	107.7068	1.117	13	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:4:4:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]HH)(H)	N[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6,6]N[6,6]C[6]N[6])	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	N[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]O){3|C<4>,7|H<1>}	H(C[6,6]N[6,6]C[6]N[6])	109.2830	0.000	1	109.2830	0.000	1	109.2830	0.000	1	107.7068	1.117	13	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	3:4:4:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:S-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]S)(C[6]N[6]HH)2(H)	N[6,6](C[6,6]C[6]2H)2(SCOO)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6]S)(C[6]N[6]HH)2(H){1|H<1>,2|C<4>,2|S<4>}	N[6,6](C[6,6]C[6]2H)2(SCOO){2|N<3>,8|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.4970	0.175	4	108.4970	0.031	4	108.4970	0.031	4	108.4970	0.031	4	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	4:3:1:1:	3:4:4:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6a]C[6,6]C[6])(N[6,6]C[6,6a]C[6])(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(C[6]N[6]HH)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6a]C[6,6]C[6])(N[6,6]C[6,6a]C[6])(H)2{1|N<2>,4|H<1>,5|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(C[6]N[6]HH){1|C<4>,1|H<1>,4|C<3>}	H(C[6,6]C[3x6]N[6,6]H)	109.4075	0.515	2	109.4075	0.266	2	109.4075	0.266	2	109.6085	0.144	4	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	4:3:1:1:	3:4:4:	4:	N[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6]H)(N[6,6]C[6,6a]C[6])(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	H(C[6,6]N[6,6]2H)	C[6,6](N[6,6]C[6,6a]C[6]H)(N[6,6]C[6,6a]C[6])(H)2{4|C<3>,4|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,2|H<1>,4|C<3>}	H(C[6,6]N[6,6]2H)	109.8095	0.064	2	109.8095	0.004	2	109.8095	0.004	2	109.6085	0.144	4	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	4:3:1:1:	4:3:4:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(H)2	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]C[6])(C[6]C[6]HH)	H(C[6,6]C[6,6]N[6,6]H)	C[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(H)2{1|C<4>,2|C<3>,6|H<1>}	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]C[6])(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[6,6]H)	109.5150	0.027	2	109.5150	0.001	2	109.5150	0.001	2	109.5150	0.001	2	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	4:3:1:1:	4:4:3:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]C)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]C)(H)2{1|C<3>,1|C<4>,4|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO){1|H<1>,2|C<3>,3|C<4>}	H(C[6,6]C[3x6]N[6,6]H)	110.2075	0.022	2	110.2075	0.000	2	110.3635	0.016	17	110.3674	0.014	19	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	4:3:1:1:	4:4:3:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(COO)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(COO){1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[3x6]N[6,6]H)	110.3175	0.006	2	110.3175	0.000	2	110.3635	0.016	17	110.3674	0.014	19	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	4:3:1:1:	4:4:3:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CHO)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{2|C<4>,5|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CHO){1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]N[6,6]H)	110.2560	0.000	1	110.2560	0.000	1	110.3635	0.016	17	110.3674	0.014	19	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	4:3:1:1:	4:4:3:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{1|C<3>,2|C<4>,3|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO){1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[3x6]N[6,6]H)	110.4270	0.013	2	110.4249	0.004	7	110.3635	0.016	17	110.3674	0.014	19	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	4:3:1:1:	4:4:3:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{2|C<3>,4|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6,6]C[3x6]N[6,6]H)	110.4292	0.088	4	110.4249	0.004	7	110.3635	0.016	17	110.3674	0.014	19	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	4:3:1:1:	4:4:3:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{2|C<4>,5|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO){2|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[3x6]N[6,6]H)	110.4030	0.000	1	110.4249	0.004	7	110.3635	0.016	17	110.3674	0.014	19	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	4:3:1:1:	4:4:3:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(N[6,6]C[3x6]C)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCO)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(N[6,6]C[3x6]C)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCO){1|C<4>,1|N<3>,5|H<1>}	H(C[6,6]C[3x6]N[6,6]H)	110.1940	0.021	2	110.3197	0.021	4	110.3635	0.016	17	110.3674	0.014	19	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	4:3:1:1:	4:4:3:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(N[6,6]C[3x6]C)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCO)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(N[6,6]C[3x6]C)(H)2{1|C<3>,2|C<4>,3|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCO){1|C<4>,2|N<3>,4|H<1>}	H(C[6,6]C[3x6]N[6,6]H)	110.4455	0.005	2	110.3197	0.021	4	110.3635	0.016	17	110.3674	0.014	19	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	4:3:1:1:	4:4:3:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(N[6,6]C[3x6]C)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(N[6,6]C[3x6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(COO){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[6,6]C[3x6]N[6,6]H)	110.6200	0.000	1	110.6200	0.000	1	110.3635	0.016	17	110.3674	0.014	19	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(H)2	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]S)	H(C[6,6]C[6,6]N[6,6]H)	C[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(H)2{1|C<4>,1|N<3>,1|O<1>,1|S<1>,4|H<1>}	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]S){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[6,6]H)	110.4010	0.051	2	110.4010	0.003	2	110.4010	0.003	2	110.3674	0.014	19	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	4:3:1:1:	4:4:4:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:P[3x6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(N[6,6]P[3x6]C)(H)2	N[6,6](C[6,6]C[3x6]HH)(P[3x6]N[6,6]2N)(CH3)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(N[6,6]P[3x6]C)(H)2{1|N<2>,2|N<3>,4|H<1>}	N[6,6](C[6,6]C[3x6]HH)(P[3x6]N[6,6]2N)(CH3){5|C<4>}	H(C[6,6]C[3x6]N[6,6]H)	109.3570	0.295	6	109.3570	0.087	6	109.3570	0.087	6	109.3570	0.087	6	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6a]C[5]C[6])(N[6,6]C[6]2)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H)	H(C[6,6]C[5,6]N[6,6]C[6])	C[6,6](C[5,6]C[5,6a]C[5]C[6])(N[6,6]C[6]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[5,6]N[6,6]C[6])	107.3310	0.000	1	107.3310	0.000	1	107.3310	0.000	1	107.1500	0.066	2	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]C)(N[6,6]C[6]2)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(C[6]C[6]O)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]C)(N[6,6]C[6]2)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|F<1>,2|H<1>,3|C<3>}	H(C[6,6]N[6,6]C[6]2)	106.9690	0.000	1	106.9690	0.000	1	106.9690	0.000	1	107.1500	0.066	2	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	4:3:3:1:	4:4:3:	4:	C[5,6]-4:C[6,6a]-3:N[6,6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H)	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6,6]C[6,6a]C[5,6]N[6,6])	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]H){2|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[5,6]N[6,6])	107.9090	0.000	1	107.9090	0.000	1	107.9090	0.000	1	107.5089	0.140	14	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	4:3:3:1:	4:4:3:	4:	C[6,6]-4:C[6,6a]-3:N[6,6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H)	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(C[6]O[6]O)	H(C[6,6]C[6,6a]C[6,6]N[6,6])	C[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(C[6]O[6]O){1|N<3>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]N[6,6])	107.6530	0.593	2	107.6530	0.351	2	107.6530	0.351	2	107.5089	0.140	14	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	4:3:3:1:	4:4:3:	4:	C[6]-4:C[6]-3:N[6,6]-3:H-1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6]C[5a,6]HH)(C[6]N[5,6]O)(N[6,6]C[6]2)(H)	N[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2H)(C[6]C[5,6]O)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[5a,6]HH)(C[6]N[5,6]O)(N[6,6]C[6]2)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2H)(C[6]C[5,6]O){1|C<3>,1|C<4>,1|O<1>,2|N<3>,3|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.7830	0.000	1	107.7830	0.000	1	107.7830	0.000	1	107.5089	0.140	14	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	4:3:3:1:	4:4:3:	4:	C[6]-4:N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6]C[6a]N[6]H)(N[6,6]C[6]2)(C[6]N[6]O)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6a]N[6]H)(N[6,6]C[6]2)(C[6]N[6]O)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,2|N<3>,2|O<1>,3|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.2243	0.300	3	107.2020	0.062	4	107.2020	0.062	4	107.5089	0.140	14	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	4:3:3:1:	4:4:3:	4:	C[6]-4:N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6]C[6a]N[6]H)(N[6,6]C[6]2)(C[6]N[6]O)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6a]N[6]H)(N[6,6]C[6]2)(C[6]N[6]O)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,2|N<3>,2|O<1>,3|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.1350	0.000	1	107.2020	0.062	4	107.2020	0.062	4	107.5089	0.140	14	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	4:3:3:1:	4:4:3:	4:	C[6]-4:N[6,6]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6]2)(C[6]N[6]O)(H)	N[6,6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]2H)(C[6]C[6]O)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6]2)(C[6]N[6]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[6,6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]2H)(C[6]C[6]O){1|O<1>,2|N<3>,3|C<3>,4|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.5820	0.103	3	107.5820	0.011	3	107.5670	0.152	5	107.5089	0.140	14	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	4:3:3:1:	4:4:3:	4:	C[6]-4:N[6,6]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6]2)(C[6]N[6]O)(H)	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]2H)(C[6]C[6]O)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6]2)(C[6]N[6]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]2H)(C[6]C[6]O){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.0860	0.000	1	108.0860	0.000	1	107.5670	0.152	5	107.5089	0.140	14	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	4:3:3:1:	4:4:3:	4:	C[6]-4:N[6,6]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6]2)(C[6]N[6]O)(H)	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]O)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6]2)(C[6]N[6]O)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]O){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.0030	0.000	1	107.0030	0.000	1	107.5670	0.152	5	107.5089	0.140	14	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	4:3:3:1:	4:4:3:	4:	C[6]-4:N[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6]C[6a]2C[6])(N[6,6]C[6]2)(N[6]C[6]C)(H)	N[6,6](C[6,6]C[6]N[6]H)(C[6]N[6]HH)(C[6]N[6]O)	H(C[6,6]N[6,6]C[6]N[6])	C[6,6](C[6]C[6a]2C[6])(N[6,6]C[6]2)(N[6]C[6]C)(H){2|N<3>,2|O<1>,4|C<3>,4|H<1>}	N[6,6](C[6,6]C[6]N[6]H)(C[6]N[6]HH)(C[6]N[6]O){3|C<4>,4|C<3>}	H(C[6,6]N[6,6]C[6]N[6])	107.4830	0.000	1	107.4830	0.000	1	107.4830	0.000	1	107.5089	0.140	14	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	4:3:4:1:	3:4:3:	4:	C[3,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[3,6]C[3,6]C[3]H)(N[6,6]C[6,6a]C[6])(C[6]N[6]HH)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3,6]C[6]H)(C[6]C[6a]C[6])	H(C[6,6]C[3,6]N[6,6]C[6])	C[6,6](C[3,6]C[3,6]C[3]H)(N[6,6]C[6,6a]C[6])(C[6]N[6]HH)(H){1|S<4>,3|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3,6]C[6]H)(C[6]C[6a]C[6]){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	H(C[6,6]C[3,6]N[6,6]C[6])	107.3770	0.000	1	107.3770	0.000	1	107.3770	0.000	1	107.3770	0.000	1	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	4:3:4:1:	3:4:4:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6]C[3,6,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6]C[3,6,6]O)(C[6,6]C[6]2H)(C[6]C[6]CH)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[3,6,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	N[6,6](C[6]C[3,6,6]O)(C[6,6]C[6]2H)(C[6]C[6]CH){1|O<2>,3|C<4>,6|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.9580	0.000	1	108.9580	0.000	1	108.9580	0.000	1	108.9580	0.000	1	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	4:3:4:1:	4:3:3:	4:	C[5,6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6,6]O[5,6]O)(N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]O)	H(C[6,6]C[5,6,6]N[6,6]C[6])	C[6,6](C[5,6,6]C[5,5,6,6]O[5,6]O)(N[6,6]C[6,6a]C[6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	N[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]O){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]N[6,6]C[6])	106.9060	0.000	1	106.9060	0.000	1	106.9060	0.000	1	106.9060	0.000	1	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	4:3:4:1:	4:3:4:	4:	C[5,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH)	H(C[6,6]C[5,6]N[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH){4|C<4>,6|H<1>}	H(C[6,6]C[5,6]N[6,6]C[6])	102.9470	0.000	1	102.9470	0.000	1	102.9470	0.000	1	107.3324	3.162	9	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	4:3:4:1:	4:3:4:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]HH)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,2|O<1>,5|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	107.5370	0.000	1	107.9784	0.883	5	107.9784	0.883	5	107.3324	3.162	9	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	4:3:4:1:	4:3:4:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]HH)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,8|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]HH){4|C<4>,6|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	107.7410	0.000	1	107.9784	0.883	5	107.9784	0.883	5	107.3324	3.162	9	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	4:3:4:1:	4:3:4:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]HH)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,2|O<1>,6|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]HH){1|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	108.2047	1.251	3	107.9784	0.883	5	107.9784	0.883	5	107.3324	3.162	9	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[6]C[5,6]CH)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]O)(C[6]C[6]HH)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[5,6]CH)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]O)(C[6]C[6]HH){5|C<4>,5|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.7360	0.000	2	107.7360	0.000	2	107.7177	0.001	3	107.3324	3.162	9	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[6]C[6,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]CH)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]CH){1|N<3>,3|C<4>,6|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.6810	0.000	1	107.6810	0.000	1	107.7177	0.001	3	107.3324	3.162	9	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	4:3:4:1:	4:4:3:	4:	C[3x6]-4:N[6,6]-3:C-4:H-1:	C[3x6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(CH3)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CC[6a]O)	H(C[6,6]C[3x6]N[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(CH3)(H){1|C<3>,1|C<4>,4|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CC[6a]O){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]N[6,6]C)	108.9830	0.000	1	108.9830	0.000	1	108.9830	0.000	1	108.0591	0.378	25	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	4:3:4:1:	4:4:3:	4:	C[5,5,6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6,6]C[6,6]C)(C[6]C[6]CH)(H)	N[6,6](C[6,6]C[5,5,6,6]C[6]H)2(CCC)	H(C[6,6]C[5,5,6,6]N[6,6]C[6])	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6,6]C[6,6]C)(C[6]C[6]CH)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	N[6,6](C[6,6]C[5,5,6,6]C[6]H)2(CCC){2|H<1>,2|O<2>,3|C<3>,3|C<4>}	H(C[6,6]C[5,5,6,6]N[6,6]C[6])	108.3680	0.000	1	108.2655	0.021	2	108.2655	0.021	2	108.0591	0.378	25	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	4:3:4:1:	4:4:3:	4:	C[5,5,6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6,6]C[6,6]C)(C[6]C[6]CH)(H)	N[6,6](C[6,6]C[5,5,6,6]C[6]H)2(CCC)	H(C[6,6]C[5,5,6,6]N[6,6]C[6])	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6,6]C[6,6]C)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	N[6,6](C[6,6]C[5,5,6,6]C[6]H)2(CCC){2|H<1>,2|O<2>,3|C<3>,3|C<4>}	H(C[6,6]C[5,5,6,6]N[6,6]C[6])	108.1630	0.000	1	108.2655	0.021	2	108.2655	0.021	2	108.0591	0.378	25	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	4:3:4:1:	4:4:3:	4:	C[5,5,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5,5,6]C[5,5,6]N[5]O[5])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6,6]C[5,5,6]N[6,6]C[6])	C[6,6](C[5,5,6]C[5,5,6]N[5]O[5])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	N[6,6](C[6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6,6]C[5,5,6]N[6,6]C[6])	107.3710	0.000	1	107.3710	0.000	1	107.3710	0.000	1	108.0591	0.378	25	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[3,6]C[3x6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[3,6]C[3x6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){4|C<4>,6|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	108.0780	0.000	1	108.0780	0.000	1	108.0012	0.399	17	108.0591	0.378	25	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]Cl)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|Cl<1>,1|C<3>,1|N<4>,2|C<4>,7|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]Cl){1|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	107.7830	0.000	1	107.7830	0.000	1	108.0012	0.399	17	108.0591	0.378	25	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,7|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){1|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	107.6940	0.000	1	108.2050	0.288	12	108.0012	0.399	17	108.0591	0.378	25	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,7|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){4|C<4>,6|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	107.9430	0.000	1	108.2050	0.288	12	108.0012	0.399	17	108.0591	0.378	25	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,7|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){1|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	108.2190	0.000	1	108.2050	0.288	12	108.0012	0.399	17	108.0591	0.378	25	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|S<2>,3|C<4>,6|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){4|C<4>,6|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	107.0900	0.000	1	108.2050	0.288	12	108.0012	0.399	17	108.0591	0.378	25	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,3|C<4>,7|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){4|C<4>,6|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	108.3318	0.419	6	108.2050	0.288	12	108.0012	0.399	17	108.0591	0.378	25	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<4>,1|O<1>,3|C<4>,7|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){4|C<4>,6|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	108.7615	0.069	2	108.2050	0.288	12	108.0012	0.399	17	108.0591	0.378	25	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HO)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HO)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,6|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	107.9990	0.000	1	107.9990	0.000	1	108.0012	0.399	17	108.0591	0.378	25	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,8|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){4|C<4>,6|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	106.9280	0.000	1	106.8500	0.012	2	108.0012	0.399	17	108.0591	0.378	25	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<4>,1|O<1>,3|C<4>,7|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){4|C<4>,6|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	106.7720	0.000	1	106.8500	0.012	2	108.0012	0.399	17	108.0591	0.378	25	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(C[6]N[6]HH)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2H)(COO)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(C[6]N[6]HH)(H){2|H<1>,3|C<3>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2H)(COO){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.6310	0.000	1	108.6310	0.000	1	108.6310	0.000	1	108.0591	0.378	25	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,2|O<1>,4|C<4>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,2|C<3>,7|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.4660	0.000	1	108.4660	0.000	1	108.4660	0.000	1	108.0591	0.378	25	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6]C[3,5,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6]C[3,5,6]HH)(C[6,6]C[6]2H)(C[6]C[6]O)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[3,5,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	N[6,6](C[6]C[3,5,6]HH)(C[6,6]C[6]2H)(C[6]C[6]O){1|O<2>,3|C<4>,6|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.2400	0.000	1	107.2400	0.000	1	107.7375	0.495	2	108.0591	0.378	25	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6]C[6,6a]C[6a]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]O[6]O)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6,6a]C[6a]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|C<3>,4|H<1>}	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]O[6]O){1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.2350	0.000	1	108.2350	0.000	1	107.7375	0.495	2	108.0591	0.378	25	108.5464	1.770	421	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	3:2:3:1:	3:4:1:	4:	N[6]-3:O[6,6]-2:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](N[6]C[6,6a]H)(O[6,6]C[3x6])(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]H)(H)	H(C[6,6]O[6,6]C[6]N[6])	C[6,6](N[6]C[6,6a]H)(O[6,6]C[3x6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]O[6,6]C[6]N[6])	108.8200	0.000	1	108.8200	0.000	1	108.8200	0.000	1	108.8200	0.000	1	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	3:2:3:1:	4:3:4:	4:	C[6,6]-3:O[6]-2:N[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(N[6]C[6]C)(H)	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]N)(CH3)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]N)(CH3){1|N<3>,3|C<3>}	H(C[6,6]C[6,6]N[6]O[6])	108.1140	0.000	2	108.1140	0.000	2	108.1140	0.000	2	108.1140	0.000	2	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	3:3:2:1:	3:4:1:	4:	C[6,6]-3:N[6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]H)(O[6]C[6])(H)	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]O[6]H)(H)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]H)(O[6]C[6])(H){1|N<2>,1|S<2>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]O[6]H)(H){1|C<4>,1|N<2>,3|C<3>}	H(C[6,6]C[6,6]N[6]O[6])	108.2525	1.638	2	108.2525	2.684	2	108.2525	2.684	2	108.2525	2.684	2	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	3:3:2:1:	3:4:4:	4:	C[6,6]-3:N[6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]C)(O[6]C[6,6a])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]C)(O[6]C[6,6a])(H){2|C<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	H(C[6,6]C[6,6]N[6]O[6])	112.2640	0.000	1	112.2640	0.000	1	112.2640	0.000	1	109.8167	4.492	3	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	3:3:2:1:	3:4:4:	4:	N[6]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](N[6]C[6,6a]C)(N[6,6]C[6]2)(O[6]C[5,6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]O[6]H)(CH3)	H(C[6,6]N[6,6]N[6]O[6])	C[6,6](N[6]C[6,6a]C)(N[6,6]C[6]2)(O[6]C[5,6])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]O[6]H)(CH3){1|H<1>,2|C<4>,3|C<3>}	H(C[6,6]N[6,6]N[6]O[6])	108.5930	0.016	2	108.5930	0.000	2	108.5930	0.000	2	109.8167	4.492	3	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	3:3:3:1:	3:4:3:	4:	N[6,6]-3:N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C)(N[6]C[6,6a]C)(C[6]C[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(COO)	H(C[6,6]N[6,6]C[6]N[6])	C[6,6](N[6,6]C[6,6]C)(N[6]C[6,6a]C)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(COO){1|C<4>,1|H<1>,5|C<3>}	H(C[6,6]N[6,6]C[6]N[6])	109.5160	0.168	2	109.5160	0.028	2	109.5160	0.028	2	109.5160	0.028	2	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[5a,6]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6a]C[6])(N[6]C[6]H)(H)	N[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6,6a]O)(H)	H(C[6,6]C[5a,6]N[6,6]N[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6a]C[6])(N[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6,6a]O)(H){1|C<4>,1|N<3>,3|C<3>}	H(C[6,6]C[5a,6]N[6,6]N[6])	108.0940	0.000	1	108.0940	0.000	1	108.0940	0.000	1	108.6165	0.233	11	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[6,6,6a]-3:N[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6a]2)(N[6]C[6]H)2(H)	N[6](C[6,6]C[6,6,6a]N[6]H)(C[6]N[6]N)(H)	H(C[6,6]C[6,6,6a]N[6]2)	C[6,6](C[6,6,6a]C[6,6a]2)(N[6]C[6]H)2(H){2|C<3>,4|N<3>}	N[6](C[6,6]C[6,6,6a]N[6]H)(C[6]N[6]N)(H){2|H<1>,3|C<3>}	H(C[6,6]C[6,6,6a]N[6]2)	109.1320	0.083	2	109.1320	0.007	2	109.1320	0.007	2	108.6165	0.233	11	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[6,6a]-3:N[3x6]-3:N[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6a]C[3x6])(N[6]C[6,6a]H)(H)	N[6](C[6,6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(H)	H(C[6,6]C[6,6a]N[3x6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6a]C[3x6])(N[6]C[6,6a]H)(H){1|N<3>,2|H<1>,6|C<3>}	N[6](C[6,6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|H<1>,5|C<3>}	H(C[6,6]C[6,6a]N[3x6]N[6])	108.7230	0.027	2	108.7230	0.001	2	108.7230	0.001	2	108.6165	0.233	11	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(N[6]C[6,6a]H)(H)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)	H(C[6,6]C[6,6a]N[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(N[6]C[6,6a]H)(H){1|N<3>,2|H<1>,4|C<3>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,2|C<4>,4|C<3>}	H(C[6,6]C[6,6a]N[6,6]N[6])	107.8980	0.000	1	107.8980	0.000	1	107.8980	0.000	1	108.6165	0.233	11	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]H)(H)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]O)(H)	H(C[6,6]C[6,6a]N[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,4|C<3>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]O)(H){5|C<3>}	H(C[6,6]C[6,6a]N[6,6]N[6])	108.6305	0.275	2	108.6305	0.076	2	108.4408	0.120	4	108.6165	0.233	11	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6]H)(H)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(H)	H(C[6,6]C[6,6a]N[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6]H)(H){1|O<1>,2|H<1>,5|C<3>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(H){1|H<1>,4|C<3>}	H(C[6,6]C[6,6a]N[6,6]N[6])	107.9850	0.000	1	107.9850	0.000	1	108.4408	0.120	4	108.6165	0.233	11	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]N[5a,6]C[6])(N[6]C[6]H)(H)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[5a,6]O)(H)	H(C[6,6]C[6,6a]N[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]N[5a,6]C[6])(N[6]C[6]H)(H){1|H<1>,1|O<1>,6|C<3>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[5a,6]O)(H){1|N<3>,4|C<3>}	H(C[6,6]C[6,6a]N[6,6]N[6])	108.5170	0.000	1	108.5170	0.000	1	108.4408	0.120	4	108.6165	0.233	11	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	3:3:3:1:	4:3:1:	4:	N[6,6]-3:C[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]N)(N[6]C[6]H)(H)	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H)	H(C[6,6]N[6,6]C[6]N[6])	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,1|N<3>,3|H<1>}	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|N<3>}	H(C[6,6]N[6,6]C[6]N[6])	109.3170	0.000	1	109.3170	0.000	1	109.3170	0.000	1	108.6165	0.233	11	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	3:3:3:1:	4:3:2:	4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]O[6])(N[6]C[6]O)(H)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(OC)	H(C[6,6]C[6,6a]N[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]O[6])(N[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(OC){1|O<2>,2|C<4>,3|C<3>}	H(C[6,6]C[6,6a]N[6,6]N[6])	107.2900	0.000	1	107.2900	0.000	1	107.2900	0.000	1	109.3771	0.887	7	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	3:3:3:1:	4:3:2:	4:	N[6,6]-3:N[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6a]-3:N[6]-2:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]H)(N[6]C[6a]N[6])(C[6]N[6]C)(H)	N[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6])	H(C[6,6]N[6,6]C[6]N[6])	C[6,6](N[6,6]C[6,6]H)(N[6]C[6a]N[6])(C[6]N[6]C)(H){1|H<1>,1|N<3>,3|C<3>}	N[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	H(C[6,6]N[6,6]C[6]N[6])	109.7250	0.220	6	109.7250	0.048	6	109.7250	0.048	6	109.3771	0.887	7	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-3:N-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]N)(H)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]O)(NC[6a]H)	H(C[6,6]C[6,6a]N[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]N)(H){1|H<1>,1|O<1>,6|C<3>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]O)(NC[6a]H){5|C<3>}	H(C[6,6]C[6,6a]N[6,6]N[6])	107.5555	0.719	2	107.5555	0.517	2	107.5555	0.517	2	107.9363	0.694	3	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	3:3:3:1:	4:3:3:	4:	N[6]-3:N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6a]-3:	C[6,6]-4:	C[6,6](N[6]C[6,6]C[6a])(N[6,6]C[6,6]C)(C[6]C[6]C)(H)	N[6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	H(C[6,6]N[6,6]C[6]N[6])	C[6,6](N[6]C[6,6]C[6a])(N[6,6]C[6,6]C)(C[6]C[6]C)(H){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|C<2>,3|C<4>,4|C<3>,4|H<1>}	H(C[6,6]N[6,6]C[6]N[6])	108.6980	0.000	1	108.6980	0.000	1	108.6980	0.000	1	107.9363	0.694	3	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	3:3:3:1:	4:3:4:	4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(N[6]C[6,6a]C)(H)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)	H(C[6,6]C[6,6a]N[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(N[6]C[6,6a]C)(H){1|N<3>,2|H<1>,4|C<3>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3){1|H<1>,2|C<4>,4|C<3>}	H(C[6,6]C[6,6a]N[6,6]N[6])	107.8825	0.095	2	107.8825	0.009	2	107.8825	0.009	2	108.3681	1.214	7	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	3:3:3:1:	4:3:4:	4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(H)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]O)(CC[6a]HH)	H(C[6,6]C[6,6a]N[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]O)(CC[6a]HH){1|C<4>,4|C<3>}	H(C[6,6]C[6,6a]N[6,6]N[6])	107.2120	0.518	2	107.2120	0.268	2	107.2120	0.268	2	108.3681	1.214	7	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	3:3:3:1:	4:3:4:	4:	N[6,6]-3:C[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]N)(N[6]C[6]C)(H)	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(CC[6a]HH)	H(C[6,6]N[6,6]C[6]N[6])	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,1|N<3>,3|H<1>}	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|C<4>,2|N<3>}	H(C[6,6]N[6,6]C[6]N[6])	109.0540	0.000	1	109.0540	0.000	1	109.4627	0.133	3	108.3681	1.214	7	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	3:3:3:1:	4:3:4:	4:	N[6,6]-3:C[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]N)(N[6]C[6]C)(H)	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(CCHH)	H(C[6,6]N[6,6]C[6]N[6])	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,1|N<3>,3|H<1>}	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	H(C[6,6]N[6,6]C[6]N[6])	109.6670	0.127	2	109.6670	0.016	2	109.4627	0.133	3	108.3681	1.214	7	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	3:3:3:1:	4:4:3:	4:	C[5a,6]-3:C[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]O)(N[6]C[6]C)(H)	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(COO)	H(C[6,6]C[5a,6]C[6,6]N[6])	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]O)(N[6]C[6]C)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(COO){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6,6]C[5a,6]C[6,6]N[6])	108.5270	0.000	1	108.5270	0.000	1	108.5270	0.000	1	107.5255	2.006	2	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	3:3:3:1:	4:4:3:	4:	C[6,6a]-3:C[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(N[6]C[6]C)(H)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(COO)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(N[6]C[6]C)(H){1|C<4>,4|C<3>,4|H<1>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(COO){5|C<3>}	H(C[6,6]C[6,6a]C[6,6]N[6])	106.5240	0.000	1	106.5240	0.000	1	106.5240	0.000	1	107.5255	2.006	2	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	3:3:4:1:	3:4:1:	4:	N[6,6]-3:N[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[5,6]C[6])(N[6]C[6,6a]H)(C[6]C[6]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)	H(C[6,6]N[6,6]C[6]N[6])	C[6,6](N[6,6]C[5,6]C[6])(N[6]C[6,6a]H)(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H){2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]N[6,6]C[6]N[6])	108.4960	0.000	1	108.4960	0.000	1	108.4960	0.000	1	108.4960	0.000	1	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	3:3:4:1:	3:4:4:	4:	N[6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](N[6]C[6,6a]C)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(CN[5]HH)	H(C[6,6]N[6,6]C[6]N[6])	C[6,6](N[6]C[6,6a]C)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(CN[5]HH){2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]N[6,6]C[6]N[6])	106.9900	0.000	1	106.9900	0.000	1	106.9900	0.000	1	106.9900	0.000	1	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	3:3:4:1:	4:3:2:	4:	C[6,6]-3:N[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:O[6]-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6a]O[6])(C[6]O[6]HH)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6])	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6a]O[6])(C[6]O[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6]){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	106.1980	0.000	1	106.1980	0.000	1	106.1980	0.000	1	106.1980	0.000	1	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6,6]-4:	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]CH)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]N[6])	107.1710	0.000	1	107.1710	0.000	1	107.1710	0.000	1	107.1710	0.000	1	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	3:4:2:1:	4:3:4:	4:	N[6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:	C[6,6]-4:	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2H)(O[6]C[6,6a])(H)	N[6](C[6,6]C[6,6]O[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2H)(O[6]C[6,6a])(H){2|C<4>,4|C<3>,5|H<1>}	N[6](C[6,6]C[6,6]O[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){3|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[6]O[6])	108.6050	0.000	1	108.6050	0.000	1	108.6050	0.000	1	108.6050	0.000	1	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	3:4:3:1:	3:4:4:	4:	N[6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(CC[6a]HH)	H(C[6,6]C[6,6]N[6]2)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(H){1|C<4>,1|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]N[6]2)	108.2470	0.000	1	108.2470	0.000	1	108.2470	0.000	1	108.2470	0.000	1	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	3:4:3:1:	4:3:1:	4:	C[5a,6]-3:C[3x6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[3x6]C[6,6]2H)(N[6]C[6]H)(H)	N[6](C[6,6]C[5a,6]C[3x6]H)(C[6]O[6]O)(H)	H(C[6,6]C[5a,6]C[3x6]N[6])	C[6,6](C[5a,6]C[5a,6]C[5a])(C[3x6]C[6,6]2H)(N[6]C[6]H)(H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	N[6](C[6,6]C[5a,6]C[3x6]H)(C[6]O[6]O)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6,6]C[5a,6]C[3x6]N[6])	109.1730	0.000	1	109.1730	0.000	1	109.1730	0.000	1	109.1499	0.606	22	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	3:4:3:1:	4:3:1:	4:	C[6,6]-3:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HO)(N[6]C[6]H)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HO)(N[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6,6]C[6,6]C[6]N[6])	108.2653	0.193	6	108.2653	0.037	6	108.2653	0.037	6	109.1499	0.606	22	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	3:4:3:1:	4:3:1:	4:	C[6,6a]-3:C[3x6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2H)(N[6]C[6,6a]H)(H)	N[6](C[6,6]C[6,6a]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(H)	H(C[6,6]C[6,6a]C[3x6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2H)(N[6]C[6,6a]H)(H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	N[6](C[6,6]C[6,6a]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(H){2|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[3x6]N[6])	109.0490	0.000	1	109.0490	0.000	1	109.0490	0.000	1	109.1499	0.606	22	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	3:4:3:1:	4:3:1:	4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[5a,6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(N[6]C[5a,6]H)(H)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a,6]N[5a])(H)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(N[6]C[5a,6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a,6]N[5a])(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6a]C[6,6]N[6])	109.5512	0.145	5	109.5512	0.021	5	109.5512	0.021	5	109.1499	0.606	22	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	3:4:3:1:	4:3:1:	4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]C[6,6a]H)(H)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]C[6,6a]H)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H){2|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]N[6])	110.0825	0.026	2	110.0825	0.001	2	110.3543	0.222	3	109.1499	0.606	22	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	3:4:3:1:	4:3:1:	4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(N[6]C[6,6a]H)(H)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(N[6]C[6,6a]H)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|O<2>,6|C<3>}	H(C[6,6]C[6,6a]C[6,6]N[6])	110.8980	0.000	1	110.8980	0.000	1	110.3543	0.222	3	109.1499	0.606	22	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	3:4:3:1:	4:3:1:	4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]H)(H)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]O)(H)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6a]C[6,6]N[6])	109.3850	0.000	1	109.3850	0.000	1	109.1107	0.427	6	109.1499	0.606	22	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	3:4:3:1:	4:3:1:	4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]H)(H)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]S)(H)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]S)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6a]C[6,6]N[6])	109.6510	0.000	1	109.7760	0.031	2	109.1107	0.427	6	109.1499	0.606	22	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	3:4:3:1:	4:3:1:	4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]H)(H)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]S)(H)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]S)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[6,6]C[6,6a]C[6,6]N[6])	109.9010	0.000	1	109.7760	0.031	2	109.1107	0.427	6	109.1499	0.606	22	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	3:4:3:1:	4:3:1:	4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(N[6]C[6]H)(H)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]O)(H)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]O)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]N[6])	108.3650	0.137	2	108.5757	0.143	3	109.1107	0.427	6	109.1499	0.606	22	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	3:4:3:1:	4:3:1:	4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(N[6]C[6]H)(H)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]O)(H)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(N[6]C[6]H)(H){1|O<1>,2|H<1>,5|C<3>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]O)(H){1|H<1>,5|C<3>}	H(C[6,6]C[6,6a]C[6,6]N[6])	108.9970	0.000	1	108.5757	0.143	3	109.1107	0.427	6	109.1499	0.606	22	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]C)(H)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]S)(CCO)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]S)(CCO){1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6a]C[6,6]N[6])	107.6660	0.000	1	107.6660	0.000	1	107.6660	0.000	1	108.0517	0.113	3	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	3:4:3:1:	4:3:3:	4:	N[6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6a]-3:	C[6,6]-4:	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(H)	N[6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	H(C[6,6]C[6,6]N[6]2)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(H){1|C<4>,1|H<1>,5|C<3>}	N[6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){3|C<4>,4|C<3>,6|H<1>}	H(C[6,6]C[6,6]N[6]2)	108.2050	0.000	1	108.2050	0.000	1	108.2050	0.000	1	108.0517	0.113	3	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	3:4:3:1:	4:3:3:	4:	N[6]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6a]-3:	C[6,6]-4:	C[6,6](N[6]C[6,6]C[6a])(C[6]C[6,6a]BrH)(N[6,6]C[6,6]C)(H)	N[6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	H(C[6,6]N[6,6]C[6]N[6])	C[6,6](N[6]C[6,6]C[6a])(C[6]C[6,6a]BrH)(N[6,6]C[6,6]C)(H){1|C<4>,1|H<1>,5|C<3>}	N[6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|Br<1>,3|C<4>,4|C<3>,5|H<1>}	H(C[6,6]N[6,6]C[6]N[6])	108.2840	0.000	1	108.2840	0.000	1	108.2840	0.000	1	108.0517	0.113	3	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	3:4:3:1:	4:3:4:	4:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H)	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CCHH)	H(C[6,6]C[5a,6]C[6,6]N[6])	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CCHH){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[5a,6]C[6,6]N[6])	108.7113	0.626	3	108.6995	0.262	4	108.6995	0.262	4	108.5037	1.485	7	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	3:4:3:1:	4:3:4:	4:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H)	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CCHH)	H(C[6,6]C[5a,6]C[6,6]N[6])	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(CCHH){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[5a,6]C[6,6]N[6])	108.6640	0.000	1	108.6995	0.262	4	108.6995	0.262	4	108.5037	1.485	7	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	3:4:3:1:	4:3:4:	4:	C[6,6]-3:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(N[6]C[6]C)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH){1|C<4>,1|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]N[6])	105.9680	0.000	1	105.9680	0.000	1	105.9680	0.000	1	108.5037	1.485	7	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	3:4:3:1:	4:3:4:	4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:S-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(N[6]C[6,6a]S)(H)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(N[6]C[6,6a]S)(H){1|C<4>,2|H<1>,6|C<3>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO){1|C<4>,2|H<1>,5|C<3>}	H(C[6,6]C[6,6a]C[6,6]N[6])	109.3800	0.095	2	109.3800	0.009	2	109.3800	0.009	2	108.5037	1.485	7	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[5,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6,6]N[5])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H)	N[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(COO)	H(C[6,6]C[5,6]C[6,6]N[6])	C[6,6](C[5,6]C[5,6,6]N[5])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H){2|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(COO){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(C[6,6]C[5,6]C[6,6]N[6])	109.8130	0.000	1	109.8130	0.000	1	109.8130	0.000	1	107.9745	1.255	6	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]CH)(N[6]C[6]C)(H)	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(COO)	H(C[6,6]C[5a,6]C[6,6]N[6])	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]CH)(N[6]C[6]C)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(COO){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[5a,6]C[6,6]N[6])	107.8735	0.964	2	107.8735	0.929	2	107.8735	0.929	2	107.9745	1.255	6	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6,6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CCO)	H(C[6,6]C[6,6,6a]C[6]N[6])	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CCO){3|C<3>,4|H<1>}	H(C[6,6]C[6,6,6a]C[6]N[6])	108.1890	0.000	1	108.1890	0.000	1	107.4290	0.527	3	107.9745	1.255	6	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6,6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CHO)	H(C[6,6]C[6,6,6a]C[6]N[6])	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CHO){3|C<3>,4|H<1>}	H(C[6,6]C[6,6,6a]C[6]N[6])	107.0490	0.434	2	107.0490	0.188	2	107.4290	0.527	3	107.9745	1.255	6	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:S-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(N[6]C[6]S)(H)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(N[6]C[6]S)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6a]C[6,6]N[6])	106.7890	0.000	1	106.7890	0.000	1	106.7890	0.000	1	106.7890	0.000	1	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:2:3:1:	4:3:4:	4:	C[6,6]-4:O[6]-2:N[6]-3:H-1:	C[6,6]-4:C[6]-3:S-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(N[6]C[6]S)(H)	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]C[6])(SC[6a]OO)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(N[6]C[6]S)(H){1|H<1>,4|C<3>}	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]C[6])(SC[6a]OO){2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]N[6]O[6])	108.7040	0.000	1	108.7040	0.000	1	108.7040	0.000	1	108.7040	0.000	1	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:3:2:1:	3:4:1:	4:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]H)(O[6]C[6])(H)	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]O[6]H)(H)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]H)(O[6]C[6])(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]O[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6]N[6]O[6])	109.5700	0.000	1	108.1600	1.493	3	108.8026	1.522	5	108.8026	1.522	5	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:3:2:1:	3:4:1:	4:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]H)(O[6]C[6])(H)	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]O[6]H)(H)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]H)(O[6]C[6])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]O[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6]N[6]O[6])	107.4550	0.054	2	108.1600	1.493	3	108.8026	1.522	5	108.8026	1.522	5	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:3:2:1:	3:4:1:	4:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6]O[6]C)(N[6]C[6,6a]H)(O[6]C[6,6a])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]N[6]O[6]C)(N[6]C[6,6a]H)(O[6]C[6,6a])(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	H(C[6,6]C[6,6]N[6]O[6])	109.7170	0.000	1	109.7170	0.000	1	108.8026	1.522	5	108.8026	1.522	5	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:3:2:1:	3:4:1:	4:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]H)(O[6]C[6,6a])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]H)(O[6]C[6,6a])(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	H(C[6,6]C[6,6]N[6]O[6])	109.8160	0.000	1	109.8160	0.000	1	108.8026	1.522	5	108.8026	1.522	5	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:3:2:1:	3:4:3:	4:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]C)(O[6]C[6,6])(H)	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]O[6]H)(COO)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]C)(O[6]C[6,6])(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]O[6]H)(COO){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6]N[6]O[6])	109.7760	0.000	1	109.7760	0.000	1	109.7760	0.000	1	109.7760	0.000	1	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:3:2:1:	4:3:1:	4:	C[3x6]-4:N[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(N[6]C[6]H)(O[6]C[6])(H)	N[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]O)(H)	H(C[6,6]C[3x6]N[6]O[6])	C[6,6](C[3x6]C[6,6]C[6]O[6])(N[6]C[6]H)(O[6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,6|C<4>}	N[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]O)(H){1|H<1>,1|O<2>,4|C<4>}	H(C[6,6]C[3x6]N[6]O[6])	107.3858	0.182	16	107.3858	0.033	16	107.3858	0.033	16	107.6062	0.487	18	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:3:2:1:	4:3:1:	4:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(N[6]C[6]H)(O[6]C[6])(H)	N[6](C[6,6]C[6,6]O[6]H)(C[6]N[6]S)(H)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]C[6]2H)(N[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|S<1>,5|H<1>}	N[6](C[6,6]C[6,6]O[6]H)(C[6]N[6]S)(H){2|H<1>,3|C<4>}	H(C[6,6]C[6,6]N[6]O[6])	108.7400	0.000	1	108.7400	0.000	1	109.3690	0.791	2	107.6062	0.487	18	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:3:2:1:	4:3:1:	4:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(N[6]C[6]H)(O[6]C[6])(H)	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]C[6]O[6]H)(N[6]C[6]H)(O[6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[6]O[6])	109.9980	0.000	1	109.9980	0.000	1	109.3690	0.791	2	107.6062	0.487	18	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]FH)(N[6]C[6]C)(O[6]C[6])(H)	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(COO)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]C[6,6]FH)(N[6]C[6]C)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(COO){1|C<3>,1|C<4>,1|H<1>,2|F<1>}	H(C[6,6]C[6,6]N[6]O[6])	109.0690	0.000	1	109.0690	0.000	1	109.0255	0.004	2	109.0255	0.004	2	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HI)(N[6]C[6]C)(O[6]C[6])(H)	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(COO)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]C[6,6]HI)(N[6]C[6]C)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(COO){1|C<3>,1|C<4>,1|I<1>,2|H<1>}	H(C[6,6]C[6,6]N[6]O[6])	108.9820	0.000	1	108.9820	0.000	1	109.0255	0.004	2	109.0255	0.004	2	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:3:3:1:	3:4:1:	4:	C[4x6]-4:N[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[4x6]C[6,6a]C[4x6]C[6])(N[6]C[6,6a]H)(N[6]C[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[4x6]N[6]H)(H)	H(C[6,6]C[4x6]N[6]2)	C[6,6](C[4x6]C[6,6a]C[4x6]C[6])(N[6]C[6,6a]H)(N[6]C[6]C)(H){3|C<4>,4|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[4x6]N[6]H)(H){1|H<1>,3|C<3>,4|C<4>}	H(C[6,6]C[4x6]N[6]2)	107.8935	0.148	2	107.8935	0.022	2	107.8935	0.022	2	108.1967	0.287	3	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:3:3:1:	3:4:1:	4:	C[6,6]-4:N[6]-3:N[6]-3:H-1:	C[5a,6]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6]2H)(N[6]C[5a,6]H)2(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]N[6]H)(H)	H(C[6,6]C[6,6]N[6]2)	C[6,6](C[6,6]N[6]2H)(N[6]C[5a,6]H)2(H){2|C<3>,2|H<1>,2|N<2>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]N[6]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>,2|N<3>}	H(C[6,6]C[6,6]N[6]2)	108.8030	0.000	1	108.8030	0.000	1	108.8030	0.000	1	108.1967	0.287	3	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:3:3:1:	3:4:4:	4:	C[6,6]-4:N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:S-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]H)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.8740	0.328	3	107.8740	0.108	3	107.8740	0.108	3	107.8740	0.108	3	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6]H)(N[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	109.1435	0.012	2	109.1435	0.000	2	109.1435	0.000	2	109.1435	0.000	2	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:3:3:1:	4:3:3:	4:	C[3x6]-4:N[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]N)(N[6]C[6,6]C[6a])(N[6]C[6]C)(H)	N[6](C[6,6]C[3x6]N[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	H(C[6,6]C[3x6]N[6]2)	C[6,6](C[3x6]C[3x6]C[6,6]N)(N[6]C[6,6]C[6a])(N[6]C[6]C)(H){3|C<4>,4|C<3>,4|H<1>}	N[6](C[6,6]C[3x6]N[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|N<3>,3|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[3x6]N[6]2)	107.7450	0.000	1	107.7450	0.000	1	107.7450	0.000	1	107.9987	0.615	3	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:N[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]OO)(N[6]C[6a]C[6])(C[6]C[6]H)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]OO)(N[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]N[6])	108.8780	0.000	1	108.8780	0.000	1	108.8780	0.000	1	107.9987	0.615	3	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:N[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6,6]-4:	C[6,6](C[6]C[6a]2C[6])(N[6,6]C[6]2)(N[6]C[6]C)(H)	N[6](C[6,6]N[6,6]C[6]H)(C[6]N[6]O)(CCH)	H(C[6,6]N[6,6]C[6]N[6])	C[6,6](C[6]C[6a]2C[6])(N[6,6]C[6]2)(N[6]C[6]C)(H){2|N<3>,2|O<1>,4|C<3>,4|H<1>}	N[6](C[6,6]N[6,6]C[6]H)(C[6]N[6]O)(CCH){3|C<3>,3|C<4>}	H(C[6,6]N[6,6]C[6]N[6])	107.3730	0.000	1	107.3730	0.000	1	107.3730	0.000	1	107.9987	0.615	3	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:3:3:1:	4:3:4:	4:	C[5,6,6]-4:N[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[6,6]C[5]2)(N[6]C[6]C)2(H)	N[6](C[6,6]C[5,6,6]N[6]H)(C[6]N[6]O)(CN[6]HH)	H(C[6,6]C[5,6,6]N[6]2)	C[6,6](C[5,6,6]C[6,6]C[5]2)(N[6]C[6]C)2(H){2|C<4>,2|N<3>,2|O<2>,5|H<1>}	N[6](C[6,6]C[5,6,6]N[6]H)(C[6]N[6]O)(CN[6]HH){1|C<3>,5|C<4>}	H(C[6,6]C[5,6,6]N[6]2)	108.8028	0.390	18	108.8028	0.152	18	108.8028	0.152	18	108.4598	0.154	54	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:3:3:1:	4:3:4:	4:	C[6,6]-4:C[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]N[6]O)(N[6]C[6]C)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2C)(C[6]N[6]O)(N[6]C[6]C)(H){1|O<1>,3|C<3>,4|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH){1|N<3>,2|O<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]N[6])	109.2100	0.000	1	109.2100	0.000	1	109.2100	0.000	1	108.4598	0.154	54	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:3:3:1:	4:3:4:	4:	C[6,6]-4:N[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CC)(N[6]C[6]C)2(H)	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CN[5]HH)	H(C[6,6]C[6,6]N[6]2)	C[6,6](C[6,6]C[6,6]CC)(N[6]C[6]C)2(H){1|H<1>,2|N<3>,2|O<1>}	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CN[5]HH){1|C<3>,5|C<4>}	H(C[6,6]C[6,6]N[6]2)	108.2888	0.145	6	108.2888	0.021	6	108.2620	0.045	35	108.4598	0.154	54	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:3:3:1:	4:3:4:	4:	C[6,6]-4:N[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CC)(N[6]C[6]C)2(H)	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CN[6]HH)	H(C[6,6]C[6,6]N[6]2)	C[6,6](C[6,6]C[6,6]CC)(N[6]C[6]C)2(H){1|H<1>,2|N<3>,2|O<1>}	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CN[6]HH){1|C<3>,5|C<4>}	H(C[6,6]C[6,6]N[6]2)	108.2168	0.202	26	108.2168	0.041	26	108.2620	0.045	35	108.4598	0.154	54	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:3:3:1:	4:3:4:	4:	C[6,6]-4:N[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6]C)2(H)	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CC[6a]HH)	H(C[6,6]C[6,6]N[6]2)	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6]C)2(H){1|H<1>,2|N<3>,2|O<1>}	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CC[6a]HH){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]N[6]2)	108.5340	0.000	1	108.5340	0.000	1	108.2620	0.045	35	108.4598	0.154	54	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:3:3:1:	4:3:4:	4:	C[6,6]-4:N[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6]C)2(H)	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CN[6]HH)	H(C[6,6]C[6,6]N[6]2)	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6]C)2(H){1|H<1>,2|N<3>,2|O<1>}	N[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CN[6]HH){1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]N[6]2)	108.6335	0.011	2	108.6335	0.000	2	108.2620	0.045	35	108.4598	0.154	54	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:3:3:1:	4:4:3:	4:	C[6,6]-4:C[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]O)(N[6]C[6]C)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(CC[6a]O)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]O)(N[6]C[6]C)(H){2|C<4>,5|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(CC[6a]O){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]N[6])	110.1110	0.000	1	110.1110	0.000	1	109.2273	2.940	3	109.2273	2.940	3	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:3:3:1:	4:4:3:	4:	C[6,6]-4:C[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]O)(N[6]C[6]C)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(COO)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]O)(N[6]C[6]C)(H){2|C<4>,5|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(COO){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]N[6])	110.3200	0.000	1	110.3200	0.000	1	109.2273	2.940	3	109.2273	2.940	3	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:3:3:1:	4:4:3:	4:	C[6,6]-4:C[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6a]O)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(N[6]C[6]C)(H){1|O<2>,3|C<4>,5|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6a]O){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.2510	0.000	1	107.2510	0.000	1	109.2273	2.940	3	109.2273	2.940	3	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:3:4:1:	3:4:1:	4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(N[6]C[5a,6]H)(C[6]C[6]HH)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]C[6]C)(N[6]C[5a,6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]N[6])	106.7100	0.000	1	106.7100	0.000	1	106.7100	0.000	1	108.6766	1.238	5	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:3:4:1:	3:4:1:	4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HO)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HO)(H){1|O<2>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	109.0877	0.140	3	109.0877	0.020	3	109.1683	0.039	4	108.6766	1.238	5	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:3:4:1:	3:4:1:	4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]H)(C[6]C[6]HO)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]H)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,2|N<3>,2|O<2>}	H(C[6,6]C[6,6]C[6]N[6])	109.4100	0.000	1	109.4100	0.000	1	109.1683	0.039	4	108.6766	1.238	5	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:3:4:1:	3:4:3:	4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a]C)(C[6]C[6]CH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CC[6a]O)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a]C)(C[6]C[6]CH)(H){1|C<4>,2|C<3>,6|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CC[6a]O){2|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]N[6])	106.6470	0.000	1	106.6470	0.000	1	106.4737	0.031	3	106.4737	0.031	3	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:3:4:1:	3:4:3:	4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]C)(C[6]C[6]HO)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CCO)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a]C)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CCO){1|C<4>,1|N<2>,1|O<1>,2|H<1>,2|N<3>,2|O<2>}	H(C[6,6]C[6,6]C[6]N[6])	106.3870	0.130	2	106.3870	0.017	2	106.4737	0.031	3	106.4737	0.031	3	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:3:4:1:	3:4:4:	4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(C[6]C[6]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CC[6a]HH)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(C[6]C[6]HH)(H){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CC[6a]HH){2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.4610	0.000	1	108.4610	0.000	1	104.9383	33.812	7	104.0511	44.342	9	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:3:4:1:	3:4:4:	4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(C[6]C[6]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(C[6]C[6]HH)(H){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3){2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.8510	0.000	1	107.8510	0.000	1	104.9383	33.812	7	104.0511	44.342	9	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:3:4:1:	3:4:4:	4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]C)(C[6]C[6]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]C)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	103.6512	6.590	5	103.6512	43.423	5	104.9383	33.812	7	104.0511	44.342	9	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:3:4:1:	3:4:4:	4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:S-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	92.9751	0.000	1	100.9460	127.072	2	100.9460	127.072	2	104.0511	44.342	9	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:3:4:1:	3:4:4:	4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:S-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H){1|S<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.9170	0.000	1	100.9460	127.072	2	100.9460	127.072	2	104.0511	44.342	9	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:3:4:1:	4:3:1:	4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6]H)(C[6]C[6]OO)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6]H)(C[6]C[6]OO)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.4750	0.000	1	108.4750	0.000	1	108.4750	0.000	1	108.5655	0.016	2	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:3:4:1:	4:3:1:	4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HO)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6,6a]2)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]H)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6,6a]2)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.6560	0.000	1	108.6560	0.000	1	108.6560	0.000	1	108.5655	0.016	2	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:3:4:1:	4:3:3:	4:	C[5,6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(N[6]C[6a]C[6])(C[6]C[6]HH)(H)	N[6](C[6,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)	H(C[6,6]C[5,6,6]C[6]N[6])	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(N[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	N[6](C[6,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	H(C[6,6]C[5,6,6]C[6]N[6])	107.5140	0.000	1	107.5140	0.000	1	107.5140	0.000	1	107.5140	0.000	1	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:3:4:1:	4:3:4:	4:	C[5,6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(N[6]C[6,6a]C)(C[6]C[6]HH)(H)	N[6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]HH)	H(C[6,6]C[5,6,6]C[6]N[6])	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(N[6]C[6,6a]C)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]HH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[6]N[6])	107.9420	0.000	1	107.9420	0.000	1	107.9420	0.000	1	107.9420	0.000	1	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:4:3:1:	3:4:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6]HO)(N[6]C[6,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6]HO)(N[6]C[6,6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,2|N<3>,2|O<2>}	H(C[6,6]C[6,6]C[6]N[6])	108.4790	0.000	1	108.4790	0.000	1	108.4790	0.000	1	108.4790	0.000	1	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:4:3:1:	4:3:1:	4:	C[5,5,6]-4:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[5,5,6]C[5,5,6]N[5]O[5])(C[6,6]C[6,6]HH)(N[6]C[6]H)(H)	N[6](C[6,6]C[5,5,6]C[6,6]H)(C[6]C[6]O)(H)	H(C[6,6]C[5,5,6]C[6,6]N[6])	C[6,6](C[5,5,6]C[5,5,6]N[5]O[5])(C[6,6]C[6,6]HH)(N[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	N[6](C[6,6]C[5,5,6]C[6,6]H)(C[6]C[6]O)(H){2|Cl<1>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[5,5,6]C[6,6]N[6])	108.9120	0.000	1	108.9120	0.000	1	108.9120	0.000	1	108.8259	1.299	14	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[5,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H)	N[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]O)(H)	H(C[6,6]C[5,6]C[6,6]N[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	N[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]O)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[5,6]C[6,6]N[6])	109.7420	0.000	1	109.7420	0.000	1	109.7420	0.000	1	108.8259	1.299	14	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<1>,3|C<4>,5|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){4|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.1180	0.000	1	107.1180	0.000	1	108.7424	1.451	12	108.8259	1.299	14	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]N[6])	109.0770	0.000	1	109.0770	0.000	1	108.7424	1.451	12	108.8259	1.299	14	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]N[6])	108.1920	0.000	1	108.1920	0.000	1	108.7424	1.451	12	108.8259	1.299	14	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HO)(N[6]C[6]H)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HO)(N[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	110.1550	2.345	2	110.1550	5.498	2	108.7424	1.451	12	108.8259	1.299	14	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]S)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>,6|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]S)(H){3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.7585	0.177	2	107.7585	0.032	2	108.7424	1.451	12	108.8259	1.299	14	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H){2|C<4>,2|N<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.9920	0.345	2	108.9920	0.119	2	108.7424	1.451	12	108.8259	1.299	14	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.3990	0.000	1	108.9037	0.563	3	108.7424	1.451	12	108.8259	1.299	14	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<1>,2|C<4>,5|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	109.7660	0.000	1	108.9037	0.563	3	108.7424	1.451	12	108.8259	1.299	14	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:4:3:1:	4:3:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<1>,2|C<4>,5|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.5460	0.000	1	108.9037	0.563	3	108.7424	1.451	12	108.8259	1.299	14	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:4:3:1:	4:3:4:	4:	C[6,6]-4:C[5,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(H)	N[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]O)(CC[6a]HH)	H(C[6,6]C[5,6]C[6,6]N[6])	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]O)(CC[6a]HH){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6,6]C[5,6]C[6,6]N[6])	106.3200	0.000	1	106.3200	0.000	1	106.3200	0.000	1	108.1354	1.564	8	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:4:3:1:	4:3:4:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]ClH)(C[6]C[6]CH)(N[6]C[6]C)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]ClH)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CCHH){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.6170	0.190	4	108.6170	0.036	4	108.6414	0.030	5	108.1354	1.564	8	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:4:3:1:	4:3:4:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]OO)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CCHH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]N[6])	108.7390	0.000	1	108.7390	0.000	1	108.6414	0.030	5	108.1354	1.564	8	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:4:3:1:	4:3:4:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-3:S-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(N[6]C[6]S)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(SC[6a]OO)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(N[6]C[6]S)(H){1|O<1>,2|C<3>,2|C<4>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(SC[6a]OO){1|C<3>,1|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	109.5100	0.000	1	109.5100	0.000	1	107.7780	6.000	2	108.1354	1.564	8	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:4:3:1:	4:3:4:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-3:S-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]S)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(SC[6a]OO)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|O<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(SC[6a]OO){1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	106.0460	0.000	1	106.0460	0.000	1	107.7780	6.000	2	108.1354	1.564	8	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<2>,2|C<4>,7|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H){2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]N[6])	106.6230	0.000	1	106.6230	0.000	1	108.0075	3.834	2	108.0075	3.834	2	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,2|C<4>,7|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H){1|N<4>,2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	109.3920	0.000	1	109.3920	0.000	1	108.0075	3.834	2	108.0075	3.834	2	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:4:3:1:	4:4:2:	4:	C[5x6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-2:	C[6,6]-4:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CN)	H(C[6,6]C[5x6]C[6]N[6])	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){3|C<3>,3|C<4>,5|H<1>}	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CN){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[5x6]C[6]N[6])	108.3340	0.000	1	108.3340	0.000	1	108.3340	0.000	1	108.3340	0.000	1	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:4:3:1:	4:4:3:	4:	C[3x6]-4:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(N[6]C[6]2)(H)	N[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6,6]HH)(C[6]C[6,6a]O)	H(C[6,6]C[3x6]C[6,6]N[6])	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(N[6]C[6]2)(H){1|C<3>,1|O<1>,3|C<4>,7|H<1>}	N[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6,6]HH)(C[6]C[6,6a]O){1|N<4>,2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]N[6])	107.9380	0.000	1	107.9380	0.000	1	107.9380	0.000	1	107.2570	1.046	13	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:4:3:1:	4:4:3:	4:	C[5,6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CC[6a]O)	H(C[6,6]C[5,6,6]C[6]N[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<1>,5|C<4>,6|H<1>}	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CC[6a]O){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[6]N[6])	105.2010	0.000	1	105.2010	0.000	1	106.9825	6.347	2	107.2570	1.046	13	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:4:3:1:	4:4:3:	4:	C[5,6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]N[5,6]C[6a])(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(COO)	H(C[6,6]C[5,6,6]C[6]N[6])	C[6,6](C[5,6,6]C[5,6]N[5,6]C[6a])(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(COO){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[6]N[6])	108.7640	0.000	1	108.7640	0.000	1	106.9825	6.347	2	107.2570	1.046	13	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6a]O)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6a]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	106.6960	0.000	1	106.6960	0.000	1	107.2751	0.687	9	107.2570	1.046	13	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(COO)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){1|Cl<1>,1|C<3>,2|C<4>,6|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(COO){3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.0395	0.067	2	107.0395	0.005	2	107.2751	0.687	9	107.2570	1.046	13	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCO)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){4|C<4>,6|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCO){3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.1890	0.000	1	107.1890	0.000	1	107.2751	0.687	9	107.2570	1.046	13	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<4>,8|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.1490	1.270	2	107.4870	2.121	3	107.2751	0.687	9	107.2570	1.046	13	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){4|C<4>,6|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	106.1630	0.000	1	107.4870	2.121	3	107.2751	0.687	9	107.2570	1.046	13	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]N[5]H)(N[6]C[6]C)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCO)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]N[5]H)(N[6]C[6]C)(H){1|N<3>,3|C<4>,6|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCO){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.0070	0.000	1	107.0070	0.000	1	107.2751	0.687	9	107.2570	1.046	13	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]N[5]H)(N[6]C[6]C)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCO)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]N[6,6]HH)(C[6]C[6]N[5]H)(N[6]C[6]C)(H){4|C<4>,4|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCO){1|C<4>,2|N<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.0440	0.000	1	108.0440	0.000	1	107.2751	0.687	9	107.2570	1.046	13	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:P-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]P)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(POO)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]P)(H){2|C<4>,8|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(POO){3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	106.9620	0.000	1	106.9620	0.000	1	106.9620	0.000	1	107.2570	1.046	13	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[5,6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:S-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HO)(N[6]C[6]S)(H)	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(SCOO)	H(C[6,6]C[5,6,6]C[6]N[6])	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HO)(N[6]C[6]S)(H){1|O<2>,3|C<4>,4|H<1>}	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(SCOO){2|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[5,6,6]C[6]N[6])	109.7450	0.109	2	109.7450	0.012	2	109.7450	0.012	2	109.7450	0.012	2	108.2348	3.136	242	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[3x6]	H	3:4:1:1:	3:5:4:	4:	N[3x6]-3:C[6]-4:H-1:H-1:	C[3x6,6a]-3:C[4,4,6,6]-5:C[6]-4:	C[6]-4:	C[6](N[3x6]C[4,4,6,6]C[3x6,6a])(C[6]C[6]HH)(H)2	N[3x6](C[3x6,6a]C[6,6,6a]C[6,6a])(C[4,4,6,6]C[3x4,6]2HH)(C[6]C[6]HH)	H(C[6]N[3x6]C[6]H)	C[6](N[3x6]C[4,4,6,6]C[3x6,6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	N[3x6](C[3x6,6a]C[6,6,6a]C[6,6a])(C[4,4,6,6]C[3x4,6]2HH)(C[6]C[6]HH){1|H<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]N[3x6]C[6]H)	107.8700	2.353	2	107.8700	5.538	2	107.8700	5.538	2	107.8700	5.538	2	107.8700	5.538	2	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:2:1:1:	3:4:4:	4:	N[6,6]-3:N[6]-2:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6,6])(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(C[6]N[6]HH)	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6,6])(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(C[6]N[6]HH){1|C<4>,1|H<1>,4|C<3>}	H(C[6]N[6,6]N[6]H)	109.1280	0.813	2	109.1280	0.661	2	109.1280	0.661	2	109.1280	0.661	2	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:2:1:1:	4:4:3:	4:	N[6,6]-3:S[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(S[6]C[6])(H)2	N[6,6](C[6,6]C[6]2H)(C[6]S[6]HH)(C[6]C[6]O)	H(C[6]N[6,6]S[6]H)	C[6](N[6,6]C[6,6]C[6])(S[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]S[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]N[6,6]S[6]H)	109.1994	0.227	5	109.1994	0.052	5	109.1994	0.052	5	109.1994	0.052	5	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]HH)(C[6]C[6]N)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|H<1>,2|C<3>,2|C<4>,2|N<2>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]HH)(C[6]C[6]N){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6,6]H)	109.3660	0.079	2	109.3660	0.006	2	109.3660	0.006	2	109.6674	0.078	5	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:1:	3:4:3:	4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])2(H)2	N[6,6](C[6,6]C[6]N[6])(C[6]N[6,6]HH)(C[6]C[6]H)	H(C[6]N[6,6]2H)	C[6](N[6,6]C[6,6]C[6])2(H)2{1|N<2>,2|H<1>,4|C<3>}	N[6,6](C[6,6]C[6]N[6])(C[6]N[6,6]HH)(C[6]C[6]H){2|H<1>,3|C<3>}	H(C[6]N[6,6]2H)	109.8683	0.048	3	109.8683	0.002	3	109.8683	0.002	3	109.6674	0.078	5	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:1:	3:4:4:	4:	C[5a,6]-3:N[6,6]-3:H-1:H-1:	C[5a,6]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6,6]C[5a,6]C[6,6])(H)2	N[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]N[6,6]HH)(C[6]C[5a,6]HH)	H(C[6]C[5a,6]N[6,6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6,6]C[5a,6]C[6,6])(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>,3|N<3>}	N[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]N[6,6]HH)(C[6]C[5a,6]HH){1|C<4>,1|N<2>,4|C<3>}	H(C[6]C[5a,6]N[6,6]H)	109.8120	0.025	3	109.8120	0.001	3	109.8120	0.001	3	108.9029	0.713	168	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:1:	3:4:4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]HH)(C[6]C[6]HH)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]HH)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]N[6,6]H)	109.0010	0.033	2	109.0010	0.001	2	109.0010	0.001	2	108.9029	0.713	168	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:1:	3:4:4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	N[6,6](C[6,6a]C[6,6a]2)(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]2)(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){2|C<4>,4|C<3>}	H(C[6]C[6,6a]N[6,6]H)	108.5812	0.137	22	108.5812	0.019	22	108.9021	0.816	140	108.9029	0.713	168	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:1:	3:4:4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|Br<1>,1|N<3>,2|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6,6]H)	109.3335	0.009	2	108.9828	0.950	114	108.9021	0.816	140	108.9029	0.713	168	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:1:	3:4:4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|F<1>,1|N<3>,2|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|F<1>,4|C<3>}	H(C[6]C[6,6a]N[6,6]H)	108.1980	2.086	2	108.9828	0.950	114	108.9021	0.816	140	108.9029	0.713	168	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:1:	3:4:4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|Br<1>,1|C<4>,4|C<3>}	H(C[6]C[6,6a]N[6,6]H)	109.0802	0.097	12	108.9828	0.950	114	108.9021	0.816	140	108.9029	0.713	168	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:1:	3:4:4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6,6]H)	108.9711	1.123	62	108.9828	0.950	114	108.9021	0.816	140	108.9029	0.713	168	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:1:	3:4:4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|N<3>,4|C<3>}	H(C[6]C[6,6a]N[6,6]H)	108.9638	1.045	22	108.9828	0.950	114	108.9021	0.816	140	108.9029	0.713	168	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:1:	3:4:4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|S<3>,4|C<3>}	H(C[6]C[6,6a]N[6,6]H)	108.9215	0.289	8	108.9828	0.950	114	108.9021	0.816	140	108.9029	0.713	168	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:1:	3:4:4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|Se<2>,1|C<4>,4|C<3>}	H(C[6]C[6,6a]N[6,6]H)	109.0185	0.024	4	108.9828	0.950	114	108.9021	0.816	140	108.9029	0.713	168	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:1:	3:4:4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<4>,3|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6,6]H)	109.5810	0.027	2	108.9828	0.950	114	108.9021	0.816	140	108.9029	0.713	168	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:1:	3:4:4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	N[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,5|C<3>}	H(C[6]C[6,6a]N[6,6]H)	108.3570	0.942	2	108.3570	0.887	2	108.9021	0.816	140	108.9029	0.713	168	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:1:	3:4:4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6a]C[6,6])(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,2|H<1>,5|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6,6]H)	108.3725	0.780	2	108.3725	0.608	2	108.9021	0.816	140	108.9029	0.713	168	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:1:	3:4:4:	4:	N[6,6]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]2)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]N[6,6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]2)(H)2{2|H<1>,2|N<3>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6,6]H)	108.6500	0.095	20	108.6500	0.009	20	108.6500	0.009	20	108.9029	0.713	168	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:1:	3:4:4:	4:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]N)(H)2	N[6,6](C[6,6]C[6]N[6])(C[6]N[6]HH)2	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]N)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	N[6,6](C[6,6]C[6]N[6])(C[6]N[6]HH)2{2|C<4>,4|N<3>}	H(C[6]N[6,6]N[6]H)	109.6533	0.181	3	109.6533	0.033	3	109.6533	0.033	3	108.9029	0.713	168	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:1:	4:3:3:	4:	C[6,6]-3:N[6,6]-3:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]N[6,6]C[6])(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]H)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]N[6,6]C[6])(N[6,6]C[6,6]C[6])(H)2{1|C<4>,2|H<1>,4|C<3>}	N[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6,6]N[6,6]H)	109.6255	0.036	4	109.6255	0.001	4	109.6255	0.001	4	109.3770	0.117	7	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2)(C[6]C[6]O)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6,6]H)	109.1895	0.013	2	109.0457	0.062	3	109.0457	0.062	3	109.3770	0.117	7	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2)(C[6]C[6]O)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2)(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]N[6,6]H)	108.7580	0.000	1	109.0457	0.062	3	109.0457	0.062	3	109.3770	0.117	7	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:1:	4:3:4:	4:	N[6,6]-3:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H)2	N[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	H(C[6]N[6,6]C[6]H)	109.2392	0.046	4	109.2392	0.002	4	109.2392	0.002	4	108.8428	0.543	12	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:1:	4:3:4:	4:	N[6,6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2{1|O<1>,2|H<1>,3|C<4>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	108.1505	0.538	2	108.1505	0.290	2	108.6445	0.718	8	108.8428	0.543	12	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:1:	4:3:4:	4:	N[6,6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2	N[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]O)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	N[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	108.8092	0.904	6	108.8092	0.817	6	108.6445	0.718	8	108.8428	0.543	12	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:1:	4:4:3:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]O)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]O){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6,6]H)	107.8365	3.565	2	107.8365	12.706	2	108.0980	5.221	4	108.6445	1.456	14	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:1:	4:4:3:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]O[6]O)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]O[6]O){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6,6]H)	108.3595	1.638	2	108.3595	2.684	2	108.0980	5.221	4	108.6445	1.456	14	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]S[6]S)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<1>,1|S<2>,2|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]S[6]S){1|C<4>,2|H<1>,3|C<3>}	H(C[6]N[6,6]C[6]H)	109.0450	0.038	2	109.0450	0.001	2	108.7449	0.042	9	108.6445	1.456	14	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]O)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,2|N<3>,2|O<1>,3|H<1>}	H(C[6]N[6,6]C[6]H)	108.5320	0.013	2	108.6591	0.017	7	108.7449	0.042	9	108.6445	1.456	14	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]O)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]O)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,2|N<3>,2|O<1>,3|H<1>}	H(C[6]N[6,6]C[6]H)	108.7100	0.118	5	108.6591	0.017	7	108.7449	0.042	9	108.6445	1.456	14	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:3:1:1:	4:4:3:	4:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	N[6,6](C[6,6]C[6]N[6]H)(C[6]N[6]HH)(C[6]N[6]O)	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|N<3>,2|O<1>}	N[6,6](C[6,6]C[6]N[6]H)(C[6]N[6]HH)(C[6]N[6]O){3|C<4>,4|C<3>}	H(C[6]N[6,6]N[6]H)	109.9270	0.000	1	109.9270	0.000	1	109.9270	0.000	1	108.6445	1.456	14	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:3:3:1:	3:4:3:	4:	N[6,6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6a]N[6]H)(C[6]C[6]H)	H(C[6]N[6,6]C[6a]N[6])	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H){2|H<1>,6|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6a]N[6]H)(C[6]C[6]H){1|N<3>,2|H<1>,2|N<2>,3|C<3>}	H(C[6]N[6,6]C[6a]N[6])	106.7610	0.000	1	106.7610	0.000	1	106.7610	0.000	1	106.7610	0.000	1	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6,6a]N[6])(C[6]C[6]H)	H(C[6]C[6,6a]N[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6,6a]N[6])(C[6]C[6]H){1|H<1>,6|C<3>}	H(C[6]C[6,6a]N[6,6]C[6a])	108.6220	0.000	1	108.6220	0.000	1	108.6220	0.000	1	107.6517	0.737	3	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:3:3:1:	4:3:3:	4:	N[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	H(C[6]N[6,6]C[6a]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,3|H<1>,5|C<3>}	H(C[6]N[6,6]C[6a]C[6])	107.1665	0.250	2	107.1665	0.062	2	107.1665	0.062	2	107.6517	0.737	3	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:3:3:1:	4:3:4:	4:	C[6,6a]-3:N[6,6]-3:C[5a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[5a]C[5a]S[5a])(H)	N[6,6](C[6]C[6,6a]C[5a]H)(C[6,6]C[6,6a]N[6])(C[6]C[6]HH)	H(C[6]C[6,6a]N[6,6]C[5a])	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[5a]C[5a]S[5a])(H){1|C<4>,1|N<2>,1|O<1>,2|N<3>,3|C<3>,3|H<1>}	N[6,6](C[6]C[6,6a]C[5a]H)(C[6,6]C[6,6a]N[6])(C[6]C[6]HH){1|S<2>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]N[6,6]C[5a])	108.3870	0.264	2	108.3870	0.070	2	108.3870	0.070	2	108.1352	0.072	5	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:3:3:1:	4:3:4:	4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[5a,6]N[6])(C[6]C[6]HH)	H(C[6]C[6,6a]N[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,5|C<3>,5|H<1>}	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[5a,6]N[6])(C[6]C[6]HH){1|N<3>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]N[6,6]C[6a])	107.9390	0.000	1	107.9390	0.000	1	107.9840	0.004	2	108.1352	0.072	5	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:3:3:1:	4:3:4:	4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6,6a]N[6])(C[6]C[6]HH)	H(C[6]C[6,6a]N[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,5|C<3>,5|H<1>}	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6,6a]N[6])(C[6]C[6]HH){2|H<1>,6|C<3>}	H(C[6]C[6,6a]N[6,6]C[6a])	108.0290	0.000	1	108.0290	0.000	1	107.9840	0.004	2	108.1352	0.072	5	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:3:3:1:	4:3:4:	4:	C[6,6a]-3:N[6,6]-3:N-3:H-1:	C[3x6]-4:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[3x6])(NC[6a]H)(H)	N[6,6](C[3x6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)	H(C[6]C[6,6a]N[6,6]N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[3x6])(NC[6a]H)(H){1|N<3>,2|H<1>,5|C<3>}	N[6,6](C[3x6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN){1|C<4>,1|H<1>,6|C<3>}	H(C[6]C[6,6a]N[6,6]N)	107.9340	0.000	1	107.9340	0.000	1	107.9340	0.000	1	108.1352	0.072	5	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:3:3:1:	4:4:3:	4:	C[5a,6]-3:N[6,6]-3:C-3:H-1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(CCH)(H)	N[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2H)(C[6]C[5,6]O)	H(C[6]C[5a,6]N[6,6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(CCH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2H)(C[6]C[5,6]O){1|C<3>,1|C<4>,1|O<1>,2|N<3>,3|H<1>}	H(C[6]C[5a,6]N[6,6]C)	109.2710	0.000	1	109.2710	0.000	1	108.5580	1.017	2	108.6837	0.261	6	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:3:3:1:	4:4:3:	4:	C[5a,6]-3:N[6,6]-3:C-3:H-1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(CCH)(H)	N[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2O)(C[6]C[5,6]O)	H(C[6]C[5a,6]N[6,6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(CCH)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>}	N[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2O)(C[6]C[5,6]O){1|C<3>,1|C<4>,1|H<1>,2|N<3>,2|O<1>}	H(C[6]C[5a,6]N[6,6]C)	107.8450	0.000	1	107.8450	0.000	1	108.5580	1.017	2	108.6837	0.261	6	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:3:3:1:	4:4:3:	4:	C[5a,6]-3:N[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	N[6,6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]2H)(C[6]C[6]O)	H(C[6]C[5a,6]N[6,6]C[6a])	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	N[6,6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]2H)(C[6]C[6]O){1|O<1>,2|N<3>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]N[6,6]C[6a])	108.8883	0.021	3	108.8883	0.000	3	108.8883	0.000	3	108.6837	0.261	6	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:3:3:1:	4:4:3:	4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]2H)(C[6]C[6]O)	H(C[6]C[6,6a]N[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]2H)(C[6]C[6]O){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]N[6,6]C[6a])	108.3210	0.000	1	108.3210	0.000	1	108.3210	0.000	1	108.6837	0.261	6	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:3:4:1:	3:4:3:	4:	C[6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6a]C[5a,6a]N[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]H)	H(C[6]N[6,6]C[6a]C[6])	C[6](C[6a]C[5a,6a]N[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	N[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]N[6,6]C[6a]C[6])	108.1460	0.000	1	108.1460	0.000	1	108.1460	0.000	1	108.1460	0.000	1	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:3:4:1:	3:4:4:	4:	C[6,6a]-3:N[6,6]-3:C-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(CCHH)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]CH)	H(C[6]C[6,6a]N[6,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(CCHH)(H){1|N<3>,3|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]CH){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6,6]C)	105.5690	0.000	1	105.5690	0.000	1	105.5690	0.000	1	105.5690	0.000	1	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:3:4:1:	4:3:4:	4:	N[6,6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[5a]C[5a]O[5a])(C[6]C[6]HN)(H)	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH)	H(C[6]N[6,6]C[5a]C[6])	C[6](N[6,6]C[6,6]C[6])(C[5a]C[5a]O[5a])(C[6]C[6]HN)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[5a]C[6])	108.9120	0.000	1	108.9120	0.000	1	108.9120	0.000	1	108.2465	0.886	2	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:3:4:1:	4:3:4:	4:	N[6,6]-3:C[6]-3:C-4:H-1:	C[6,6]-4:C[6,6,6a]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6,6a]C[6,6])(C[6]C[6]H)(CH3)(H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]CH)	H(C[6]N[6,6]C[6]C)	C[6](N[6,6]C[6,6,6a]C[6,6])(C[6]C[6]H)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]CH){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	H(C[6]N[6,6]C[6]C)	107.5810	0.000	1	107.5810	0.000	1	107.5810	0.000	1	108.2465	0.886	2	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:3:4:1:	4:4:3:	4:	C[5a,6]-3:N[6,6]-3:C-4:H-1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(CCHH)(H)	N[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2O)(C[6]C[5,6]O)	H(C[6]C[5a,6]N[6,6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(CCHH)(H){1|O<1>,1|O<2>,3|C<3>,3|C<4>}	N[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2O)(C[6]C[5,6]O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	H(C[6]C[5a,6]N[6,6]C)	109.4720	0.000	1	109.4720	0.000	1	109.4720	0.000	1	108.2883	1.391	3	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:3:4:1:	4:4:3:	4:	N[6,6]-3:C[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(CHHO)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)	H(C[6]N[6,6]C[6]C)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(CHHO)(H){1|H<1>,1|O<1>,4|C<4>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|C<4>,7|H<1>}	H(C[6]N[6,6]C[6]C)	108.2800	0.000	1	108.2800	0.000	1	108.2800	0.000	1	108.2883	1.391	3	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:3:4:1:	4:4:3:	4:	N[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6,6]O)	H(C[6]N[6,6]C[6a]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6,6]O){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]N[6,6]C[6a]C[6])	107.1130	0.000	1	107.1130	0.000	1	107.1130	0.000	1	108.2883	1.391	3	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:3:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	N[6,6](C[6,6]C[5,6]N[6])(C[6]C[6,6a]O)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{1|N<3>,1|O<1>,3|C<3>}	N[6,6](C[6,6]C[5,6]N[6])(C[6]C[6,6a]O)(C[6]C[6]HH){1|Pt<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[6]N[6,6]C[6]H)	109.2600	0.000	1	109.2600	0.000	1	109.2027	0.797	35	109.1628	1.371	47	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:3:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]N[6])(C[6]C[6,6a]O)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|N<3>,1|O<1>,3|C<3>}	N[6,6](C[6,6]C[5a,6]N[6])(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]N[6,6]C[6]H)	109.1523	0.066	6	109.1523	0.004	6	109.2027	0.797	35	109.1628	1.371	47	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:3:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]H)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]H)(C[6]C[6]HH){3|H<1>,4|C<3>}	H(C[6]N[6,6]C[6]H)	109.4873	0.233	17	109.4873	0.054	17	109.2027	0.797	35	109.1628	1.371	47	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:3:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6a]N[6])(C[6]C[3,6]O)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	N[6,6](C[6,6]C[6,6a]N[6])(C[6]C[3,6]O)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	H(C[6]N[6,6]C[6]H)	109.5995	0.026	2	109.5995	0.001	2	109.2027	0.797	35	109.1628	1.371	47	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:3:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]O)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	H(C[6]N[6,6]C[6]H)	109.3567	0.014	3	109.3567	0.000	3	109.2027	0.797	35	109.1628	1.371	47	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:3:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]S)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<2>,1|S<1>,2|C<3>,2|H<1>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]S)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]N[6,6]C[6]H)	109.6670	0.033	2	109.6670	0.001	2	109.2027	0.797	35	109.1628	1.371	47	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:3:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]S[6])(C[6]C[6,6a]O)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|O<1>,1|S<2>,2|H<1>}	N[6,6](C[6,6]N[6]S[6])(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]N[6,6]C[6]H)	107.5087	2.042	4	107.5087	4.168	4	109.2027	0.797	35	109.1628	1.371	47	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:3:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(C[6]C[6]HH){2|C<3>,2|C<4>,6|H<1>}	H(C[6]N[6,6]C[6]H)	109.6590	0.030	2	109.6590	0.001	2	109.6955	0.004	6	109.1628	1.371	47	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:3:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|N<2>}	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	H(C[6]N[6,6]C[6]H)	109.6530	0.018	2	109.7138	0.005	4	109.6955	0.004	6	109.1628	1.371	47	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:3:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|N<2>}	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	H(C[6]N[6,6]C[6]H)	109.7745	0.036	2	109.7138	0.005	4	109.6955	0.004	6	109.1628	1.371	47	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:3:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-3:N[6,6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6]N[5,6]O)(N[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6,6](C[6]N[5,6]O)(N[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	109.7400	0.021	2	109.5745	0.037	4	109.5745	0.037	4	109.1628	1.371	47	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:3:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-3:N[6,6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6]N[5,6]O)(N[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6,6](C[6]N[5,6]O)(N[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	109.4090	0.006	2	109.5745	0.037	4	109.5745	0.037	4	109.1628	1.371	47	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:3:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](N[6,6]C[6]P[6])(C[6]N[6,6]O)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,1|P<4>,2|H<1>}	N[6,6](N[6,6]C[6]P[6])(C[6]N[6,6]O)(C[6]C[6]HH){1|N<3>,1|O<2>,1|S<1>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	106.0420	3.735	2	106.0420	13.950	2	106.0420	13.950	2	109.1628	1.371	47	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]N[6,6]2)(C[6]C[6]HH)(C[6]O[6]O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,2|N<3>}	N[6,6](C[3x6]N[6,6]2)(C[6]C[6]HH)(C[6]O[6]O){1|Si<4>,2|H<1>,3|C<4>}	H(C[6]N[6,6]C[6]H)	109.8640	0.023	2	109.8640	0.001	2	109.8640	0.001	2	109.5104	1.045	191	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[5,6,6]C[5,6]2)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6,6](C[5,6,6]C[5,6]2)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,3|H<1>,5|C<4>}	H(C[6]N[6,6]C[6]H)	109.2570	0.017	2	109.2570	0.000	2	109.2570	0.000	2	109.5104	1.045	191	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6,6a]C[6,6a]N[6,6a])(C[6]C[6]HH)(C[6]N[6]O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,2|N<3>}	N[6,6](C[6,6,6a]C[6,6a]N[6,6a])(C[6]C[6]HH)(C[6]N[6]O){2|C<4>,2|H<1>,3|C<3>}	H(C[6]N[6,6]C[6]H)	109.9325	0.025	2	109.9325	0.001	2	108.8301	1.538	21	109.5104	1.045	191	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6,6a]C[6])(C[6]N[6,6]HH)(H)2	N[6,6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]N[6,6]HH)(H)2{1|H<1>,4|C<3>}	N[6,6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	H(C[6]N[6,6]C[6]H)	107.9105	1.437	4	107.9105	2.065	4	108.8301	1.538	21	109.5104	1.045	191	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6,6a]C[6])(C[6]N[6,6a]HH)(H)2	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(C[6]C[6]C)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]N[6,6a]HH)(H)2{1|C<4>,4|C<3>}	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(C[6]C[6]C){1|N<3>,3|C<3>,3|H<1>}	H(C[6]N[6,6]C[6]H)	109.6305	0.029	2	109.6305	0.001	2	108.8301	1.538	21	109.5104	1.045	191	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6,6a]C[6])(C[6]N[6,6a]HH)(H)2	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]N[6,6a]HH)(H)2{1|H<1>,4|C<3>}	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]N[6,6]C[6]H)	110.0350	0.000	1	108.8204	1.455	13	108.8301	1.538	21	109.5104	1.045	191	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6,6a]C[6])(C[6]N[6,6a]HH)(H)2	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]N[6,6a]HH)(H)2{1|H<1>,4|C<3>}	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	H(C[6]N[6,6]C[6]H)	108.7192	1.201	12	108.8204	1.455	13	108.8301	1.538	21	109.5104	1.045	191	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6]HH)(C[6]C[6]2)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{5|C<3>}	N[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6]HH)(C[6]C[6]2){1|N<3>,2|C<3>,2|N<2>,4|H<1>}	H(C[6]N[6,6]C[6]H)	108.8345	0.028	2	108.8345	0.001	2	109.5941	1.003	157	109.5104	1.045	191	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]2)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	N[6,6](C[6,6]C[6,6a]2)(C[6]C[6]HH)(C[6]C[6]H){3|H<1>,4|C<3>}	H(C[6]N[6,6]C[6]H)	109.4798	0.818	61	109.4798	0.670	61	109.5941	1.003	157	109.5104	1.045	191	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]C)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{5|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]C){3|C<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.7748	0.052	6	109.7748	0.003	6	109.5941	1.003	157	109.5104	1.045	191	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H){3|C<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.8879	0.178	24	109.8879	0.032	24	109.5941	1.003	157	109.5104	1.045	191	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]N)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|N<2>,4|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]N){2|C<2>,2|H<1>,3|C<3>}	H(C[6]N[6,6]C[6]H)	109.4615	0.026	2	109.4615	0.001	2	109.5941	1.003	157	109.5104	1.045	191	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)(C[6]C[6]C)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	H(C[6]N[6,6]C[6]H)	109.2470	0.024	2	109.2470	0.001	2	109.5941	1.003	157	109.5104	1.045	191	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<4>,2|C<3>,3|H<1>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.3545	0.036	2	109.3545	0.001	2	109.5941	1.003	157	109.5104	1.045	191	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]N)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|N<3>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]N){2|C<2>,2|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	109.0395	0.013	2	109.0395	0.000	2	109.5941	1.003	157	109.5104	1.045	191	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,2|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.7095	0.012	2	109.7095	0.000	2	109.5941	1.003	157	109.5104	1.045	191	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]S[6])(C[6]C[6]HH)(C[6]C[6]N)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	N[6,6](C[6,6]C[6]S[6])(C[6]C[6]HH)(C[6]C[6]N){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	108.8260	0.011	2	108.8260	0.000	2	109.5941	1.003	157	109.5104	1.045	191	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|N<4>,3|H<1>}	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,3|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	109.3995	0.005	2	109.3995	0.000	2	109.5941	1.003	157	109.5104	1.045	191	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2{1|N<3>,2|H<1>,3|C<3>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.1370	0.030	2	109.1370	0.001	2	109.5941	1.003	157	109.5104	1.045	191	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]N[6,6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6,6]HH)(H)2{1|H<1>,4|C<3>}	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]N[6,6]C[6]H)	109.9655	0.035	4	109.7090	2.298	48	109.5941	1.003	157	109.5104	1.045	191	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]N[6,6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6,6]HH)(H)2{1|H<1>,4|C<3>}	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.6857	1.583	44	109.7090	2.298	48	109.5941	1.003	157	109.5104	1.045	191	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O){1|C<2>,1|O<1>,3|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	109.7025	0.098	2	109.6143	0.008	9	109.6143	0.008	9	109.5104	1.045	191	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O){1|N<2>,1|O<1>,3|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	109.6700	0.082	2	109.6143	0.008	9	109.6143	0.008	9	109.5104	1.045	191	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	109.5407	0.069	3	109.6143	0.008	9	109.6143	0.008	9	109.5104	1.045	191	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	109.5810	0.040	2	109.6143	0.008	9	109.6143	0.008	9	109.5104	1.045	191	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[5,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6,6a]C[6])(C[5,6]C[5,6]C[5]H)(H)2	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[5,6]HH)2	H(C[6]C[5,6]N[6,6]H)	C[6](N[6,6]C[6,6,6a]C[6])(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[5,6]HH)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]N[6,6]H)	109.2167	0.043	4	109.2167	0.002	4	109.2167	0.002	4	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	B[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]B[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](B[6,6]N[6]2)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]B[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	N[6,6](B[6,6]N[6]2)(C[6]C[6]HH)2{2|C<4>,2|P<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.5358	0.320	6	109.4052	0.038	29	109.4052	0.038	29	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	B[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]B[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](B[6,6]N[6]2)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]B[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	N[6,6](B[6,6]N[6]2)(C[6]C[6]HH)2{2|C<4>,2|P<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.3711	0.141	23	109.4052	0.038	29	109.4052	0.038	29	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[6,6]2)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6,6](C[3x6]C[6,6]2)(C[6]C[6]HH)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.2470	0.004	2	109.2470	0.000	2	109.3080	0.087	13	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]N[6,6]2)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	N[6,6](C[3x6]N[6,6]2)(C[6]C[6]HH)2{1|Si<4>,1|C<3>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.2230	0.046	3	109.3191	0.104	11	109.3080	0.087	13	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]N[6,6]2)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	N[6,6](C[3x6]N[6,6]2)(C[6]C[6]HH)2{2|B<4>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.3551	0.377	8	109.3191	0.104	11	109.3080	0.087	13	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-3:Si[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]Si[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]N[6,6]2)(Si[6]O[6]CC)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]Si[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>,2|N<3>}	N[6,6](C[3x6]N[6,6]2)(Si[6]O[6]CC)(C[6]C[6]HH){1|C<3>,2|H<1>,3|C<4>}	H(C[6]N[6,6]C[6]H)	109.8450	0.000	1	109.8450	0.000	1	109.8450	0.000	1	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[4,6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[4,6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[4,6,6]N[4,6]2)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[4,6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	N[6,6](C[4,6,6]N[4,6]2)(C[6]C[6]HH)2{1|S<2>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	106.6223	0.568	3	106.6223	0.323	3	106.6223	0.323	3	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[5,6,6]N[5,6]2)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	N[6,6](C[5,6,6]N[5,6]2)(C[6]C[6]HH)2{2|B<4>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.5306	0.157	17	109.5306	0.025	17	109.5306	0.025	17	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6,6a]C[6,6a,6a]2)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6,6](C[6,6,6a]C[6,6a,6a]2)(C[6]C[6]HH)2{4|C<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.5553	0.036	4	109.5553	0.001	4	109.1093	0.845	162	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.0614	0.973	140	109.0980	0.862	158	109.1093	0.845	162	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.3823	0.357	18	109.0980	0.862	158	109.1093	0.845	162	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|C<4>,2|N<3>,4|H<1>}	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{2|Mo<5>,6|C<4>}	H(C[6]N[6,6]C[6]H)	109.3652	0.092	5	109.3652	0.008	5	109.1716	0.623	386	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]HH)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]HH)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	H(C[6]N[6,6]C[6]H)	108.7995	0.074	2	108.7995	0.006	2	109.1716	0.623	386	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.4236	0.351	9	109.1710	0.633	379	109.1716	0.623	386	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Cu<4>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.3723	0.219	7	109.1710	0.633	379	109.1716	0.623	386	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Pd<4>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.4642	0.209	12	109.1710	0.633	379	109.1716	0.623	386	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Si<4>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.7387	0.123	4	109.1710	0.633	379	109.1716	0.623	386	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{2|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	108.0560	2.628	2	109.1710	0.633	379	109.1716	0.623	386	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Al<4>,3|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.6512	0.421	13	109.1710	0.633	379	109.1716	0.623	386	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|B<3>,3|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.9557	0.108	4	109.1710	0.633	379	109.1716	0.623	386	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.0473	0.693	19	109.1710	0.633	379	109.1716	0.623	386	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Cu<2>,1|Si<4>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	107.0195	1.834	4	109.1710	0.633	379	109.1716	0.623	386	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Cu<2>,3|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	108.6090	1.599	4	109.1710	0.633	379	109.1716	0.623	386	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Cu<3>,2|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.3290	0.051	4	109.1710	0.633	379	109.1716	0.623	386	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Cu<3>,3|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.0930	0.206	8	109.1710	0.633	379	109.1716	0.623	386	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Cu<4>,1|Si<5>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.0674	0.224	8	109.1710	0.633	379	109.1716	0.623	386	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Fe<4>,3|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.2303	0.106	7	109.1710	0.633	379	109.1716	0.623	386	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Ir<6>,1|C<3>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.3423	0.553	4	109.1710	0.633	379	109.1716	0.623	386	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Li<4>,2|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.5503	0.248	7	109.1710	0.633	379	109.1716	0.623	386	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Mo<6>,2|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.2248	0.189	4	109.1710	0.633	379	109.1716	0.623	386	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Pd<4>,3|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.2548	0.150	15	109.1710	0.633	379	109.1716	0.623	386	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Re<6>,1|C<3>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.2435	0.371	15	109.1710	0.633	379	109.1716	0.623	386	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Ru<6>,1|C<3>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.2531	0.467	10	109.1710	0.633	379	109.1716	0.623	386	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Ru<7>,1|Si<4>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	108.8934	0.789	43	109.1710	0.633	379	109.1716	0.623	386	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Ru<8>,1|Si<4>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.4446	0.136	11	109.1710	0.633	379	109.1716	0.623	386	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Ru<9>,1|Si<4>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.2909	0.163	15	109.1710	0.633	379	109.1716	0.623	386	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|W<6>,2|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	108.0241	1.971	12	109.1710	0.633	379	109.1716	0.623	386	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Zn<4>,2|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.5810	0.286	4	109.1710	0.633	379	109.1716	0.623	386	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{2|C<4>,6|H<1>}	H(C[6]N[6,6]C[6]H)	109.1053	1.054	36	109.1710	0.633	379	109.1716	0.623	386	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{2|Pd<5>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.3716	0.247	15	109.1710	0.633	379	109.1716	0.623	386	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{2|Ru<5>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.4200	0.203	33	109.1710	0.633	379	109.1716	0.623	386	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{2|Si<4>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	108.9230	0.057	4	109.1710	0.633	379	109.1716	0.623	386	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{2|Zn<4>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.2472	0.187	8	109.1710	0.633	379	109.1716	0.623	386	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{3|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.4352	0.282	17	109.1710	0.633	379	109.1716	0.623	386	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{4|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	108.7030	1.553	10	109.1710	0.633	379	109.1716	0.623	386	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|C<4>,3|H<1>}	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{2|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	108.7375	0.664	2	109.1710	0.633	379	109.1716	0.623	386	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,3|H<1>}	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{2|C<4>,6|H<1>}	H(C[6]N[6,6]C[6]H)	109.4031	0.160	9	109.1710	0.633	379	109.1716	0.623	386	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:S[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]S[6])(C[6]C[5,6]CH)(H)2	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(S[6]O[6]OO)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]S[6])(C[6]C[5,6]CH)(H)2{1|O<2>,2|O<1>,4|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(S[6]O[6]OO){1|C<4>,2|H<1>,3|C<3>}	H(C[6]N[6,6]C[6]H)	109.8353	0.224	3	109.8353	0.050	3	109.8353	0.050	3	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:S[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]S[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]N[6])(S[6]C[6,6a]OO)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]S[6])(C[6]C[6,6a]HH)(H)2{1|N<2>,2|O<1>,3|C<3>}	N[6,6](C[6,6]C[6,6a]N[6])(S[6]C[6,6a]OO)(C[6]C[6]HH){2|H<1>,4|C<3>}	H(C[6]N[6,6]C[6]H)	109.7105	0.032	2	109.7105	0.001	2	109.7105	0.001	2	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[3x6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6a]C[3x6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[3x6]N[6,6]2H)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[3x6])(C[6]C[6]HH)(H)2{2|C<3>,2|N<3>,3|H<1>}	N[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[3x6]N[6,6]2H)(C[6]C[6]HH){3|C<3>,3|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	108.9710	0.399	2	108.9710	0.159	2	108.9710	0.159	2	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]N[6]H)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]N[6]H)(C[6]C[6]HH){1|N<3>,4|C<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.2365	0.025	2	109.2365	0.001	2	108.8866	3.382	27	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	H(C[6]N[6,6]C[6]H)	108.4502	4.279	4	108.4502	18.311	4	108.8866	3.382	27	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH){1|C<4>,3|H<1>,5|C<3>}	H(C[6]N[6,6]C[6]H)	108.1160	1.572	4	108.3536	2.581	10	108.8866	3.382	27	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH){1|N<3>,3|H<1>,5|C<3>}	H(C[6]N[6,6]C[6]H)	109.3585	0.056	2	108.3536	2.581	10	108.8866	3.382	27	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH){1|S<4>,4|C<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	106.2660	0.013	2	108.3536	2.581	10	108.8866	3.382	27	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH){2|C<4>,3|H<1>,4|C<3>}	H(C[6]N[6,6]C[6]H)	109.9115	0.040	2	108.3536	2.581	10	108.8866	3.382	27	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]H)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{1|O<2>,3|C<3>,3|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]H)(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	H(C[6]N[6,6]C[6]H)	109.7080	0.065	2	109.7080	0.004	2	108.8866	3.382	27	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<2>,2|C<4>,3|C<3>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.3470	0.031	2	109.3470	0.001	2	108.8866	3.382	27	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	H(C[6]N[6,6]C[6]H)	109.4820	0.007	2	109.4820	0.000	2	108.8866	3.382	27	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]O[6]HH)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]O[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.5190	1.399	2	109.5190	1.956	2	108.8866	3.382	27	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]O[6]HH)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]O[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.2485	0.015	2	109.2485	0.000	2	108.8866	3.382	27	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]O[6]HH)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]O[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<2>,1|C<4>,1|O<2>,3|C<3>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.5200	0.000	1	109.5200	0.000	1	108.8866	3.382	27	109.1604	0.765	649	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:3:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	B[5,6,6]-4:C[3x6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]B[5,6,6]C[3x6])(C[6]C[6]HH)(H)2	N[6,6](B[5,6,6]O[5,6,6]N[6,6]O[5])(C[3x6]N[6,6]2)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]B[5,6,6]C[3x6])(C[6]C[6]HH)(H)2{1|O<2>,1|O<3>,2|H<1>,3|N<3>}	N[6,6](B[5,6,6]O[5,6,6]N[6,6]O[5])(C[3x6]N[6,6]2)(C[6]C[6]HH){1|B<4>,2|H<1>,3|C<3>,4|C<4>}	H(C[6]N[6,6]C[6]H)	109.6520	0.350	3	109.6520	0.123	3	109.6520	0.123	3	109.2775	1.129	98	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:3:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	B[5,6,6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]B[5,6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](B[5,6,6]C[5,6a]N[5,6]O[6])(C[6]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]B[5,6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	N[6,6](B[5,6,6]C[5,6a]N[5,6]O[6])(C[6]C[6,6a]C[6a])(C[6]C[6]HH){2|C<4>,2|H<1>,6|C<3>}	H(C[6]N[6,6]C[6]H)	110.1765	0.012	2	110.1765	0.000	2	110.1765	0.000	2	109.2775	1.129	98	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:3:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	B[6,6]-4:C[3x6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]B[6,6]C[3x6])(C[6]C[6]HH)(H)2	N[6,6](B[6,6]O[5,6,6]N[6,6]O)(C[3x6]N[6,6]2)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]B[6,6]C[3x6])(C[6]C[6]HH)(H)2{1|O<2>,1|O<3>,2|H<1>,3|N<3>}	N[6,6](B[6,6]O[5,6,6]N[6,6]O)(C[3x6]N[6,6]2)(C[6]C[6]HH){1|B<4>,2|C<3>,2|H<1>,4|C<4>}	H(C[6]N[6,6]C[6]H)	109.7563	0.039	3	109.7563	0.002	3	109.7563	0.002	3	109.2775	1.129	98	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:3:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	B[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]B[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](B[6,6]O[6]2O)(C[6]C[6,6a]H)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]B[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,3|O<2>}	N[6,6](B[6,6]O[6]2O)(C[6]C[6,6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]N[6,6]C[6]H)	109.8760	0.030	2	109.8760	0.001	2	109.8760	0.001	2	109.2775	1.129	98	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:3:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]C[6,6]O)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	N[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]C[6,6]O)(C[6]C[6]HH){4|H<1>,5|C<4>}	H(C[6]N[6,6]C[6]H)	109.6050	0.000	1	109.6050	0.000	1	109.6050	0.000	1	109.2775	1.129	98	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:3:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2	N[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6]N[6])(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6]N[6])(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.3990	0.011	2	109.3990	0.000	2	109.3990	0.000	2	109.2775	1.129	98	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:3:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]N[6])(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	N[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]N[6])(C[6]C[6]HH){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.5760	0.013	2	109.5760	0.000	2	109.5000	0.010	12	109.2775	1.129	98	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:3:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.5875	0.059	4	109.4848	0.011	10	109.5000	0.010	12	109.2775	1.129	98	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:3:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.3450	0.024	2	109.4848	0.011	10	109.5000	0.010	12	109.2775	1.129	98	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:3:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	H(C[6]N[6,6]C[6]H)	109.4520	0.014	4	109.4848	0.011	10	109.5000	0.010	12	109.2775	1.129	98	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:3:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,3|H<1>,6|C<3>}	H(C[6]N[6,6]C[6]H)	109.4055	0.006	2	109.4055	0.000	2	109.4055	0.000	2	109.2775	1.129	98	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:3:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	N[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	N[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	109.9565	0.013	2	109.9565	0.000	2	109.1708	1.648	61	109.2775	1.129	98	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:3:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,5,6]O)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,5,6]O)(C[6]C[6]HH){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	107.0485	1.119	2	107.0485	1.253	2	109.1708	1.648	61	109.2775	1.129	98	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:3:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.7490	0.150	4	109.7490	0.023	4	109.1708	1.648	61	109.2775	1.129	98	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:3:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]H)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.6970	0.031	2	109.6970	0.001	2	109.1708	1.648	61	109.2775	1.129	98	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:3:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[3,6]O)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[3,6]O)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]N[6,6]C[6]H)	110.1515	0.076	2	110.1515	0.006	2	109.1708	1.648	61	109.2775	1.129	98	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:3:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	107.6575	0.470	2	109.3785	1.208	8	109.1708	1.648	61	109.2775	1.129	98	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:3:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]N[6,6]C[6]H)	110.1112	0.090	4	109.3785	1.208	8	109.1708	1.648	61	109.2775	1.129	98	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:3:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.6340	0.076	2	109.3785	1.208	8	109.1708	1.648	61	109.2775	1.129	98	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:3:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH){4|C<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	108.6870	1.950	12	108.6870	3.802	12	109.1708	1.648	61	109.2775	1.129	98	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:3:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<1>,4|C<3>}	N[6,6](C[6,6]C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	H(C[6]N[6,6]C[6]H)	109.8410	0.011	2	109.8410	0.000	2	109.1708	1.648	61	109.2775	1.129	98	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:3:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]O)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|O<1>,3|C<4>,3|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]O)(C[6]C[6]HH){5|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.1040	0.009	4	109.1040	0.000	4	109.1708	1.648	61	109.2775	1.129	98	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:3:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH){4|C<4>,6|H<1>}	H(C[6]N[6,6]C[6]H)	110.2935	1.340	2	110.2935	1.796	2	109.1708	1.648	61	109.2775	1.129	98	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:3:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]HH){1|C<3>,3|C<4>,6|H<1>}	H(C[6]N[6,6]C[6]H)	108.4698	1.616	5	108.7446	1.961	7	109.1708	1.648	61	109.2775	1.129	98	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:3:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]HH){4|C<4>,6|H<1>}	H(C[6]N[6,6]C[6]H)	109.4315	0.021	2	108.7446	1.961	7	109.1708	1.648	61	109.2775	1.129	98	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:3:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]O)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	N[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]O)(C[6]C[6]HH){1|C<3>,3|C<4>,6|H<1>}	H(C[6]N[6,6]C[6]H)	108.8813	1.271	6	108.8813	1.615	6	109.1708	1.648	61	109.2775	1.129	98	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:3:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]C[6])(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]C[6])(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.3485	0.005	2	109.3485	0.000	2	109.1708	1.648	61	109.2775	1.129	98	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:3:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.6400	0.011	2	109.6400	0.000	2	109.1708	1.648	61	109.2775	1.129	98	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:3:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]N[6,6]C[6]H)	109.5703	0.835	4	109.5703	0.697	4	109.1708	1.648	61	109.2775	1.129	98	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:3:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[5a,6]N[6])(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|N<2>,4|C<3>}	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[5a,6]N[6])(C[6]C[6]HH){1|N<3>,2|H<1>,5|C<3>}	H(C[6]N[6,6]C[6]H)	107.8190	0.014	2	107.8190	0.000	2	109.0233	0.519	10	109.2775	1.129	98	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:3:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6]C[6,6a]C[5a]H)(C[6,6]C[6,6a]N[6])(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,4|C<3>}	N[6,6](C[6]C[6,6a]C[5a]H)(C[6,6]C[6,6a]N[6])(C[6]C[6]HH){1|S<2>,2|H<1>,5|C<3>}	H(C[6]N[6,6]C[6]H)	109.4727	0.186	4	109.4727	0.034	4	109.0233	0.519	10	109.2775	1.129	98	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:3:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6,6a]N[6])(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,4|C<3>}	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6,6a]N[6])(C[6]C[6]HH){2|H<1>,6|C<3>}	H(C[6]N[6,6]C[6]H)	108.7400	0.030	2	108.7400	0.001	2	109.0233	0.519	10	109.2775	1.129	98	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:3:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.6120	0.030	2	109.6120	0.001	2	109.0233	0.519	10	109.2775	1.129	98	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:4:3:	4:	N[6,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	H(C[6]C[6,6]N[6,6]H)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2{1|N<4>,1|O<1>,4|C<4>,4|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){4|C<4>,6|H<1>}	H(C[6]C[6,6]N[6,6]H)	109.3650	0.045	2	109.3650	0.002	2	109.3650	0.002	2	109.4783	0.250	138	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>,2|N<3>}	N[6,6](C[3x6]N[6,6]C[6]2)(C[6]C[6]HH)(C[6]N[6]O){1|S<4>,3|C<4>,7|H<1>}	H(C[6]N[6,6]C[6]H)	109.5735	0.023	2	109.5735	0.001	2	109.6575	0.010	4	109.4783	0.250	138	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|N<3>,1|O<1>,4|C<4>}	N[6,6](C[3x6]C[3x6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]O){2|N<3>,3|H<1>,4|C<4>}	H(C[6]N[6,6]C[6]H)	109.7415	0.012	2	109.7415	0.000	2	109.6575	0.010	4	109.4783	0.250	138	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.0165	0.025	2	109.5426	0.133	7	109.5426	0.133	7	109.4783	0.250	138	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.7155	0.022	2	109.5426	0.133	7	109.5426	0.133	7	109.4783	0.250	138	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,4|C<4>,8|H<1>}	H(C[6]N[6,6]C[6]H)	109.7780	0.100	3	109.5426	0.133	7	109.5426	0.133	7	109.4783	0.250	138	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,5,6]HH)(H)2	N[6,6](C[6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,5,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	N[6,6](C[6,6]C[5,5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6]N[6,6]C[6]H)	109.2995	0.021	2	109.2995	0.000	2	109.4708	0.268	125	109.4783	0.250	138	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]C){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.2615	0.057	2	109.2615	0.003	2	109.4708	0.268	125	109.4783	0.250	138	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.6068	0.098	4	109.6068	0.010	4	109.4708	0.268	125	109.4783	0.250	138	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|O<1>,2|C<4>,3|C<3>}	N[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,3|C<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.4870	0.011	2	109.4870	0.000	2	109.4708	0.268	125	109.4783	0.250	138	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	H(C[6]N[6,6]C[6]H)	108.3035	1.708	2	109.1836	0.753	8	109.4708	0.268	125	109.4783	0.250	138	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.6160	0.053	3	109.1836	0.753	8	109.4708	0.268	125	109.4783	0.250	138	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.3380	0.289	3	109.1836	0.753	8	109.4708	0.268	125	109.4783	0.250	138	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]N[6]O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]HH)(C[6]N[6]O){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	107.1315	0.016	2	107.1315	0.000	2	109.4708	0.268	125	109.4783	0.250	138	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.2517	0.083	3	109.3490	0.016	7	109.4708	0.268	125	109.4783	0.250	138	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,3|C<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.4220	0.105	4	109.3490	0.016	7	109.4708	0.268	125	109.4783	0.250	138	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,2|C<3>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.0540	0.387	2	109.1588	0.450	14	109.4708	0.268	125	109.4783	0.250	138	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.3847	0.253	4	109.1588	0.450	14	109.4708	0.268	125	109.4783	0.250	138	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.2145	0.037	2	109.1588	0.450	14	109.4708	0.268	125	109.4783	0.250	138	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.8300	0.689	2	109.1588	0.450	14	109.4708	0.268	125	109.4783	0.250	138	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]N[6,6]C[6]H)	108.6217	0.956	4	109.1588	0.450	14	109.4708	0.268	125	109.4783	0.250	138	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]O[6]C)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	N[6,6](C[6,6]C[5a,6]O[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.4305	0.025	2	109.4305	0.001	2	109.4708	0.268	125	109.4783	0.250	138	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]H){2|C<4>,2|H<1>,4|C<3>}	H(C[6]N[6,6]C[6]H)	109.8125	0.029	2	109.8125	0.001	2	109.4708	0.268	125	109.4783	0.250	138	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.6628	0.068	4	109.8324	0.068	24	109.4708	0.268	125	109.4783	0.250	138	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.6478	0.268	4	109.8324	0.068	24	109.4708	0.268	125	109.4783	0.250	138	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	H(C[6]N[6,6]C[6]H)	110.0515	0.019	2	109.8324	0.068	24	109.4708	0.268	125	109.4783	0.250	138	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	H(C[6]N[6,6]C[6]H)	110.1352	0.056	4	109.8324	0.068	24	109.4708	0.268	125	109.4783	0.250	138	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,2|C<3>,6|H<1>}	H(C[6]N[6,6]C[6]H)	109.8092	0.261	10	109.8324	0.068	24	109.4708	0.268	125	109.4783	0.250	138	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	109.7820	0.000	1	109.7820	0.000	1	109.4708	0.268	125	109.4783	0.250	138	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	N[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]O){3|C<4>,6|H<1>}	H(C[6]N[6,6]C[6]H)	109.2260	0.007	2	109.3915	0.037	4	109.4708	0.268	125	109.4783	0.250	138	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	N[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|N<4>,1|O<2>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]O){3|C<4>,7|H<1>}	H(C[6]N[6,6]C[6]H)	109.5570	0.030	2	109.3915	0.037	4	109.4708	0.268	125	109.4783	0.250	138	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]S)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|S<1>,4|H<1>}	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]N[6]S){1|C<3>,2|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	110.2900	0.004	2	110.2900	0.000	2	109.4708	0.268	125	109.4783	0.250	138	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.6447	0.100	27	109.5954	0.026	31	109.4708	0.268	125	109.4783	0.250	138	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|H<1>,2|O<1>,3|C<4>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,2|C<3>,7|H<1>}	H(C[6]N[6,6]C[6]H)	109.3380	0.062	2	109.5954	0.026	31	109.4708	0.268	125	109.4783	0.250	138	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O){1|O<2>,2|C<4>,7|H<1>}	H(C[6]N[6,6]C[6]H)	109.1870	0.013	2	109.5954	0.026	31	109.4708	0.268	125	109.4783	0.250	138	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]Pd)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Pd<4>,1|N<3>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]Pd){1|C<3>,2|C<4>,6|H<1>}	H(C[6]N[6,6]C[6]H)	109.4605	0.023	2	109.4605	0.001	2	109.4708	0.268	125	109.4783	0.250	138	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]N[6,6]C[6]H)	109.5560	0.038	2	109.4702	0.010	4	109.4708	0.268	125	109.4783	0.250	138	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O){1|O<2>,2|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.3845	0.015	2	109.4702	0.010	4	109.4708	0.268	125	109.4783	0.250	138	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]S[6]H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|S<2>,3|H<1>}	N[6,6](C[6,6]C[6]S[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	109.2613	0.090	6	109.2613	0.008	6	109.4708	0.268	125	109.4783	0.250	138	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]N[6,6]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(C[6]O[6]O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(C[6]O[6]O){1|N<3>,3|C<3>,3|H<1>}	H(C[6]N[6,6]C[6]H)	109.5715	0.136	2	109.5715	0.019	2	109.4708	0.268	125	109.4783	0.250	138	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,1|S<2>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.1410	0.197	4	109.1410	0.039	4	109.4708	0.268	125	109.4783	0.250	138	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2Sm)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Sm<14>,1|C<4>,2|N<3>,4|H<1>}	N[6,6](C[6,6]N[6]2Sm)(C[6]C[6]HH)2{2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	108.6985	0.710	4	108.6985	0.505	4	108.8035	2.448	27	108.8035	2.448	27	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2Ta)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Ta<7>,1|C<4>,2|N<3>,4|H<1>}	N[6,6](C[6,6]N[6]2Ta)(C[6]C[6]HH)2{2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.7638	0.532	4	109.7638	0.283	4	108.8035	2.448	27	108.8035	2.448	27	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2U)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|U<14>,1|C<4>,2|N<3>,4|H<1>}	N[6,6](C[6,6]N[6]2U)(C[6]C[6]HH)2{2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.0061	1.183	15	108.6235	3.162	19	108.8035	2.448	27	108.8035	2.448	27	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2U)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|U<15>,1|C<4>,2|N<3>,4|H<1>}	N[6,6](C[6,6]N[6]2U)(C[6]C[6]HH)2{2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	107.1887	2.994	4	108.6235	3.162	19	108.8035	2.448	27	108.8035	2.448	27	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	5:3:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	Ga[3x6]-5:C[6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]Ga[3x6]C[6])(C[6]C[6]CC)(H)2	N[6,6](Ga[3x6]N[6,6]O[6]2Cl)(C[6]C[6,6a]H)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]Ga[3x6]C[6])(C[6]C[6]CC)(H)2{1|Cl<1>,1|C<3>,1|N<3>,2|O<2>,3|H<1>}	N[6,6](Ga[3x6]N[6,6]O[6]2Cl)(C[6]C[6,6a]H)(C[6]C[6]HH){3|C<4>,4|C<3>}	H(C[6]N[6,6]C[6]H)	109.0650	0.573	3	109.0650	0.328	3	109.0650	0.328	3	109.0650	0.328	3	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	5:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	Ga[3x6]-5:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]Ga[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](Ga[3x6]N[6,6]O[6]2Cl)(C[6]C[6]HH)(C[6]C[6]C)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]Ga[3x6]C[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	N[6,6](Ga[3x6]N[6,6]O[6]2Cl)(C[6]C[6]HH)(C[6]C[6]C){1|C<4>,3|C<3>,3|H<1>}	H(C[6]N[6,6]C[6]H)	109.3533	0.138	3	109.3533	0.019	3	109.3533	0.019	3	109.1936	0.052	11	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:1:1:	5:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	In[3x6]-5:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]In[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](In[3x6]N[6,6]O[6]2Cl)(C[6]C[6]HH)(C[6]C[6]C)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]In[3x6]C[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	N[6,6](In[3x6]N[6,6]O[6]2Cl)(C[6]C[6]HH)(C[6]C[6]C){1|C<4>,3|C<3>,3|H<1>}	H(C[6]N[6,6]C[6]H)	109.1338	0.232	8	109.1338	0.054	8	109.1338	0.054	8	109.1936	0.052	11	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:2:1:	3:3:4:	4:	N[6,6]-3:C[6]-4:O-2:H-1:	C[6]-3:N[6,6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(OC)(H)	N[6,6](C[6]C[5,6]O)(N[6,6]C[6]2)(C[6]C[6]HO)	H(C[6]N[6,6]C[6]O)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6,6](C[6]C[5,6]O)(N[6,6]C[6]2)(C[6]C[6]HO){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]O)	108.9680	0.000	1	108.9680	0.000	1	108.9680	0.000	1	108.9680	0.000	1	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:2:1:	3:4:3:	4:	N[6,6]-3:C[6]-4:N-2:H-1:	N[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(NN)(H)	N[6,6](N[6,6]C[6]2)(C[6]C[6]HN)(C[6]C[6]O)	H(C[6]N[6,6]C[6]N)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(NN)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6,6](N[6,6]C[6]2)(C[6]C[6]HN)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]N)	109.2485	0.552	2	109.2485	0.305	2	109.2485	0.305	2	109.4768	0.173	4	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:2:1:	3:4:3:	4:	N[6,6]-3:C[6]-4:O-2:H-1:	N[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(OC)(H)	N[6,6](N[6,6]C[6]2)(C[6]C[6]HO)(C[6]C[6]O)	H(C[6]N[6,6]C[6]O)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(OC)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6,6](N[6,6]C[6]2)(C[6]C[6]HO)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]O)	109.7050	0.074	2	109.7050	0.005	2	109.7050	0.005	2	109.4768	0.173	4	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:3:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:C-3:H-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]O[6]HH)(COO)(H)	N[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6]C[6]CH)(C[6]C[6]O)	H(C[6]N[6,6]C[6]C)	C[6](N[6,6]C[3x6]C[6])(C[6]O[6]HH)(COO)(H){1|O<1>,2|C<3>,2|C<4>}	N[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	H(C[6]N[6,6]C[6]C)	107.6140	0.000	1	107.6140	0.000	1	107.6140	0.000	1	107.9807	2.177	3	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:3:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(COO)(H)	N[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O)	H(C[6]N[6,6]C[6]C)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(COO)(H){1|O<1>,2|C<3>,3|C<4>}	N[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	H(C[6]N[6,6]C[6]C)	109.6050	0.000	1	109.6050	0.000	1	108.1640	4.153	2	107.9807	2.177	3	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:3:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(COO)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)	H(C[6]N[6,6]C[6]C)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(COO)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	H(C[6]N[6,6]C[6]C)	106.7230	0.000	1	106.7230	0.000	1	108.1640	4.153	2	107.9807	2.177	3	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:4:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H)	N[6,6](C[6]C[3,6,6]O)(C[6,6]C[6]2H)(C[6]C[6]CH)	H(C[6]N[6,6]C[6]C)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	N[6,6](C[6]C[3,6,6]O)(C[6,6]C[6]2H)(C[6]C[6]CH){1|O<2>,3|C<4>,6|H<1>}	H(C[6]N[6,6]C[6]C)	107.0150	0.000	1	107.0150	0.000	1	107.0150	0.000	1	107.0150	0.000	1	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:4:1:	4:3:4:	4:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]CH)	H(C[6]N[6,6]C[6]C)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]O)(C[6]C[6]CH){1|C<3>,1|N<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]C)	109.1290	0.000	1	109.1290	0.000	1	108.0515	2.322	2	108.0515	2.322	2	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:4:1:	4:3:4:	4:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]CH)	H(C[6]N[6,6]C[6]C)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]O)(C[6]C[6]CH){1|N<3>,3|C<4>,6|H<1>}	H(C[6]N[6,6]C[6]C)	106.9740	0.000	1	106.9740	0.000	1	108.0515	2.322	2	108.0515	2.322	2	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:4:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:C-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6,6a]HH)(CHHO)(H)	N[6,6](C[5,6,6]C[6,6a]C[5,6]C[5])(C[6]C[6]CH)(C[6]C[6]O)	H(C[6]N[6,6]C[6]C)	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6,6a]HH)(CHHO)(H){1|O<1>,2|C<3>,3|C<4>}	N[6,6](C[5,6,6]C[6,6a]C[5,6]C[5])(C[6]C[6]CH)(C[6]C[6]O){2|C<3>,3|C<4>,7|H<1>}	H(C[6]N[6,6]C[6]C)	107.9970	0.000	1	107.9970	0.000	1	107.9970	0.000	1	107.4376	1.110	8	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:4:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)	H(C[6]N[6,6]C[6]C)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]C)	106.9783	1.688	3	106.9783	2.849	3	107.3577	1.236	7	107.4376	1.110	8	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:4:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(CHHO)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)	H(C[6]N[6,6]C[6]C)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(CHHO)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]C)	107.8460	0.000	1	107.8460	0.000	1	107.3577	1.236	7	107.4376	1.110	8	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:4:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCHH)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)	H(C[6]N[6,6]C[6]C)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCHH)(H){1|O<1>,3|C<4>,3|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O){1|Cl<1>,2|C<4>,7|H<1>}	H(C[6]N[6,6]C[6]C)	108.0240	0.000	1	107.9610	0.008	2	107.3577	1.236	7	107.4376	1.110	8	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:4:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCHH)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O)	H(C[6]N[6,6]C[6]C)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCHH)(H){1|O<1>,3|C<4>,3|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]O){2|C<4>,8|H<1>}	H(C[6]N[6,6]C[6]C)	107.8980	0.000	1	107.9610	0.008	2	107.3577	1.236	7	107.4376	1.110	8	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	3:4:4:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CHHO)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]S)	H(C[6]N[6,6]C[6]C)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CHHO)(H){1|S<1>,2|H<1>,4|C<4>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]S){2|C<4>,8|H<1>}	H(C[6]N[6,6]C[6]C)	106.8010	0.000	1	106.8010	0.000	1	107.3577	1.236	7	107.4376	1.110	8	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	4:3:1:1:	3:4:3:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]O)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|C<4>,1|N<4>,1|O<2>,2|C<3>,4|H<1>}	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]O){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]N[6,6]H)	108.6552	0.026	4	108.6552	0.001	4	107.0090	6.530	6	107.0090	6.530	6	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	4:3:1:1:	3:4:3:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]S)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|C<4>,1|N<3>,1|S<1>,2|C<3>,4|H<1>}	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]S){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]N[6,6]H)	103.7165	0.356	2	103.7165	0.127	2	107.0090	6.530	6	107.0090	6.530	6	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	4:3:1:1:	4:4:3:	4:	C[3,5,6]-4:N[6,6]-3:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6]-4:	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6]C[3,5,6]HH)(C[6,6]C[6]2H)(C[6]C[6]O)	H(C[6]C[3,5,6]N[6,6]H)	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(N[6,6]C[6,6]C[6])(H)2{1|O<1>,3|H<1>,5|C<4>}	N[6,6](C[6]C[3,5,6]HH)(C[6,6]C[6]2H)(C[6]C[6]O){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[3,5,6]N[6,6]H)	109.5480	0.049	2	109.5480	0.002	2	109.5480	0.002	2	109.5061	0.429	42	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	4:3:1:1:	4:4:3:	4:	C[5,6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6a]O[6]2)(C[6]C[5,6,6]HH)(C[6]C[6,6a]O)	H(C[6]C[5,6,6]N[6,6]H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[6,6]C[6,6]C[6])(H)2{1|O<1>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	N[6,6](C[6,6]C[6a]O[6]2)(C[6]C[5,6,6]HH)(C[6]C[6,6a]O){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[5,6,6]N[6,6]H)	110.1695	0.120	2	110.1695	0.014	2	110.1695	0.014	2	109.5061	0.429	42	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]O)	H(C[6]C[5,6]N[6,6]H)	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<4>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]O){3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]N[6,6]H)	109.6160	0.027	2	109.6160	0.001	2	109.6160	0.001	2	109.5061	0.429	42	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[3,6]C[3x6]H)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[3,6]C[3x6]H)(N[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){4|C<4>,6|H<1>}	H(C[6]C[6,6]N[6,6]H)	109.5000	0.000	1	109.5000	0.000	1	109.4608	0.474	36	109.5061	0.429	42	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]Cl)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|Cl<1>,1|C<3>,1|N<4>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]Cl){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]N[6,6]H)	109.7960	0.020	2	109.7960	0.000	2	109.4608	0.474	36	109.5061	0.429	42	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]N[6,6]H)	108.9455	0.011	2	109.3718	0.047	25	109.4608	0.474	36	109.5061	0.429	42	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]N[6,6]H)	109.1975	0.032	2	109.3718	0.047	25	109.4608	0.474	36	109.5061	0.429	42	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){4|C<4>,6|H<1>}	H(C[6]C[6,6]N[6,6]H)	109.5985	0.008	2	109.3718	0.047	25	109.4608	0.474	36	109.5061	0.429	42	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<3>,1|O<2>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]N[6,6]H)	109.5150	0.071	2	109.3718	0.047	25	109.4608	0.474	36	109.5061	0.429	42	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<1>,4|C<4>,4|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){4|C<4>,6|H<1>}	H(C[6]C[6,6]N[6,6]H)	109.4679	0.148	13	109.3718	0.047	25	109.4608	0.474	36	109.5061	0.429	42	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|N<4>,1|O<1>,4|C<4>,4|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){4|C<4>,6|H<1>}	H(C[6]C[6,6]N[6,6]H)	109.1748	0.081	4	109.3718	0.047	25	109.4608	0.474	36	109.5061	0.429	42	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<1>,3|C<4>,5|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){4|C<4>,6|H<1>}	H(C[6]C[6,6]N[6,6]H)	108.9630	0.008	2	108.9630	0.000	2	109.4608	0.474	36	109.5061	0.429	42	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|O<1>,2|C<3>,3|C<4>,3|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]N[6,6]H)	109.4435	0.023	2	109.4435	0.001	2	109.4608	0.474	36	109.5061	0.429	42	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6,6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]N[6,6]C[6a]O[6])(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6a]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]N[6,6]C[6a]O[6])(N[6,6]C[6,6]C[6])(H)2{1|C<4>,1|O<1>,1|O<2>,6|C<3>}	N[6,6](C[6,6]C[6a]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6]N[6,6]H)	110.0973	2.076	4	110.0973	4.310	4	109.4608	0.474	36	109.5061	0.429	42	109.1738	0.921	1466	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	2:3:1:1:	4:3:4:	4:	O[6]-2:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](O[6]B[3x6])(N[6]C[6]C)(H)2	N[6](C[6]O[6]HH)(C[6]N[6]H)(CCCH)	H(C[6]N[6]O[6]H)	C[6](O[6]B[3x6])(N[6]C[6]C)(H)2{1|H<1>,1|N<3>,2|C<4>}	N[6](C[6]O[6]HH)(C[6]N[6]H)(CCCH){1|B<4>,1|C<4>}	H(C[6]N[6]O[6]H)	109.5282	0.068	4	109.5282	0.005	4	109.5282	0.005	4	109.5282	0.005	4	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	2:3:4:1:	3:4:1:	4:	O[6]-2:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(N[6]C[6]H)(CH3)(H)	N[6](C[6]C[6,6a]O)(C[6]O[6]CH)(H)	H(C[6]N[6]O[6]C)	C[6](O[6]C[6,6a])(N[6]C[6]H)(CH3)(H){1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]O[6]CH)(H){2|C<3>}	H(C[6]N[6]O[6]C)	109.9270	0.000	1	109.9270	0.000	1	109.9270	0.000	1	109.9270	0.000	1	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:2:1:1:	3:4:3:	4:	N[6]-3:O[6]-2:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(O[6]C[6])(H)2	N[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]O)	H(C[6]N[6]O[6]H)	C[6](N[6]C[6a]C[6])(O[6]C[6])(H)2{1|N<3>,1|O<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]O){1|O<2>,2|H<1>,3|C<3>}	H(C[6]N[6]O[6]H)	110.7355	1.030	2	110.7355	1.061	2	110.7355	1.061	2	110.7355	1.061	2	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:2:1:1:	3:4:4:	4:	N[6]-3:N[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(N[6]S[6])(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)	H(C[6]N[6]2H)	C[6](N[6]C[6,6a]C)(N[6]S[6])(H)2{2|C<3>,2|O<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH){1|H<1>,1|S<4>,2|C<3>}	H(C[6]N[6]2H)	108.8240	0.092	2	108.8240	0.008	2	108.8240	0.008	2	108.9253	0.011	7	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:2:1:1:	3:4:4:	4:	N[6]-3:O[6]-2:H-1:H-1:	C[5a,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[5a,6]C)(O[6]C[6])(H)2	N[6](C[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(CC[6a]HH)	H(C[6]N[6]O[6]H)	C[6](N[6]C[5a,6]C)(O[6]C[6])(H)2{1|C<3>,1|N<3>,2|H<1>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(CC[6a]HH){1|C<4>,1|N<2>,2|C<3>}	H(C[6]N[6]O[6]H)	108.9658	0.082	5	108.9658	0.007	5	108.9658	0.007	5	108.9253	0.011	7	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:2:1:1:	4:3:1:	4:	N[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](N[6]C[6]O)(O[6]C[6])(H)2	N[6](C[6]O[6]HH)(C[6]C[6]C)(O)	H(C[6]N[6]O[6]H)	C[6](N[6]C[6]O)(O[6]C[6])(H)2{1|C<3>,3|C<4>}	N[6](C[6]O[6]HH)(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<2>}	H(C[6]N[6]O[6]H)	108.8785	0.012	2	108.8785	0.000	2	108.8785	0.000	2	108.8785	0.000	2	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:2:1:1:	4:3:4:	4:	N[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](N[6]C[6]C)(O[6]C[6])(H)2	N[6](C[6]O[6]HH)(C[6]N[6]N)(CCHH)	H(C[6]N[6]O[6]H)	C[6](N[6]C[6]C)(O[6]C[6])(H)2{1|N<2>,1|N<3>,2|H<1>}	N[6](C[6]O[6]HH)(C[6]N[6]N)(CCHH){2|C<4>}	H(C[6]N[6]O[6]H)	109.8700	0.000	1	109.8700	0.000	1	109.6381	0.695	19	109.4717	0.707	23	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:2:1:1:	4:3:4:	4:	N[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](N[6]C[6]C)(O[6]C[6])(H)2	N[6](C[6]O[6]HH)(C[6]N[6]N)(CC[5a]HH)	H(C[6]N[6]O[6]H)	C[6](N[6]C[6]C)(O[6]C[6])(H)2{1|N<2>,1|N<3>,2|H<1>}	N[6](C[6]O[6]HH)(C[6]N[6]N)(CC[5a]HH){2|C<4>}	H(C[6]N[6]O[6]H)	108.5685	0.128	2	108.5685	0.016	2	109.6381	0.695	19	109.4717	0.707	23	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:2:1:1:	4:3:4:	4:	N[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](N[6]C[6]C)(O[6]C[6])(H)2	N[6](C[6]O[6]HH)(C[6]N[6]N)(CC[6a]CH)	H(C[6]N[6]O[6]H)	C[6](N[6]C[6]C)(O[6]C[6])(H)2{1|N<2>,1|N<3>,2|H<1>}	N[6](C[6]O[6]HH)(C[6]N[6]N)(CC[6a]CH){2|C<4>}	H(C[6]N[6]O[6]H)	110.0375	0.055	4	110.0375	0.003	4	109.6381	0.695	19	109.4717	0.707	23	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:2:1:1:	4:3:4:	4:	N[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](N[6]C[6]C)(O[6]C[6])(H)2	N[6](C[6]O[6]HH)(C[6]N[6]N)(CH3)	H(C[6]N[6]O[6]H)	C[6](N[6]C[6]C)(O[6]C[6])(H)2{1|N<2>,1|N<3>,2|H<1>}	N[6](C[6]O[6]HH)(C[6]N[6]N)(CH3){2|C<4>}	H(C[6]N[6]O[6]H)	109.8085	1.133	8	109.8085	1.284	8	109.6381	0.695	19	109.4717	0.707	23	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:2:1:1:	4:3:4:	4:	N[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](N[6]C[6]C)(O[6]C[6])(H)2	N[6](C[6]O[6]HH)(C[6]N[6]O)(CC[5a]HH)	H(C[6]N[6]O[6]H)	C[6](N[6]C[6]C)(O[6]C[6])(H)2{1|N<3>,1|O<1>,2|H<1>}	N[6](C[6]O[6]HH)(C[6]N[6]O)(CC[5a]HH){2|C<4>}	H(C[6]N[6]O[6]H)	109.3845	0.023	2	109.3845	0.001	2	109.6381	0.695	19	109.4717	0.707	23	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:2:1:1:	4:3:4:	4:	N[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](N[6]C[6]C)(O[6]C[6])(H)2	N[6](C[6]O[6]HH)(C[6]N[6]O)(CH3)	H(C[6]N[6]O[6]H)	C[6](N[6]C[6]C)(O[6]C[6])(H)2{1|N<3>,1|O<1>,2|H<1>}	N[6](C[6]O[6]HH)(C[6]N[6]O)(CH3){2|C<4>}	H(C[6]N[6]O[6]H)	109.3645	0.021	2	109.3645	0.000	2	109.6381	0.695	19	109.4717	0.707	23	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:2:1:1:	4:3:4:	4:	N[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(H)2	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH)	H(C[6]N[6]O[6]H)	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(H)2{2|H<1>,4|C<3>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH){2|H<1>,4|C<3>}	H(C[6]N[6]O[6]H)	108.6815	0.077	4	108.6815	0.006	4	108.6815	0.006	4	109.4717	0.707	23	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:2:1:1:	4:4:1:	4:	N[6]-3:C[6]-2:H-1:H-1:	P[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6]P[6,6]H)(C[6]C[6])(H)2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]P[6,6]H)(C[6]C[6])(H)2{1|N<2>,2|H<1>,2|N<3>}	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|P<4>}	H(C[6]C[6]N[6]H)	104.3808	3.870	4	104.3808	14.979	4	104.3808	14.979	4	105.7453	13.457	6	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:2:1:1:	4:4:1:	4:	N[6]-3:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6]H)(O[6]C[6])(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)	H(C[6]N[6]O[6]H)	C[6](N[6]C[6,6]H)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H){2|H<1>,4|C<4>}	H(C[6]N[6]O[6]H)	108.4745	0.053	2	108.4745	0.003	2	108.4745	0.003	2	105.7453	13.457	6	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:2:3:1:	4:3:4:	4:	C[6a]-3:N[6]-2:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]C[6]C)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(CC[6a]HH)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]C[6]C)(H){3|H<1>,4|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(CC[6a]HH){4|C<3>}	H(C[6]C[6a]N[6]2)	107.0060	0.000	1	107.0060	0.000	1	107.0060	0.000	1	107.3065	0.181	2	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:2:3:1:	4:3:4:	4:	N[6]-3:O[6]-2:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(COO)(H)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]CH)	H(C[6]N[6]O[6]C)	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(COO)(H){1|H<1>,5|C<3>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]CH){2|H<1>,4|C<3>}	H(C[6]N[6]O[6]C)	107.6070	0.000	1	107.6070	0.000	1	107.6070	0.000	1	107.3065	0.181	2	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:2:4:1:	3:3:4:	4:	N[6]-3:S[6]-2:C-4:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(S[6]C[6,6a])(CCHH)(H)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]S[6]CH)	H(C[6]N[6]S[6]C)	C[6](N[6]C[6a]C[6])(S[6]C[6,6a])(CCHH)(H){1|O<1>,4|C<3>}	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]S[6]CH){2|H<1>,4|C<3>}	H(C[6]N[6]S[6]C)	106.6710	0.000	1	106.6710	0.000	1	106.6710	0.000	1	106.6710	0.000	1	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:2:4:1:	3:4:4:	4:	N[6]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(O[6]C[6])(CCHH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(SC[6a]OO)	H(C[6]N[6]O[6]C)	C[6](N[6]C[6,6a]S)(O[6]C[6])(CCHH)(H){2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	H(C[6]N[6]O[6]C)	107.9010	0.000	1	107.9010	0.000	1	107.9010	0.000	1	107.9010	0.000	1	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:2:4:1:	4:2:1:	4:	N[6]-3:N[6]-2:C-4:H-1:	C[6]-4:N[6]-2:H-1:	C[6]-4:	C[6](N[6]N[6]H)(N[6]N[6])(CH3)(H)	N[6](C[6]N[6]CH)(N[6]C[6])(H)	H(C[6]N[6]2C)	C[6](N[6]N[6]H)(N[6]N[6])(CH3)(H){1|C<3>}	N[6](C[6]N[6]CH)(N[6]C[6])(H){1|C<3>,1|N<2>}	H(C[6]N[6]2C)	109.2650	0.000	1	109.2650	0.000	1	109.2650	0.000	1	109.2650	0.000	1	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:2:4:1:	4:2:3:	4:	N[6]-3:N[6]-2:C-4:H-1:	C[6]-4:N[6]-2:C-3:	C[6]-4:	C[6](N[6]N[6]C)(N[6]N[6])(CH3)(H)	N[6](C[6]N[6]CH)(N[6]C[6])(CCO)	H(C[6]N[6]2C)	C[6](N[6]N[6]C)(N[6]N[6])(CH3)(H){1|C<3>}	N[6](C[6]N[6]CH)(N[6]C[6])(CCO){1|C<3>,1|N<2>}	H(C[6]N[6]2C)	108.9675	0.104	2	108.9675	0.011	2	108.9675	0.011	2	108.9675	0.011	2	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:3:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	P[6]-3:P[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]P[6]2)(H)2	N[6](P[6]C[6]N[6])2(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]P[6]2)(H)2{2|N<3>,3|C<4>}	N[6](P[6]C[6]N[6])2(C[6]C[6]HH){2|C<3>,2|P<3>,3|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	108.0238	0.110	4	108.0238	0.012	4	108.0238	0.012	4	107.4590	3.426	18	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2	N[6](C[6]C[3,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2{1|C<1>,1|C<4>,1|O<1>,2|C<3>}	N[6](C[6]C[3,6]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<2>,1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	104.5280	3.227	2	104.4650	3.516	4	107.1367	4.320	13	107.4590	3.426	18	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2	N[6](C[6]C[3,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2{1|C<4>,1|O<1>,3|C<3>}	N[6](C[6]C[3,6]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<2>,1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6]N[6]H)	104.4020	0.342	2	104.4650	3.516	4	107.1367	4.320	13	107.4590	3.426	18	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6,6]O)(H)2	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6,6]O)(H)2{1|C<4>,1|O<1>,3|C<3>}	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,3|C<3>}	H(C[6]C[6]N[6]H)	108.3845	0.042	2	108.3241	0.007	9	107.1367	4.320	13	107.4590	3.426	18	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6,6]O)(H)2	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6,6]O)(H)2{1|O<1>,2|C<3>,2|C<4>}	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	108.3069	0.086	7	108.3241	0.007	9	107.1367	4.320	13	107.4590	3.426	18	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6,6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(H)2	N[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]N[6]HH)	H(C[6]N[6]2H)	C[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(H)2{2|H<1>,6|C<3>}	N[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]N[6]HH){2|C<4>,2|H<1>,5|C<3>}	H(C[6]N[6]2H)	109.3900	0.000	1	109.3900	0.000	1	109.3900	0.000	1	107.4590	3.426	18	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(N[6]C[6]H)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[5,6]O)(N[6]C[6]H)(H)2{1|O<1>,2|C<4>}	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]H)	109.7365	1.709	2	109.7365	2.921	2	109.5738	1.010	4	109.2672	0.131	32	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a,6]C)(N[6]C[6]H)(H)2	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[5a,6]C)(N[6]C[6]H)(H)2{1|O<1>,2|C<3>}	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H){1|N<3>,2|C<3>}	H(C[6]C[6]N[6]H)	109.4110	0.064	2	109.4110	0.004	2	109.5738	1.010	4	109.2672	0.131	32	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:1:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)2	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>}	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.4685	0.019	2	109.4685	0.000	2	109.4685	0.000	2	109.2672	0.131	32	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:1:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(N[6]S[6]H)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)	H(C[6]N[6]2H)	C[6](N[6]C[6,6a]H)(N[6]S[6]H)(H)2{2|C<3>,2|O<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H){1|S<4>,2|C<3>,2|H<1>}	H(C[6]N[6]2H)	109.2079	0.142	24	109.2079	0.020	24	109.2079	0.020	24	109.2672	0.131	32	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:1:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](N[6]C[6]O)(N[6]N[6]C)(H)2	N[6](C[6]C[6a]C[6])(C[6]N[6]HH)(O)	H(C[6]N[6]2H)	C[6](N[6]C[6]O)(N[6]N[6]C)(H)2{3|C<3>}	N[6](C[6]C[6a]C[6])(C[6]N[6]HH)(O){1|N<3>,4|C<3>}	H(C[6]N[6]2H)	109.1640	0.011	2	109.1640	0.000	2	109.1640	0.000	2	109.2672	0.131	32	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:2:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6]-4:	C[6](N[6]C[6a]N[6])2(H)2	N[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6])	H(C[6]N[6]2H)	C[6](N[6]C[6a]N[6])2(H)2{1|Pd<4>,5|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]){1|N<3>,2|H<1>,4|C<3>}	H(C[6]N[6]2H)	110.1690	0.023	2	110.5005	0.043	8	110.5005	0.043	8	110.5005	0.043	8	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:2:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6]-4:	C[6](N[6]C[6a]N[6])2(H)2	N[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6])	H(C[6]N[6]2H)	C[6](N[6]C[6a]N[6])2(H)2{5|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	H(C[6]N[6]2H)	110.6110	0.043	6	110.5005	0.043	8	110.5005	0.043	8	110.5005	0.043	8	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:3:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]N[6,6]C)(H)2	N[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CC[6a]O)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]N[6,6]C)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CC[6a]O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[5a,6]N[6]H)	109.6685	0.006	2	109.6685	0.000	2	109.6685	0.000	2	109.3916	0.470	47	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C)(H)2	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(CC[6a]O)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C)(H)2{1|O<2>,4|C<3>}	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(CC[6a]O){1|H<1>,1|S<2>,3|C<3>}	H(C[6]C[6,6a]N[6]H)	109.2225	0.046	2	109.2225	0.002	2	109.2225	0.002	2	109.3916	0.470	47	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:B[5]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]B[5])(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(B[5]O[5]2)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]B[5])(H)2{1|H<1>,2|O<2>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(B[5]O[5]2){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	109.4257	0.054	3	109.4257	0.003	3	109.4257	0.003	3	109.3916	0.470	47	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CCO)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2{1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CCO){1|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	108.5155	0.572	2	108.5155	0.327	2	109.6191	0.626	7	109.3916	0.470	47	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(COO)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2{1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(COO){1|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	110.0606	0.064	5	110.0606	0.004	5	109.6191	0.626	7	109.3916	0.470	47	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]S)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CCO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]S)(N[6]C[6]C)(H)2{3|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CCO){1|C<4>,1|S<4>,3|C<3>}	H(C[6]C[6]N[6]H)	110.2248	0.087	4	110.2248	0.008	4	110.2248	0.008	4	109.3916	0.470	47	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]H)(N[6]N[6]C)(H)2	N[6](N[6]C[6a]C[6])(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]N[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[6](N[6]C[6a]C[6])(C[6]C[6]HH)(COO){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5505	0.071	2	109.5505	0.005	2	109.5505	0.005	2	109.3916	0.470	47	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:3:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]Br)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]C[6]Br)(H)2{1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO){1|Br<1>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.9550	0.004	2	109.9550	0.000	2	109.4860	0.159	12	109.3916	0.470	47	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:3:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)2{1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.5320	0.000	1	109.5320	0.000	1	109.4860	0.159	12	109.3916	0.470	47	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:3:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)2{1|Cl<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O){2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.7915	0.015	2	109.6874	0.022	5	109.4860	0.159	12	109.3916	0.470	47	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:3:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)2{1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O){2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.6180	0.163	3	109.6874	0.022	5	109.4860	0.159	12	109.3916	0.470	47	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:3:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(H)2{1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCO){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]N[6]H)	108.9883	0.083	4	108.9883	0.007	4	109.4860	0.159	12	109.3916	0.470	47	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:3:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6]N[6]H)	108.7545	0.018	2	108.7545	0.000	2	108.7113	0.642	9	109.3916	0.470	47	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:3:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6]N[6]H)	109.6625	0.013	2	109.6625	0.000	2	108.7113	0.642	9	109.3916	0.470	47	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:3:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]O)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]O)(H)2{1|C<4>,1|O<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	108.3136	0.795	5	108.3136	0.632	5	108.7113	0.642	9	109.3916	0.470	47	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:3:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2	N[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]S[6]S)	H(C[6]N[6]2H)	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2{1|S<1>,1|S<2>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]S[6]S){2|C<3>,4|C<4>}	H(C[6]N[6]2H)	108.4275	0.009	2	108.4275	0.000	2	108.8375	0.224	4	109.3916	0.470	47	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:3:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])2(H)2	N[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H)	H(C[6]N[6]2H)	C[6](N[6]C[6a]C[6])2(H)2{3|H<1>,5|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]N[6]2H)	109.2475	0.022	2	109.2475	0.000	2	108.8375	0.224	4	109.3916	0.470	47	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:3:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:	C[6]-4:	C[6](N[6]C[6a]N[6])2(H)2	N[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]Pd)	H(C[6]N[6]2H)	C[6](N[6]C[6a]N[6])2(H)2{1|Pd<4>,5|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]Pd){1|N<2>,2|H<1>,4|C<3>}	H(C[6]N[6]2H)	110.2135	0.019	2	110.2135	0.000	2	110.2135	0.000	2	109.3916	0.470	47	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	C[5,6]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6a]S)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6a]S)(H)2{1|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[5,6]N[6]H)	109.5345	0.029	2	109.5345	0.001	2	109.5345	0.001	2	109.0660	2.162	133	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2{1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3){1|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	109.1455	0.047	2	109.1455	0.002	2	109.1455	0.002	2	109.0660	2.162	133	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(SC[6a]OO)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(H)2{1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(SC[6a]OO){1|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	108.7382	1.268	4	108.7382	1.609	4	109.1497	1.371	6	109.0660	2.162	133	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(H)2	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(SC[6a]OO)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(H)2{1|H<1>,1|N<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(SC[6a]OO){4|C<3>}	H(C[6]C[6,6a]N[6]H)	109.9725	0.018	2	109.9725	0.000	2	109.1497	1.371	6	109.0660	2.162	133	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:P[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]P[6])(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]HH)(P[6]O[6]OO)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]P[6])(H)2{1|H<1>,1|N<2>,1|O<1>,2|O<2>,3|C<3>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]HH)(P[6]O[6]OO){1|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	108.9705	0.042	2	108.9705	0.002	2	108.9705	0.002	2	109.0660	2.162	133	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:P[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]P[6])(H)2	N[6](C[6a]C[6a]N[6a])(P[6]C[6a]O[6]O)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]P[6])(H)2{1|H<1>,1|N<2>,1|O<1>,1|O<2>,4|C<3>}	N[6](C[6a]C[6a]N[6a])(P[6]C[6a]O[6]O)(C[6]C[6,6a]HH){1|H<1>,6|C<3>}	H(C[6]C[6,6a]N[6]H)	109.4700	0.004	2	109.4700	0.000	2	109.4700	0.000	2	109.0660	2.162	133	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]C)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CH3){3|C<3>}	H(C[6]C[6]N[6]H)	109.2755	0.006	2	109.2755	0.000	2	108.7848	7.459	28	109.0660	2.162	133	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[5,6]O)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>}	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHH){1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[6]N[6]H)	107.1140	1.765	2	107.1140	3.115	2	108.7848	7.459	28	109.0660	2.162	133	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[5,6]O)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]H)	108.2668	0.449	4	108.2668	0.202	4	108.7848	7.459	28	109.0660	2.162	133	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[5,6]O)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>}	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,1|O<1>,1|S<2>}	H(C[6]C[6]N[6]H)	109.0910	0.010	2	109.0910	0.000	2	108.7848	7.459	28	109.0660	2.162	133	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2	N[6](C[6]C[3,6,6]O)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[3,6,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	H(C[6]C[6]N[6]H)	108.3205	0.154	6	108.3205	0.024	6	108.7848	7.459	28	109.0660	2.162	133	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|O<1>,2|N<3>}	H(C[6]C[6]N[6]H)	108.0305	0.019	2	108.0305	0.000	2	108.7848	7.459	28	109.0660	2.162	133	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	H(C[6]C[6]N[6]H)	110.9205	7.517	4	110.9205	56.503	4	108.7848	7.459	28	109.0660	2.162	133	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>}	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]H)	108.7132	0.064	6	108.7132	0.004	6	108.7848	7.459	28	109.0660	2.162	133	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	N[6](C[6]C[6a]C[6])(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]HH)(SC[6a]OO){5|C<3>}	H(C[6]C[6]N[6]H)	109.4080	0.051	2	109.4080	0.003	2	109.4080	0.003	2	109.0660	2.162	133	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]O[6]O)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]O[6]O)(H)2{2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6]N[6]H)	108.6975	0.008	2	108.6975	0.000	2	108.6975	0.000	2	109.0660	2.162	133	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(H)2{3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	108.8105	0.036	2	108.8105	0.001	2	109.2205	0.054	18	109.0660	2.162	133	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]H)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]S)(C[6]C[6]H)(H)2{3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.2865	0.240	10	109.2865	0.058	10	109.2205	0.054	18	109.0660	2.162	133	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]N[6]C)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]S)(C[6]N[6]C)(H)2{1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]N[6]H)	109.2472	0.065	6	109.2472	0.004	6	109.2205	0.054	18	109.0660	2.162	133	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-3:C[5]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]N[6,6]O)(H)2	N[6](C[6]C[6,6]O)(C[5]C[5]2H)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]N[6,6]O)(H)2{1|H<1>,1|O<1>,4|C<4>}	N[6](C[6]C[6,6]O)(C[5]C[5]2H)(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	109.0625	0.022	2	109.0625	0.000	2	109.0625	0.000	2	109.0660	2.162	133	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{3|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	107.8410	0.007	2	107.8410	0.000	2	107.8410	0.000	2	109.0660	2.162	133	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6]C)(N[6]C[6]C)(H)2	N[6](C[6,6]C[6,6]O[6])(C[6]N[6]HH)(CH3)	H(C[6]N[6]2H)	C[6](N[6]C[6,6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>}	N[6](C[6,6]C[6,6]O[6])(C[6]N[6]HH)(CH3){1|C<3>,3|C<4>}	H(C[6]N[6]2H)	109.4565	0.054	2	109.4565	0.003	2	109.4565	0.003	2	109.0660	2.162	133	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(N[6]C[6]C)(H)2	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]HH)(CC[6a]HH)	H(C[6]N[6]2H)	C[6](N[6]C[6,6a]C)(N[6]C[6]C)(H)2{1|C<3>,1|N<2>,2|H<1>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]HH)(CC[6a]HH){2|C<3>,2|C<4>}	H(C[6]N[6]2H)	108.6370	0.016	2	108.6370	0.000	2	109.0033	0.437	18	109.0660	2.162	133	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(N[6]S[6]H)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)	H(C[6]N[6]2H)	C[6](N[6]C[6,6a]C)(N[6]S[6]H)(H)2{2|C<3>,2|O<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH){1|C<3>,1|N<2>,1|S<4>,2|H<1>}	H(C[6]N[6]2H)	109.0240	0.231	4	109.0240	0.054	4	109.0033	0.437	18	109.0660	2.162	133	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]C)2(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP)	H(C[6]N[6]2H)	C[6](N[6]C[6,6a]C)2(H)2{3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP){1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[6]2H)	109.0575	0.796	12	109.0575	0.633	12	109.0033	0.437	18	109.0660	2.162	133	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(N[6]C[5,6]C)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(SC[6a]OO)	H(C[6]N[6]2H)	C[6](N[6]C[6,6a]S)(N[6]C[5,6]C)(H)2{1|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(SC[6a]OO){1|H<1>,2|C<3>,2|C<4>}	H(C[6]N[6]2H)	109.4075	0.009	2	109.4075	0.000	2	109.4075	0.000	2	109.0660	2.162	133	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]O)(C[6]N[6]HH)(CH3)	H(C[6]N[6]2H)	C[6](N[6]C[6,6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>}	N[6](C[6]C[6,6]O)(C[6]N[6]HH)(CH3){1|C<3>,2|C<4>}	H(C[6]N[6]2H)	109.4913	0.021	4	109.4913	0.000	4	109.4913	0.000	4	109.0660	2.162	133	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	H(C[6]N[6]2H)	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|S<1>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]N[6]2H)	108.9930	0.033	2	109.1551	0.012	11	109.1518	1.583	39	109.0660	2.162	133	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	H(C[6]N[6]2H)	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2{1|N<3>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|F<1>,1|H<1>,2|C<4>,3|C<3>}	H(C[6]N[6]2H)	109.0640	0.007	2	109.1551	0.012	11	109.1518	1.583	39	109.0660	2.162	133	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	H(C[6]N[6]2H)	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2{1|N<3>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]N[6]2H)	109.2274	0.040	7	109.1551	0.012	11	109.1518	1.583	39	109.0660	2.162	133	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(H)2	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	H(C[6]N[6]2H)	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(H)2{1|N<3>,1|S<1>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]N[6]2H)	109.8530	0.000	1	109.8530	0.000	1	109.1518	1.583	39	109.0660	2.162	133	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])2(H)2	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	H(C[6]N[6]2H)	C[6](N[6]C[6a]C[6])2(H)2{1|N<3>,4|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]N[6]2H)	109.0793	1.869	18	109.1246	2.290	27	109.1518	1.583	39	109.0660	2.162	133	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])2(H)2	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	H(C[6]N[6]2H)	C[6](N[6]C[6a]C[6])2(H)2{1|N<3>,4|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|F<1>,1|H<1>,2|C<4>,3|C<3>}	H(C[6]N[6]2H)	109.2513	0.015	3	109.1246	2.290	27	109.1518	1.583	39	109.0660	2.162	133	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])2(H)2	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	H(C[6]N[6]2H)	C[6](N[6]C[6a]C[6])2(H)2{1|N<3>,4|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]N[6]2H)	109.1968	0.071	6	109.1246	2.290	27	109.1518	1.583	39	109.0660	2.162	133	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:2:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-3:	C[6]-4:	C[6](C[6]C[6]C)(N[6]O[6]C)(H)2	N[6](C[6]C[6]HH)(O[6]C[6])(CC[6a]O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]O[6]C)(H)2{2|C<4>}	N[6](C[6]C[6]HH)(O[6]C[6])(CC[6a]O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6780	0.000	1	109.6780	0.000	1	109.6780	0.000	1	109.3520	0.213	2	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:2:3:	4:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(N[6]O[6]C)(H)2	N[6](C[6]N[6,6]HH)(O[6]C[6,6])(CCO)	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]C[6])(N[6]O[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]N[6,6]HH)(O[6]C[6,6])(CCO){1|C<3>,1|H<1>,2|C<4>}	H(C[6]N[6,6]N[6]H)	109.0260	0.000	1	109.0260	0.000	1	109.0260	0.000	1	109.3520	0.213	2	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:1:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6a]N[6])(H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2{1|H<1>,1|N<2>,3|C<3>}	N[6](C[6]C[6,6a]HH)(C[6]C[6a]N[6])(H){4|C<3>}	H(C[6]C[6,6a]N[6]H)	109.8072	0.048	4	109.8072	0.002	4	109.7085	0.025	6	109.4037	2.346	95	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:1:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2	N[6](C[6]C[6,6a]HH)(C[6]N[6]H)(H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2{1|N<3>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	H(C[6]C[6,6a]N[6]H)	109.5110	0.024	2	109.5110	0.001	2	109.7085	0.025	6	109.4037	2.346	95	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]O)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)2{1|H<1>,1|N<2>,1|O<2>}	N[6](C[6]C[6]HH)(C[6]N[6]O)(H){2|C<3>}	H(C[6]C[6]N[6]H)	109.0750	0.007	2	109.0750	0.000	2	109.2011	4.170	52	109.4037	2.346	95	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]H)	107.8455	1.727	2	109.2191	4.520	48	109.2011	4.170	52	109.4037	2.346	95	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3133	2.175	44	109.2191	4.520	48	109.2011	4.170	52	109.4037	2.346	95	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]H)(H)2{1|Mo<12>,1|C<4>,1|O<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]H)	108.5225	0.919	2	109.2191	4.520	48	109.2011	4.170	52	109.4037	2.346	95	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]O[6]O)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]O)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	108.8940	0.008	2	108.8940	0.000	2	109.2011	4.170	52	109.4037	2.346	95	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:1:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[6]C[6]C)(N[6]C[6]H)(H)2	N[6](C[6]N[6]HH)(C[6]N[6]C)(H)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]C)(H){1|H<1>,2|C<4>}	H(C[6]N[6]2H)	109.5055	0.068	6	109.5055	0.005	6	109.6389	0.082	37	109.4037	2.346	95	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:1:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[6]C[6]C)(N[6]C[6]H)(H)2	N[6](C[6]N[6]HH)(C[6]N[6]N)(H)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)(N[6]C[6]H)(H)2{1|N<2>,1|N<3>,2|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]N)(H){3|C<4>}	H(C[6]N[6]2H)	109.3273	0.087	10	109.3273	0.007	10	109.6389	0.082	37	109.4037	2.346	95	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:1:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[6]C[6]H)(N[6]C[6]N)(H)2	N[6](C[6]N[6]HH)(C[6]N[6]C)(H)	H(C[6]N[6]2H)	C[6](N[6]C[6]H)(N[6]C[6]N)(H)2{1|C<3>,1|N<3>,2|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]C)(H){1|C<4>,1|H<1>,1|N<3>}	H(C[6]N[6]2H)	109.6295	0.109	4	109.7368	0.029	10	109.6389	0.082	37	109.4037	2.346	95	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:1:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[6]C[6]H)(N[6]C[6]N)(H)2	N[6](C[6]N[6]HH)(C[6]N[6]C)(H)	H(C[6]N[6]2H)	C[6](N[6]C[6]H)(N[6]C[6]N)(H)2{1|C<4>,1|N<2>,2|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]C)(H){1|C<4>,1|N<3>}	H(C[6]N[6]2H)	109.8083	0.171	6	109.7368	0.029	10	109.6389	0.082	37	109.4037	2.346	95	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:1:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[6]C[6]H)2(H)2	N[6](C[6]N[6]HH)(C[6]N[6]C)(H)	H(C[6]N[6]2H)	C[6](N[6]C[6]H)2(H)2{1|N<3>,2|C<3>}	N[6](C[6]N[6]HH)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	H(C[6]N[6]2H)	110.1492	0.030	4	110.1492	0.001	4	109.6389	0.082	37	109.4037	2.346	95	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:1:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(H)2	N[6](C[6]N[6]HH)(C[6]N[6]S)(H)	H(C[6]N[6]2H)	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(H)2{1|N<3>,1|S<1>,2|C<3>,2|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]S)(H){1|C<3>,2|C<4>}	H(C[6]N[6]2H)	109.7670	0.205	7	109.7670	0.042	7	109.6389	0.082	37	109.4037	2.346	95	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:2:	4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]2)(N[6]C[6a]O[6])(H)2	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]2)(N[6]C[6a]O[6])(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]N[6]H)	107.8000	0.974	2	107.8000	0.949	2	107.8000	0.949	2	109.0605	0.896	8	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:2:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-2:	C[6]-4:	C[6](C[6]N[6]C)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]O)(NC)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]C)(N[6]C[6]N)(H)2{1|N<3>,1|O<1>}	N[6](C[6]C[6]HH)(C[6]N[6]O)(NC){1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]N[6]H)	109.1805	0.031	4	109.1805	0.001	4	109.1805	0.001	4	109.0605	0.896	8	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:2:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-2:	C[6]-4:	C[6](N[6]C[6]N)2(H)2	N[6](C[6]N[6]HH)(C[6]N[6]C)(NO)	H(C[6]N[6]2H)	C[6](N[6]C[6]N)2(H)2{1|C<4>,1|N<2>,2|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]C)(NO){1|C<4>,1|N<3>}	H(C[6]N[6]2H)	110.0810	0.013	2	110.0810	0.000	2	110.0810	0.000	2	109.0605	0.896	8	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:3:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:B[5]-3:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[5]C[6])(H)2	N[6](C[6]C[6,6a]HH)(B[5]O[5]2)(C[6]C[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[5]C[6])(H)2{2|H<1>,2|O<2>,3|C<3>}	N[6](C[6]C[6,6a]HH)(B[5]O[5]2)(C[6]C[6]H){1|B<3>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]N[6]H)	109.2220	0.054	2	109.2220	0.003	2	109.2220	0.003	2	109.2781	0.539	63	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:3:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CCO)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|H<1>,4|C<3>}	N[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CCO){1|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	109.7520	0.071	2	109.7873	0.006	3	109.3971	0.275	7	109.2781	0.539	63	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:3:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CCO)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|H<1>,4|C<3>}	N[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CCO){5|C<3>}	H(C[6]C[6,6a]N[6]H)	109.8580	0.000	1	109.7873	0.006	3	109.3971	0.275	7	109.2781	0.539	63	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:3:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(COO)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|H<1>,4|C<3>}	N[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(COO){1|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	109.3480	0.774	2	109.3480	0.598	2	109.3971	0.275	7	109.2781	0.539	63	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:3:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]N[6]O)(CNO)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]HH)(C[6]N[6]O)(CNO){1|H<1>,2|C<3>}	H(C[6]C[6,6a]N[6]H)	108.8610	0.006	2	108.8610	0.000	2	109.3971	0.275	7	109.2781	0.539	63	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:3:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]N)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]N){4|C<3>,4|H<1>}	H(C[6]C[6,6a]N[6]H)	109.3305	0.006	2	109.3305	0.000	2	109.6166	0.088	36	109.2781	0.539	63	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:3:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]O)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	109.6562	0.023	4	109.6562	0.001	4	109.6166	0.088	36	109.2781	0.539	63	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:3:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|N<2>,2|H<1>,4|C<3>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]N[6]H){2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	109.3796	0.102	8	109.3796	0.010	8	109.6166	0.088	36	109.2781	0.539	63	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:3:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]N[6]O)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]N[6]O){3|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	109.1767	0.284	4	109.1767	0.081	4	109.6166	0.088	36	109.2781	0.539	63	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:3:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]O)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<3>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]O){2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	109.8427	0.166	18	109.8427	0.027	18	109.6166	0.088	36	109.2781	0.539	63	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:3:	4:	C[6]-3:N[6]-3:Br-1:H-1:	C[6]-4:N[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]O)(N[6]N[6]C)(Br)(H)	N[6](C[6]C[6]BrH)(N[6]C[6]C)(COO)	H(C[6]C[6]N[6]Br)	C[6](C[6]C[6]O)(N[6]N[6]C)(Br)(H){1|Br<1>,2|C<3>}	N[6](C[6]C[6]BrH)(N[6]C[6]C)(COO){1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]N[6]Br)	109.5590	0.000	1	109.5590	0.000	1	109.5590	0.000	1	109.2781	0.539	63	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCO)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCO){1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]H)	108.0118	0.600	4	108.0118	0.360	4	108.0118	0.360	4	109.2781	0.539	63	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(NCH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]N)(H)2{1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(NCH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]H)	108.3930	0.030	2	108.3417	0.002	6	108.3417	0.002	6	109.2781	0.539	63	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(NCH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]N)(H)2{1|C<4>,1|N<3>,1|O<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(NCH){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]H)	108.3005	0.011	2	108.3417	0.002	6	108.3417	0.002	6	109.2781	0.539	63	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(NCH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]N)(H)2{1|O<1>,2|C<4>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(NCH){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]H)	108.3315	0.030	2	108.3417	0.002	6	108.3417	0.002	6	109.2781	0.539	63	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6a]N[6])(N[6]N[6]C)(H)2	N[6](C[6]C[6]HH)(N[6]N[6]C)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]N[6])(N[6]N[6]C)(H)2{1|N<3>,3|C<3>}	N[6](C[6]C[6]HH)(N[6]N[6]C)(COO){1|N<2>,2|C<3>}	H(C[6]C[6]N[6]H)	110.0690	0.068	2	110.0690	0.005	2	110.0690	0.005	2	109.2781	0.539	63	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:3:	4:	N[6]-3:N[6]-3:Cl-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])2(Cl)(H)	N[6](C[6]N[6]ClH)(C[6a]C[6a]2)(C[6]C[6]O)	H(C[6]N[6]2Cl)	C[6](N[6]C[6a]C[6])2(Cl)(H){1|C<4>,2|O<1>,4|C<3>}	N[6](C[6]N[6]ClH)(C[6a]C[6a]2)(C[6]C[6]O){4|C<3>,4|C<4>}	H(C[6]N[6]2Cl)	107.0480	0.011	2	107.0480	0.000	2	107.0480	0.000	2	109.2781	0.539	63	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:3:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](N[6]C[6]N)2(H)2	N[6](C[6]N[6]HH)(C[6]N[6]C)(NOO)	H(C[6]N[6]2H)	C[6](N[6]C[6]N)2(H)2{1|C<4>,1|N<2>,2|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]C)(NOO){1|C<4>,1|N<3>}	H(C[6]N[6]2H)	109.8610	0.000	1	109.8610	0.000	1	109.8610	0.000	1	109.2781	0.539	63	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:3:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-3:	C[6]-4:	C[6](N[6]C[6]O)(N[6]N[6]C)(H)2	N[6](C[6]N[6]HH)(N[6]C[6]C)(COO)	H(C[6]N[6]2H)	C[6](N[6]C[6]O)(N[6]N[6]C)(H)2{3|C<3>}	N[6](C[6]N[6]HH)(N[6]C[6]C)(COO){1|O<1>,2|C<3>}	H(C[6]N[6]2H)	109.1745	0.015	2	109.1745	0.000	2	109.1745	0.000	2	109.2781	0.539	63	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	C[5,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]O)(CC[6a]CH)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[6](C[6]C[5,6]HH)(C[6]C[6]O)(CC[6a]CH){1|H<1>,2|C<3>}	H(C[6]C[5,6]N[6]H)	109.0990	0.000	1	109.0990	0.000	1	109.0990	0.000	1	108.9389	0.831	180	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]O)(SC[6a]OO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]S)(H)2{1|O<1>,2|H<1>,3|C<4>}	N[6](C[6]C[6,6]HH)(C[6]C[6]O)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6]N[6]H)	109.5570	0.024	3	109.5570	0.001	3	109.5570	0.001	3	108.9389	0.831	180	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]CH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]CH){2|H<1>,5|C<3>}	H(C[6]C[6,6]N[6]H)	109.2385	0.084	2	109.2385	0.007	2	109.2357	0.004	3	108.9389	0.831	180	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]N[6]H)	109.2300	0.000	1	109.2300	0.000	1	109.2357	0.004	3	108.9389	0.831	180	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(H)2	N[6](C[6]C[6,6a]HH)(C[5]N[5]O[5])(C[6]C[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]HH)(C[5]N[5]O[5])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	109.5475	0.016	2	109.5475	0.000	2	109.5475	0.000	2	108.9389	0.831	180	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]N[6]H)(CC[6a]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|N<3>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]N[6]H)(CC[6a]HH){1|Ru<9>,2|C<3>}	H(C[6]C[6,6a]N[6]H)	109.6310	0.028	2	109.6310	0.001	2	109.0550	1.109	12	108.9389	0.831	180	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]N[6]Rh)(CC[6a]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|Rh<6>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]C[6,6a]HH)(C[6]N[6]Rh)(CC[6a]HH){1|C<4>,2|C<3>}	H(C[6]C[6,6a]N[6]H)	109.1530	0.031	2	109.1530	0.001	2	109.0550	1.109	12	108.9389	0.831	180	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CCHH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CCHH){2|C<3>}	H(C[6]C[6,6a]N[6]H)	108.5798	1.862	4	108.5798	3.465	4	109.0550	1.109	12	108.9389	0.831	180	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CH3)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CH3){2|C<3>}	H(C[6]C[6,6a]N[6]H)	109.3805	0.018	2	109.3805	0.000	2	109.0550	1.109	12	108.9389	0.831	180	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]S[6]S)(CC[6a]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|H<1>,1|S<1>,1|S<2>,2|C<3>}	N[6](C[6]C[6,6a]HH)(C[6]S[6]S)(CC[6a]HH){2|C<3>}	H(C[6]C[6,6a]N[6]H)	109.0060	0.010	2	109.0060	0.000	2	109.0550	1.109	12	108.9389	0.831	180	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]C)(SCOO)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|C<4>,4|C<3>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]C)(SCOO){1|H<1>,2|C<3>}	H(C[6]C[6,6a]N[6]H)	109.2330	0.000	1	109.2330	0.000	1	109.2330	0.000	1	108.9389	0.831	180	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	109.4015	0.040	2	110.2618	1.403	4	109.8369	0.811	8	108.9389	0.831	180	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]N[6]H)	111.1220	1.117	2	110.2618	1.403	4	109.8369	0.811	8	108.9389	0.831	180	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|O<2>,3|H<1>,4|C<3>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH){2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	109.4120	0.088	4	109.4120	0.008	4	109.8369	0.811	8	108.9389	0.831	180	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:P[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]P[6])(H)2	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(P[6]O[6]OO)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]P[6])(H)2{1|H<1>,1|O<1>,2|O<2>,4|C<3>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(P[6]O[6]OO){2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	109.7585	0.018	2	109.7585	0.000	2	109.7585	0.000	2	108.9389	0.831	180	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	P[6,6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6,6]C[6a])(H)2	N[6](P[6,6]N[6]2O[6])(C[6a]C[6a]N[6a])(C[6]C[6,6a]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6,6]C[6a])(H)2{1|H<1>,1|O<2>,3|C<3>,3|N<2>}	N[6](P[6,6]N[6]2O[6])(C[6a]C[6a]N[6a])(C[6]C[6,6a]HH){1|H<1>,2|P<4>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	109.1467	1.107	4	109.1467	1.225	4	108.8521	0.663	8	108.9389	0.831	180	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	P[6,6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]P[6,6]C[6a])(H)2	N[6](P[6,6]N[6]2O[6])(C[6a]C[6a]N[6a])(C[6]C[6,6a]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]P[6,6]C[6a])(H)2{1|O<2>,3|N<2>,4|C<3>}	N[6](P[6,6]N[6]2O[6])(C[6a]C[6a]N[6a])(C[6]C[6,6a]HH){1|H<1>,2|P<4>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	108.5575	0.303	4	108.5575	0.092	4	108.8521	0.663	8	108.9389	0.831	180	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:B[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]H)(N[6]B[6]C)(H)2	N[6](C[6]C[6]HH)(B[6]C[6]N)(CC3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]B[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>}	N[6](C[6]C[6]HH)(B[6]C[6]N)(CC3){1|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.8790	0.974	4	109.8790	0.948	4	109.8790	0.948	4	108.9389	0.831	180	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]N)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<2>}	N[6](C[6]C[6]HH)(C[6]C[6]N)(CCHH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.0000	0.016	2	109.0000	0.000	2	108.0256	1.201	43	108.9389	0.831	180	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]H)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|H<1>,1|N<2>,1|O<1>}	H(C[6]C[6]N[6]H)	104.8900	0.445	2	104.8900	0.198	2	108.0256	1.201	43	108.9389	0.831	180	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]H)	108.2780	0.000	1	108.1924	0.124	23	108.0256	1.201	43	108.9389	0.831	180	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]H)	107.8420	0.016	2	108.1924	0.124	23	108.0256	1.201	43	108.9389	0.831	180	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]H)	108.2232	0.359	20	108.1924	0.124	23	108.0256	1.201	43	108.9389	0.831	180	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]H)	108.3450	0.041	2	106.6343	4.173	4	108.0256	1.201	43	108.9389	0.831	180	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]H)	104.9235	0.900	2	106.6343	4.173	4	108.0256	1.201	43	108.9389	0.831	180	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<2>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]H)	108.0825	0.015	2	108.5002	0.218	10	108.0256	1.201	43	108.9389	0.831	180	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]H)	108.3605	0.127	4	108.5002	0.218	10	108.0256	1.201	43	108.9389	0.831	180	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]H)	108.8487	0.577	4	108.5002	0.218	10	108.0256	1.201	43	108.9389	0.831	180	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CSiHH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CSiHH){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]H)	108.6770	0.020	2	108.6770	0.000	2	108.0256	1.201	43	108.9389	0.831	180	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	P[6]-4:P[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]P[6]2)(H)2	N[6](P[6]C[6]N[6]Mo)(P[6]C[6]N[6])(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]P[6]2)(H)2{1|Mo<6>,2|N<3>,3|C<4>}	N[6](P[6]C[6]N[6]Mo)(P[6]C[6]N[6])(C[6]C[6]HH){2|C<3>,2|P<4>,3|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	108.6615	0.695	4	108.6615	0.483	4	108.6615	0.483	4	108.9389	0.831	180	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	N[6](C[6]N[6,6]HH)(C[6]N[6]O)(CH3)	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|N<3>,2|O<1>}	N[6](C[6]N[6,6]HH)(C[6]N[6]O)(CH3){1|C<4>,2|C<3>}	H(C[6]N[6,6]N[6]H)	109.9080	0.013	2	109.9080	0.000	2	109.9080	0.000	2	108.9389	0.831	180	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6]-3:Si-4:	C[6]-4:	C[6](N[6]C[6]Si)(C[6]N[6]O)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(SiC3)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]Si)(C[6]N[6]O)(H)2{1|Si<4>,1|C<4>,1|O<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(SiC3){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]H)	108.6595	0.635	6	108.6595	0.403	6	108.6595	0.403	6	108.9389	0.831	180	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2{1|H<1>,1|N<3>,4|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|H<1>,7|C<3>}	H(C[6]C[6]N[6]H)	109.0592	0.266	12	109.0592	0.071	12	109.0592	0.071	12	108.9389	0.831	180	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:B[6]-3:C-4:	C[6]-4:	C[6](N[6]B[6]C)(N[6]C[6]C)(H)2	N[6](C[6]N[6]HH)(B[6]N[6]H)(CCCH)	H(C[6]N[6]2H)	C[6](N[6]B[6]C)(N[6]C[6]C)(H)2{1|H<1>,2|N<3>}	N[6](C[6]N[6]HH)(B[6]N[6]H)(CCCH){1|C<3>,2|C<4>}	H(C[6]N[6]2H)	109.6915	0.040	2	109.6915	0.002	2	109.6915	0.002	2	108.9389	0.831	180	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](N[6]B[6]C)(N[6]C[6]C)(H)2	N[6](C[6]N[6]HH)(C[6]N[6]N)(CCCH)	H(C[6]N[6]2H)	C[6](N[6]B[6]C)(N[6]C[6]C)(H)2{1|H<1>,2|N<3>}	N[6](C[6]N[6]HH)(C[6]N[6]N)(CCCH){1|B<3>,2|C<4>}	H(C[6]N[6]2H)	109.6765	0.015	2	109.6765	0.000	2	109.2204	0.152	62	108.9389	0.831	180	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)(C[6]C[6]N)(CH3)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)2(H)2{1|C<3>,1|N<3>,2|H<1>}	N[6](C[6]N[6]HH)(C[6]C[6]N)(CH3){1|N<3>,2|C<4>}	H(C[6]N[6]2H)	109.2903	0.944	3	109.2903	0.891	3	109.2204	0.152	62	108.9389	0.831	180	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)(C[6]N[6]H)(CC[6a]HH)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)2(H)2{1|N<3>,3|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]H)(CC[6a]HH){3|C<4>}	H(C[6]N[6]2H)	109.3397	0.075	4	109.3397	0.006	4	109.2204	0.152	62	108.9389	0.831	180	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)(C[6]N[6]N)(CC[5a]HH)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)2(H)2{1|N<2>,1|N<3>,2|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]N)(CC[5a]HH){1|H<1>,2|C<4>}	H(C[6]N[6]2H)	109.1980	0.014	3	109.2515	0.012	4	109.2204	0.152	62	108.9389	0.831	180	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)(C[6]N[6]N)(CC[5a]HH)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)2(H)2{1|N<2>,1|N<3>,2|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]N)(CC[5a]HH){3|C<4>}	H(C[6]N[6]2H)	109.4120	0.000	1	109.2515	0.012	4	109.2204	0.152	62	108.9389	0.831	180	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)(C[6]N[6]N)(CC[6a]CH)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)2(H)2{1|N<2>,1|N<3>,2|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]N)(CC[6a]CH){3|C<4>}	H(C[6]N[6]2H)	109.3060	0.020	2	109.3060	0.000	2	109.2204	0.152	62	108.9389	0.831	180	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)(C[6]N[6]N)(CH3)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)2(H)2{1|N<2>,1|N<3>,2|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]N)(CH3){1|H<1>,2|C<4>}	H(C[6]N[6]2H)	109.0688	0.307	6	109.1831	0.075	10	109.2204	0.152	62	108.9389	0.831	180	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)(C[6]N[6]N)(CH3)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)2(H)2{1|N<2>,1|N<3>,2|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]N)(CH3){3|C<4>}	H(C[6]N[6]2H)	109.3545	0.037	4	109.1831	0.075	10	109.2204	0.152	62	108.9389	0.831	180	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)(C[6]N[6]O)(CC[6a]HH)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)2(H)2{1|N<3>,1|O<1>,2|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]O)(CC[6a]HH){3|C<4>}	H(C[6]N[6]2H)	109.0560	0.171	20	109.0560	0.029	20	109.2204	0.152	62	108.9389	0.831	180	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)(C[6]N[6]O)(CH3)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)2(H)2{1|Rh<6>,1|N<3>,1|O<1>}	N[6](C[6]N[6]HH)(C[6]N[6]O)(CH3){1|C<3>,2|C<4>}	H(C[6]N[6]2H)	110.0960	0.020	2	110.0960	0.000	2	109.2204	0.152	62	108.9389	0.831	180	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)(C[6]N[6]Rh)(CC[6a]HH)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)2(H)2{1|Rh<6>,1|N<3>,1|O<1>}	N[6](C[6]N[6]HH)(C[6]N[6]Rh)(CC[6a]HH){1|C<3>,2|C<4>}	H(C[6]N[6]2H)	110.1105	0.028	2	110.1105	0.001	2	109.2204	0.152	62	108.9389	0.831	180	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)(C[6]N[6]S)(CC[6a]HH)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)2(H)2{1|N<3>,1|S<1>,2|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]S)(CC[6a]HH){3|C<4>}	H(C[6]N[6]2H)	108.9540	0.606	4	108.9540	0.367	4	109.2204	0.152	62	108.9389	0.831	180	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)(C[6]S[6]S)(CC[6a]HH)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)2(H)2{1|S<1>,1|S<2>,2|H<1>}	N[6](C[6]N[6]HH)(C[6]S[6]S)(CC[6a]HH){2|C<4>}	H(C[6]N[6]2H)	108.6370	0.000	1	108.6370	0.000	1	109.2204	0.152	62	108.9389	0.831	180	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2	N[6](C[6]N[6]HH)(C[6]N[6]S)(CHHN)	H(C[6]N[6]2H)	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|S<1>,2|C<3>,2|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]S)(CHHN){1|C<3>,1|C<4>,1|H<1>}	H(C[6]N[6]2H)	109.2057	0.218	8	109.2057	0.048	8	109.2204	0.152	62	108.9389	0.831	180	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)	H(C[6]N[6]2H)	C[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(H)2{2|H<1>,6|C<3>}	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH){1|C<4>,2|H<1>,4|C<3>}	H(C[6]N[6]2H)	109.3895	0.005	2	109.3895	0.000	2	109.3426	0.005	5	108.9389	0.831	180	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])2(H)2	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)	H(C[6]N[6]2H)	C[6](N[6]C[6a]C[6])2(H)2{1|C<4>,4|C<3>,4|H<1>}	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH){2|C<4>,2|H<1>,4|C<3>}	H(C[6]N[6]2H)	109.3113	0.078	3	109.3113	0.006	3	109.3426	0.005	5	108.9389	0.831	180	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:1:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[4,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[4,6]H)(H)2	N[6](C[4,6]C[4,6]C[4]H)(C[6]C[6,6a]HH)(H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[4,6]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[4,6]C[4,6]C[4]H)(C[6]C[6,6a]HH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6,6a]N[6]H)	108.9825	0.019	2	108.9825	0.000	2	108.9825	0.000	2	109.0147	0.002	4	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:1:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	P[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]P[6,6]H)(H)2	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]P[6,6]H)(H)2{1|O<2>,2|N<2>,3|C<3>}	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(H){2|C<3>,2|P<4>}	H(C[6]C[6,6a]N[6]H)	109.0470	0.017	2	109.0470	0.000	2	109.0470	0.000	2	109.0147	0.002	4	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:2:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(NN)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(NN){2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	108.8820	0.023	2	108.8820	0.001	2	108.8820	0.001	2	108.8820	0.001	2	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[5,6]C)(H)2	N[6](C[5,6]C[5]2C[6])(C[6]C[5a,6]HH)(CCO)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[5,6]C)(H)2{1|C<4>,1|H<1>,4|C<3>}	N[6](C[5,6]C[5]2C[6])(C[6]C[5a,6]HH)(CCO){1|C<3>,1|C<4>,1|O<1>,2|N<3>,3|H<1>}	H(C[6]C[5a,6]N[6]H)	105.3375	4.069	2	105.3375	16.560	2	105.3375	16.560	2	109.1880	0.687	156	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CCO)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CCO){2|C<3>,2|H<1>}	H(C[6]C[5a,6]N[6]H)	109.7290	0.065	7	109.7290	0.004	7	109.6481	0.556	14	109.1880	0.687	156	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CNO)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CNO){2|C<3>,2|H<1>}	H(C[6]C[5a,6]N[6]H)	108.2775	0.261	2	108.2775	0.068	2	109.6481	0.556	14	109.1880	0.687	156	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>,2|N<3>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO){2|C<3>,2|H<1>}	H(C[6]C[5a,6]N[6]H)	110.0590	0.000	1	110.1857	1.151	3	109.6481	0.556	14	109.1880	0.687	156	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>,2|N<3>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO){2|C<3>,2|H<1>}	H(C[6]C[5a,6]N[6]H)	110.2490	1.509	2	110.1857	1.151	3	109.6481	0.556	14	109.1880	0.687	156	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO){1|C<3>,1|S<2>,2|H<1>}	H(C[6]C[5a,6]N[6]H)	109.9295	0.029	2	109.9295	0.001	2	109.6481	0.556	14	109.1880	0.687	156	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(H)2	N[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6a]HH)(CHO)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6a]HH)(CHO){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	H(C[6]C[6,6a]N[6]H)	109.4910	0.016	2	109.4910	0.000	2	109.4062	0.010	4	109.1880	0.687	156	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(H)2	N[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(CCO)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(H)2{1|H<1>,2|C<4>,3|C<3>}	N[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(CCO){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]N[6]H)	109.3215	0.047	2	109.3215	0.002	2	109.4062	0.010	4	109.1880	0.687	156	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(H)2	N[6](C[5,6]C[5]C[6]N[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(H)2{1|C<4>,1|H<1>,1|N<3>,5|C<3>}	N[6](C[5,6]C[5]C[6]N[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2){1|N<2>,1|O<1>,3|H<1>,7|C<3>}	H(C[6]C[6,6a]N[6]H)	108.7340	0.006	2	108.7340	0.000	2	108.7340	0.000	2	109.1880	0.687	156	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(COO)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]C)(H)2{1|H<1>,1|O<2>,4|C<3>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(COO){5|C<3>}	H(C[6]C[6,6a]N[6]H)	109.8710	0.064	2	109.8710	0.004	2	109.8710	0.004	2	109.1880	0.687	156	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[3]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3]C[6])(H)2	N[6](C[6]C[6,6a]HH)(C[3]C[3]2H)(C[6]N[6]C)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3]C[6])(H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]HH)(C[3]C[3]2H)(C[6]N[6]C){2|C<3>,5|H<1>}	H(C[6]C[6,6a]N[6]H)	108.8295	0.005	2	108.8295	0.000	2	108.8295	0.000	2	109.1880	0.687	156	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6,6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(CCO)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(H)2{1|H<1>,2|C<4>,3|C<3>}	N[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(CCO){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]N[6]H)	109.4300	0.021	2	109.4300	0.000	2	109.4300	0.000	2	109.1880	0.687	156	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CCO)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CCO){2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	110.1015	0.006	2	110.1015	0.000	2	109.3274	0.214	31	109.1880	0.687	156	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]O)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]O){1|F<1>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]N[6]H)	109.3830	0.037	2	109.0718	0.130	4	109.3274	0.214	31	109.1880	0.687	156	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]O)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]O){1|H<1>,3|C<3>}	H(C[6]C[6,6a]N[6]H)	108.7605	0.021	2	109.0718	0.130	4	109.3274	0.214	31	109.1880	0.687	156	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CNO)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CNO){2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	109.3715	0.473	4	109.3715	0.224	4	109.3274	0.214	31	109.1880	0.687	156	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(COO)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(COO){2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	109.6693	0.186	3	109.6693	0.034	3	109.3274	0.214	31	109.1880	0.687	156	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCO)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCO){2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	108.8765	0.016	2	108.8765	0.000	2	109.3274	0.214	31	109.1880	0.687	156	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCS)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCS){2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	108.7800	0.037	2	108.7800	0.001	2	109.3274	0.214	31	109.1880	0.687	156	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CN[5]O)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CN[5]O){2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	108.9710	0.062	2	108.9710	0.004	2	109.3274	0.214	31	109.1880	0.687	156	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CN[5a]O)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CN[5a]O){2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	109.1530	0.004	2	109.1530	0.000	2	109.3274	0.214	31	109.1880	0.687	156	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CN[6]S)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CN[6]S){2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	109.7380	1.321	2	109.7380	1.745	2	109.3274	0.214	31	109.1880	0.687	156	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(COO)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<2>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(COO){2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	109.4420	0.014	2	109.3777	0.006	4	109.3274	0.214	31	109.1880	0.687	156	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(COO)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(COO){2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	109.3135	0.052	2	109.3777	0.006	4	109.3274	0.214	31	109.1880	0.687	156	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CSS)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CSS){2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	109.4410	0.007	2	109.4410	0.000	2	109.3274	0.214	31	109.1880	0.687	156	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CSeN)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CSeN){2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	109.3680	0.020	2	109.3680	0.000	2	109.3274	0.214	31	109.1880	0.687	156	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(C[6]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(C[6]N[6]H){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6a]N[6]H)	109.5660	0.000	1	109.5660	0.000	1	109.5660	0.000	1	109.1880	0.687	156	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	P[6]-4:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]P[6])(H)2	N[6](P[6]C[6a]O[6]S)(C[6]C[6,6a]HH)(C[6a]C[6a]2)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]P[6])(H)2{1|H<1>,1|O<2>,1|S<1>,5|C<3>}	N[6](P[6]C[6a]O[6]S)(C[6]C[6,6a]HH)(C[6a]C[6a]2){2|H<1>,6|C<3>}	H(C[6]C[6,6a]N[6]H)	109.2410	0.048	2	109.2410	0.002	2	109.2410	0.002	2	109.1880	0.687	156	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]C)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]C)(N[6]C[6,6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(COO){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.8635	0.053	2	108.8635	0.003	2	108.8635	0.003	2	109.1880	0.687	156	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HH)2(CCO){3|C<3>}	H(C[6]C[6]N[6]H)	109.7038	0.354	16	109.7038	0.125	16	109.2675	0.294	43	109.1880	0.687	156	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CNO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HH)2(CNO){3|C<3>}	H(C[6]C[6]N[6]H)	109.3275	0.414	8	109.3275	0.172	8	109.2675	0.294	43	109.1880	0.687	156	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]O){1|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.0220	0.040	2	109.0220	0.002	2	109.2675	0.294	43	109.1880	0.687	156	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|P<4>,2|H<1>}	N[6](C[6]C[6]HH)2(COO){1|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.2880	0.025	2	109.2880	0.001	2	109.2675	0.294	43	109.1880	0.687	156	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]N)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]N)(N[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(COO){1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5770	0.020	2	109.5770	0.000	2	109.2675	0.294	43	109.1880	0.687	156	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]O)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]O)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]N[6]H)	109.0495	0.012	2	109.0495	0.000	2	109.2675	0.294	43	109.1880	0.687	156	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCO)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCO){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]H)	108.3940	0.031	4	108.3940	0.001	4	109.2675	0.294	43	109.1880	0.687	156	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC[5]O)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC[5]O){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]H)	108.8205	0.018	2	108.8205	0.000	2	109.2675	0.294	43	109.1880	0.687	156	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC[6]O)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC[6]O){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]H)	109.1205	0.011	2	109.1205	0.000	2	109.2675	0.294	43	109.1880	0.687	156	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]H)	108.7930	0.000	1	108.7930	0.000	1	109.2675	0.294	43	109.1880	0.687	156	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]O[6]O)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCO)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]O)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCO){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	108.2495	0.006	2	108.2495	0.000	2	109.2675	0.294	43	109.1880	0.687	156	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6a]-3:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6a]C[6])(H)2	N[6](C[6]N[5,6]HH)2(C[6a]C[6a]2)	H(C[6]N[5,6]N[6]H)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6a]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>,2|N<3>,3|C<3>}	N[6](C[6]N[5,6]HH)2(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	H(C[6]N[5,6]N[6]H)	109.5395	0.144	8	109.5395	0.021	8	109.5395	0.021	8	109.1880	0.687	156	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	N[6](C[6]N[6,6]HH)(C[6]P[6,6]HH)(CCO)	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|P<4>,6|H<1>}	N[6](C[6]N[6,6]HH)(C[6]P[6,6]HH)(CCO){1|Cu<4>,3|C<4>}	H(C[6]N[6,6]N[6]H)	108.4703	0.178	7	108.6033	0.039	15	108.6033	0.039	15	109.1880	0.687	156	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	N[6](C[6]N[6,6]HH)(C[6]P[6,6]HH)(CCO)	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|P<4>,6|H<1>}	N[6](C[6]N[6,6]HH)(C[6]P[6,6]HH)(CCO){1|Mo<9>,3|C<4>}	H(C[6]N[6,6]N[6]H)	108.6217	0.056	4	108.6033	0.039	15	108.6033	0.039	15	109.1880	0.687	156	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	N[6](C[6]N[6,6]HH)(C[6]P[6,6]HH)(CCO)	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|P<4>,6|H<1>}	N[6](C[6]N[6,6]HH)(C[6]P[6,6]HH)(CCO){1|Pt<4>,3|C<4>}	H(C[6]N[6,6]N[6]H)	108.8178	0.105	4	108.6033	0.039	15	108.6033	0.039	15	109.1880	0.687	156	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6a]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2	N[6](C[6]N[6,6]HH)2(C[6a]C[6a]2)	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2{2|C<3>,2|N<3>,6|H<1>}	N[6](C[6]N[6,6]HH)2(C[6a]C[6a]2){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	H(C[6]N[6,6]N[6]H)	108.3860	0.069	3	108.3860	0.005	3	108.3860	0.005	3	109.1880	0.687	156	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]C[6]C)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]O)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	107.5920	1.448	2	107.5920	2.097	2	107.7613	0.790	4	109.1880	0.687	156	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]C[6]H)(H)2	N[6](C[5,6]C[3,5,6]C[5,6a]H)(C[6]C[6]HH)(CC[6a]O)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[5,6]C[3,5,6]C[5,6a]H)(C[6]C[6]HH)(CC[6a]O){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]N[6]H)	107.9305	0.397	2	107.9305	0.157	2	107.7613	0.790	4	109.1880	0.687	156	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6]C)(N[6]C[6]N)(H)2	N[6](C[6]N[6]HH)2(CCO)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)(N[6]C[6]N)(H)2{1|N<3>,4|H<1>}	N[6](C[6]N[6]HH)2(CCO){1|C<4>,2|N<3>}	H(C[6]N[6]2H)	109.6038	0.096	4	109.6038	0.009	4	109.5919	0.005	8	109.1880	0.687	156	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CCO)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)2(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CCO){1|C<3>,1|C<4>,2|O<2>}	H(C[6]N[6]2H)	109.5800	0.039	4	109.5800	0.002	4	109.5919	0.005	8	109.1880	0.687	156	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](N[6]C[6]C)(N[6]C[6]N)(H)2	N[6](C[6]N[6]HH)2(NOO)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)(N[6]C[6]N)(H)2{1|N<3>,4|H<1>}	N[6](C[6]N[6]HH)2(NOO){1|C<3>,1|C<4>,1|N<3>}	H(C[6]N[6]2H)	109.5430	0.000	1	109.5430	0.000	1	109.4993	0.641	11	109.1880	0.687	156	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](N[6]C[6]N)2(H)2	N[6](C[6]N[6]HH)2(NOO)	H(C[6]N[6]2H)	C[6](N[6]C[6]N)2(H)2{1|N<3>,4|H<1>}	N[6](C[6]N[6]HH)2(NOO){1|C<3>,1|C<4>,1|N<3>}	H(C[6]N[6]2H)	109.3615	0.025	2	109.4949	0.712	10	109.4993	0.641	11	109.1880	0.687	156	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](N[6]C[6]N)2(H)2	N[6](C[6]N[6]HH)2(NOO)	H(C[6]N[6]2H)	C[6](N[6]C[6]N)2(H)2{1|N<3>,4|H<1>}	N[6](C[6]N[6]HH)2(NOO){1|C<4>,2|N<3>}	H(C[6]N[6]2H)	109.5282	0.953	8	109.4949	0.712	10	109.4993	0.641	11	109.1880	0.687	156	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[4,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4])(N[6]C[6]S)(H)2	N[6](C[6]C[4,6]HH)(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[4,6]N[6]H)	C[6](C[4,6]C[4,6]C[4])(N[6]C[6]S)(H)2{1|H<1>,2|C<3>,2|C<4>}	N[6](C[6]C[4,6]HH)(C[6]C[6]CH)(SC[6a]OO){3|C<3>}	H(C[6]C[4,6]N[6]H)	110.2230	0.000	1	110.2230	0.000	1	110.2107	0.003	3	109.0981	0.725	31	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[4,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4])(N[6]C[6]S)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[4,6]HH)(SC[6a]OO)	H(C[6]C[4,6]N[6]H)	C[6](C[4,6]C[4,6]C[4])(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[4,6]HH)(SC[6a]OO){5|C<3>}	H(C[6]C[4,6]N[6]H)	110.2045	0.080	2	110.2045	0.006	2	110.2107	0.003	3	109.0981	0.725	31	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]S)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[5a]OO)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[5a]OO){2|C<3>,2|H<1>}	H(C[6]C[5a,6]N[6]H)	110.1580	0.006	2	110.1580	0.000	2	110.1580	0.000	2	109.0981	0.725	31	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(SC[6a]OO)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(SC[6a]OO){2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	108.8790	0.024	2	108.8790	0.001	2	108.8790	0.001	2	109.0981	0.725	31	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	P[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6,6]C)(H)2	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCCH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6,6]C)(H)2{1|H<1>,1|O<2>,2|C<3>,2|N<2>}	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCCH){2|C<3>,2|P<4>}	H(C[6]C[6,6a]N[6]H)	108.7590	0.018	2	108.7590	0.000	2	109.2702	0.184	6	109.0981	0.725	31	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	P[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6,6]C)(H)2	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCHH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6,6]C)(H)2{1|H<1>,1|O<2>,2|C<3>,2|N<2>}	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCHH){2|C<3>,2|P<4>}	H(C[6]C[6,6a]N[6]H)	109.5258	0.212	4	109.5258	0.045	4	109.2702	0.184	6	109.0981	0.725	31	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6])(N[6]C[6]S)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(SCOO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]C[6])(N[6]C[6]S)(H)2{1|H<1>,2|C<3>,3|C<4>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(SCOO){3|C<3>}	H(C[6]C[6]N[6]H)	108.1060	3.062	2	108.1060	9.374	2	108.4490	1.775	7	109.0981	0.725	31	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6])(N[6]C[6]S)(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SCOO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]C[6])(N[6]C[6]S)(H)2{1|H<1>,2|C<4>,3|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SCOO){5|C<3>}	H(C[6]C[6]N[6]H)	109.0550	0.000	1	109.0550	0.000	1	108.4490	1.775	7	109.0981	0.725	31	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	108.2805	0.726	2	108.2805	0.527	2	108.4490	1.775	7	109.0981	0.725	31	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]S)(H)2{1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]H)	108.6575	0.047	2	108.6575	0.002	2	108.4490	1.775	7	109.0981	0.725	31	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	P[6]-4:P[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]P[6]2)(H)2	N[6](P[6]C[6]N[6]Mo)2(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]P[6]2)(H)2{1|Mo<6>,2|N<3>,3|C<4>}	N[6](P[6]C[6]N[6]Mo)2(C[6]C[6]HH){1|P<3>,1|P<4>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	108.8520	0.148	4	108.8520	0.022	4	108.8520	0.022	4	109.0981	0.725	31	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C[6]-3:H-1:H-1:	P[5,6]-4:C[6]-4:Si-4:	C[6]-4:	C[6](N[6]P[5,6]Si)(C[6]C[6]C)(H)2	N[6](P[5,6]C[5]2C[6])(C[6]C[6]HH)(SiC3)	H(C[6]C[6]N[6]H)	C[6](N[6]P[5,6]Si)(C[6]C[6]C)(H)2{4|C<4>}	N[6](P[5,6]C[5]2C[6])(C[6]C[6]HH)(SiC3){1|C<4>,3|C<3>,6|H<1>}	H(C[6]C[6]N[6]H)	108.8470	0.152	5	108.8470	0.023	5	108.8470	0.023	5	109.0981	0.725	31	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(N[6]C[5,6]C)(H)2	N[6](C[5,6]C[6,6a]C[5]2)(C[6]N[6]HH)(CCHH)	H(C[6]N[6]2H)	C[6](N[6]C[6,6a]S)(N[6]C[5,6]C)(H)2{1|C<4>,3|C<3>}	N[6](C[5,6]C[6,6a]C[5]2)(C[6]N[6]HH)(CCHH){1|C<4>,1|N<2>,1|S<4>,2|H<1>,3|C<3>}	H(C[6]N[6]2H)	109.4640	0.028	2	109.4640	0.001	2	109.4640	0.001	2	109.0981	0.725	31	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	5:4:3:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	Nb[3x6]-5:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Nb[3x6]C[6a])(H)2	N[6](Nb[3x6]P[3x6]N[6]2N)(C[6]C[6,6a]HH)(C[6a]C[6a]2)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Nb[3x6]C[6a])(H)2{1|H<1>,1|N<2>,1|P<4>,2|N<3>,4|C<3>}	N[6](Nb[3x6]P[3x6]N[6]2N)(C[6]C[6,6a]HH)(C[6a]C[6a]2){2|C<4>,2|H<1>,8|C<3>}	H(C[6]C[6,6a]N[6]H)	109.1047	0.274	6	109.1047	0.075	6	109.1047	0.075	6	109.1047	0.075	6	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	6:4:3:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	Nb[3x6]-6:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Nb[3x6]C[6a])(H)2	N[6](Nb[3x6]P[3x6]N[6]3N)(C[6]C[6,6a]HH)(C[6a]C[6a]2)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Nb[3x6]C[6a])(H)2{1|H<1>,1|N<2>,1|P<4>,3|N<3>,4|C<3>}	N[6](Nb[3x6]P[3x6]N[6]3N)(C[6]C[6,6a]HH)(C[6a]C[6a]2){10|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	108.7528	0.366	6	108.7528	0.134	6	108.7528	0.134	6	108.7252	0.090	10	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	6:4:3:	4:	N[6]-3:C[6,6a]-3:H-1:H-1:	Nb[3,5,6,6]-6:C[6]-4:C[6a]-3:	C[6]-4:	C[6](N[6]Nb[3,5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(H)2	N[6](Nb[3,5,6,6]P[5,6,6]C[3,5]N[3]N[6]C)(C[6]C[6,6a]HH)(C[6a]C[6a]2)	H(C[6]C[6,6a]N[6]H)	C[6](N[6]Nb[3,5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,1|P<4>,2|C<4>,2|N<3>,4|C<3>}	N[6](Nb[3,5,6,6]P[5,6,6]C[3,5]N[3]N[6]C)(C[6]C[6,6a]HH)(C[6a]C[6a]2){1|C<4>,3|H<1>,9|C<3>}	H(C[6]C[6,6a]N[6]H)	108.6838	0.206	4	108.6838	0.042	4	108.6838	0.042	4	108.7252	0.090	10	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:1:1:	8:4:3:	4:	N[6]-3:C[6,6a]-3:H-1:H-1:	Nb[3x3,5,6,6]-8:C[6]-4:C[6a]-3:	C[6]-4:	C[6](N[6]Nb[3x3,5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(H)2	N[6](Nb[3x3,5,6,6]P[5,6,6]C[3,5]S[3,3]N[3]N[6]O[3]2)(C[6]C[6,6a]HH)(C[6a]C[6a]2)	H(C[6]C[6,6a]N[6]H)	C[6](N[6]Nb[3x3,5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,1|P<4>,1|S<5>,2|N<3>,2|O<2>,4|C<3>}	N[6](Nb[3x3,5,6,6]P[5,6,6]C[3,5]S[3,3]N[3]N[6]O[3]2)(C[6]C[6,6a]HH)(C[6a]C[6a]2){1|O<1>,2|C<4>,3|H<1>,9|C<3>}	H(C[6]C[6,6a]N[6]H)	108.0590	0.608	4	108.0590	0.370	4	108.0590	0.370	4	108.0590	0.370	4	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:2:1:	3:4:1:	4:	N[6]-3:C[6a]-3:N[6]-2:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H){1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,5|C<3>}	H(C[6]C[6a]N[6]2)	108.7480	0.000	1	108.3040	0.394	2	108.3040	0.394	2	108.8505	0.530	4	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:2:1:	3:4:1:	4:	N[6]-3:C[6a]-3:N[6]-2:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H){2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,5|C<3>}	H(C[6]C[6a]N[6]2)	107.8600	0.000	1	108.3040	0.394	2	108.3040	0.394	2	108.8505	0.530	4	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:2:1:	3:4:1:	4:	N[6]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(H)	H(C[6]C[6a]N[6]O[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|F<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(H){1|H<1>,5|C<3>}	H(C[6]C[6a]N[6]O[6])	109.3970	0.031	2	109.3970	0.001	2	109.3970	0.001	2	108.8505	0.530	4	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:2:1:	3:4:2:	4:	N[6]-3:N[6]-3:O-2:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6]-4:	C[6](N[6]C[6a]N[6])2(OC)(H)	N[6](C[6a]C[6a]N[6a])(C[6]N[6]HO)(N[6]C[6])	H(C[6]N[6]2O)	C[6](N[6]C[6a]N[6])2(OC)(H){1|N<2>,5|C<3>}	N[6](C[6a]C[6a]N[6a])(C[6]N[6]HO)(N[6]C[6]){1|H<1>,1|N<3>,4|C<3>}	H(C[6]N[6]2O)	109.6380	0.000	1	109.6380	0.000	1	109.6380	0.000	1	109.6380	0.000	1	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:2:1:	3:4:3:	4:	N[6]-3:C[6]-3:C-2:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCC)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCC){2|H<1>,3|C<3>}	H(C[6]C[6]N[6]C)	107.4700	0.000	1	107.4700	0.000	1	108.4095	2.268	6	108.5504	2.029	7	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:2:1:	3:4:3:	4:	N[6]-3:C[6]-3:C-2:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CN)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CN[5]O)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CN)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CN[5]O){2|H<1>,3|C<3>}	H(C[6]C[6]N[6]C)	108.3755	1.404	2	108.3755	1.970	2	108.4095	2.268	6	108.5504	2.029	7	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:2:1:	3:4:3:	4:	N[6]-3:C[6]-3:C-2:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]O)(CC)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]C)(C[6]C[6]O)(CC)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[6]N[6]C)	108.7453	2.018	3	108.7453	4.073	3	108.4095	2.268	6	108.5504	2.029	7	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:2:1:	3:4:3:	4:	N[6]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(CCH)	H(C[6]C[6a]N[6]O[6])	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(CCH){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6a]N[6]O[6])	109.3960	0.000	1	109.3960	0.000	1	109.3960	0.000	1	108.5504	2.029	7	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:2:1:	3:4:4:	4:	C[6]-3:N[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(OC)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(OC)(H){1|C<4>,1|N<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3){1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6]N[6]O)	108.0883	1.276	3	108.0883	1.629	3	107.9137	1.208	4	108.2587	1.237	7	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:2:1:	3:4:4:	4:	C[6]-3:N[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(OH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(OH)(H){1|C<4>,1|N<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3){1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6]N[6]O)	107.3900	0.000	1	107.3900	0.000	1	107.9137	1.208	4	108.2587	1.237	7	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:2:1:	3:4:4:	4:	C[6]-3:N[6]-3:O-2:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(OH)(H)	N[6](C[6]C[6]N[6])(C[6]C[6]HO)(CH3)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6]H)(N[6]C[6]C)(OH)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]N[6])(C[6]C[6]HO)(CH3){1|Pt<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(C[6]C[6]N[6]O)	108.2850	0.000	1	108.2850	0.000	1	109.1585	1.526	2	108.2587	1.237	7	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:2:1:	3:4:4:	4:	C[6]-3:N[6]-3:O-2:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[5,6]O)(N[6]C[6]C)(OC)(H)	N[6](C[6]C[5,6]O)(C[6]C[6]HO)(CH3)	H(C[6]C[6]N[6]O)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(OC)(H){1|O<1>,2|C<4>}	N[6](C[6]C[5,6]O)(C[6]C[6]HO)(CH3){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	H(C[6]C[6]N[6]O)	110.0320	0.000	1	110.0320	0.000	1	109.1585	1.526	2	108.2587	1.237	7	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:2:1:	3:4:4:	4:	C[6]-3:N[6]-3:S-2:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[5,6]O)(N[6]C[6]C)(SC)(H)	N[6](C[6]C[5,6]O)(C[6]C[6]HS)(CH3)	H(C[6]C[6]N[6]S)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(SC)(H){1|O<1>,2|C<4>}	N[6](C[6]C[5,6]O)(C[6]C[6]HS)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	H(C[6]C[6]N[6]S)	107.8390	0.000	1	107.8390	0.000	1	107.8390	0.000	1	108.2587	1.237	7	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:2:1:	4:2:3:	4:	C[6]-3:N[6]-3:O-2:H-1:	C[6]-4:N[6]-2:C-3:	C[6]-4:	C[6](C[6]C[6]C)(N[6]N[6]C)(OC)(H)	N[6](C[6]C[6]HO)(N[6]C[6])(CC[6a]O)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6]C)(N[6]N[6]C)(OC)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]HO)(N[6]C[6])(CC[6a]O){1|C<4>,2|C<3>}	H(C[6]C[6]N[6]O)	111.0690	0.000	1	111.0690	0.000	1	111.0690	0.000	1	109.2190	6.845	2	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:2:1:	4:2:3:	4:	C[6]-3:N[6]-3:O-2:H-1:	C[6]-4:O[6]-2:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(N[6]O[6]C)(OH)(H)	N[6](C[6]C[6]HO)(O[6]C[6])(CCO)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6a]C[6])(N[6]O[6]C)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6]HO)(O[6]C[6])(CCO){2|C<3>,2|C<4>}	H(C[6]C[6]N[6]O)	107.3690	0.000	1	107.3690	0.000	1	107.3690	0.000	1	109.2190	6.845	2	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:2:1:	4:3:1:	4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(OC)(H)	N[6](C[6]C[6,6a]HO)(C[6]N[6]H)(H)	H(C[6]C[6,6a]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(OC)(H){1|N<3>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HO)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	H(C[6]C[6,6a]N[6]O)	107.3980	0.000	1	107.3980	0.000	1	108.0480	0.845	2	107.6430	0.213	9	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:2:1:	4:3:1:	4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(OH)(H)	N[6](C[6]C[6,6a]HO)(C[6]C[6]O)(H)	H(C[6]C[6,6a]N[6]O)	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(OH)(H){1|C<4>,1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]HO)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	H(C[6]C[6,6a]N[6]O)	108.6980	0.000	1	108.6980	0.000	1	108.0480	0.845	2	107.6430	0.213	9	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:2:1:	4:3:1:	4:	C[6a]-3:N[6]-3:N[6]-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6a]N[6]H)(C[6]N[6]N)(H)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(H){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	N[6](C[6]C[6a]N[6]H)(C[6]N[6]N)(H){3|C<3>}	H(C[6]C[6a]N[6]2)	107.4520	0.201	6	107.4520	0.040	6	107.5273	0.073	7	107.6430	0.213	9	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:2:1:	4:3:1:	4:	C[6a]-3:N[6]-3:N[6]-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6a]N[6]H)(C[6]N[6]S)(H)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(H){1|N<3>,1|S<1>,1|S<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]N[6]S)(H){1|H<1>,3|C<3>}	H(C[6]C[6a]N[6]2)	107.9790	0.000	1	107.9790	0.000	1	107.5273	0.073	7	107.6430	0.213	9	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:2:1:	4:3:3:	4:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(CC[6a]O)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(CC[6a]O){1|H<1>,2|C<3>}	H(C[6]C[6,6a]N[6]C)	108.0670	0.000	1	108.0670	0.000	1	108.0670	0.000	1	107.0404	1.158	16	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:2:1:	4:3:3:	4:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])(C[6a]C[6a]2)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC)(H){1|H<1>,1|N<2>,5|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	H(C[6]C[6,6a]N[6]C)	108.5860	0.369	2	108.5860	0.136	2	108.5860	0.136	2	107.0404	1.158	16	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:2:1:	4:3:3:	4:	N[6]-3:C[6a]-3:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6])(H)	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6])(H){1|C<4>,2|H<1>,6|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C){3|H<1>,5|C<3>}	H(C[6]C[6a]N[6]2)	107.3670	0.000	1	107.3670	0.000	1	107.3670	0.000	1	107.0404	1.158	16	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:2:1:	4:3:3:	4:	N[6]-3:C[6a]-3:S[6]-2:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H)	N[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)	H(C[6]C[6a]N[6]S[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	N[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	H(C[6]C[6a]N[6]S[6])	106.6510	0.000	1	106.2869	0.110	8	106.2869	0.110	8	107.0404	1.158	16	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:2:1:	4:3:3:	4:	N[6]-3:C[6a]-3:S[6]-2:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H)	N[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)	H(C[6]C[6a]N[6]S[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	N[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	H(C[6]C[6a]N[6]S[6])	105.7870	0.000	1	106.2869	0.110	8	106.2869	0.110	8	107.0404	1.158	16	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:2:1:	4:3:3:	4:	N[6]-3:C[6a]-3:S[6]-2:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H)	N[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)	H(C[6]C[6a]N[6]S[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H){1|O<1>,2|H<1>,6|C<3>}	N[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	H(C[6]C[6a]N[6]S[6])	106.3095	0.276	6	106.2869	0.110	8	106.2869	0.110	8	107.0404	1.158	16	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:2:1:	4:3:3:	4:	N[6]-3:C[6a]-3:S[6]-2:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6])(H)	N[6](C[6]C[6a]S[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	H(C[6]C[6a]N[6]S[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6])(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	N[6](C[6]C[6a]S[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6a]N[6]S[6])	107.4365	1.336	4	107.4365	1.784	4	107.4365	1.784	4	107.0404	1.158	16	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:2:1:	4:3:4:	4:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN)(H)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN)(H){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){1|I<1>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]C)	107.9440	0.000	1	107.9163	0.004	3	107.9163	0.004	3	107.4891	1.428	7	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:2:1:	4:3:4:	4:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN)(H)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN)(H){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	H(C[6]C[6,6a]N[6]C)	107.9025	0.084	2	107.9163	0.004	3	107.9163	0.004	3	107.4891	1.428	7	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:2:1:	4:3:4:	4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(OC)(H)	N[6](C[6]C[6,6a]HO)(C[6]C[6]O)(SC[6a]OO)	H(C[6]C[6,6a]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(OC)(H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6]C[6,6a]HO)(C[6]C[6]O)(SC[6a]OO){1|H<1>,2|C<3>}	H(C[6]C[6,6a]N[6]O)	109.0980	0.000	1	109.0980	0.000	1	109.0980	0.000	1	107.4891	1.428	7	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:2:1:	4:3:4:	4:	C[6]-3:N[6]-3:C-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CN)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CN)(H){1|O<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]C)	107.2160	0.000	1	107.2160	0.000	1	107.2160	0.000	1	107.4891	1.428	7	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:2:1:	4:3:4:	4:	C[6]-3:N[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(OC)(H)	N[6](C[6]C[6]HO)(C[6]C[6]O)(CC[6a]HH)	H(C[6]C[6]N[6]O)	C[6](C[6]N[6]O)(N[6]C[6]C)(OC)(H){1|O<1>,2|C<4>}	N[6](C[6]C[6]HO)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]O)	105.1990	0.000	1	105.1990	0.000	1	105.1990	0.000	1	107.4891	1.428	7	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:2:1:	4:3:4:	4:	C[6a]-3:N[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]B[6])(H)	N[6](C[6]C[6a]O[6]H)(C[6]N[6]H)(CC3)	H(C[6]C[6a]N[6]O[6])	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]B[6])(H){1|N<3>,3|H<1>,4|C<3>}	N[6](C[6]C[6a]O[6]H)(C[6]N[6]H)(CC3){1|B<4>,1|C<4>,2|C<3>}	H(C[6]C[6a]N[6]O[6])	107.1620	0.000	1	107.1620	0.000	1	107.1620	0.000	1	107.4891	1.428	7	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:2:1:	4:4:3:	4:	C[5a,6]-3:N[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(OC)(H)	N[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(CC[5]O)	H(C[6]C[5a,6]N[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(CC[5]O){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5a,6]N[6]O)	110.3000	0.000	1	110.3000	0.000	1	110.3000	0.000	1	108.6860	1.573	8	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:2:1:	4:4:3:	4:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO){2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]C)	108.0775	0.136	2	108.0775	0.019	2	107.9673	0.046	3	108.6860	1.573	8	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:2:1:	4:4:3:	4:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(COO)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(COO){2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]C)	107.7470	0.000	1	107.7470	0.000	1	107.9673	0.046	3	108.6860	1.573	8	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:2:1:	4:4:3:	4:	C[6,6a]-3:N[6]-3:C-2:H-1:	Si[6]-4:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Si[6])(CN)(H)	N[6](Si[6]C[6a]O[6]O)(C[6]C[6,6a]CH)(C[6a]C[6a]2)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Si[6])(CN)(H){1|H<1>,2|O<2>,5|C<3>}	N[6](Si[6]C[6a]O[6]O)(C[6]C[6,6a]CH)(C[6a]C[6a]2){1|H<1>,1|N<2>,6|C<3>}	H(C[6]C[6,6a]N[6]C)	108.3870	0.000	1	108.3870	0.000	1	108.3870	0.000	1	108.6860	1.573	8	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:2:1:	4:4:3:	4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(OH)(H)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]HO)(COO)	H(C[6]C[6,6a]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(OH)(H){1|C<4>,1|H<1>,4|C<3>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]HO)(COO){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]O)	109.1800	0.000	1	109.1800	0.000	1	109.1800	0.000	1	108.6860	1.573	8	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:2:1:	4:4:3:	4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(OC)(H)	N[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CC[5]O)	H(C[6]C[6,6a]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CC[5]O){2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]O)	110.6440	0.000	1	110.6440	0.000	1	110.6440	0.000	1	108.6860	1.573	8	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:2:1:	4:4:3:	4:	N[6]-3:C[6a]-3:C[6]-2:H-1:	C[6]-4:C[6]-4:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6])(H)	N[6](C[6]C[6a]C[6]H)2(C[6a]C[6a]2)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6])(H){1|N<2>,3|H<1>,6|C<3>}	N[6](C[6]C[6a]C[6]H)2(C[6a]C[6a]2){2|H<1>,8|C<3>}	H(C[6]C[6a]C[6]N[6])	107.0750	0.000	1	107.0750	0.000	1	107.0750	0.000	1	108.6860	1.573	8	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:2:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6]-4:S[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]C)(OC)(H)	N[6](C[6]C[6,6a]HO)(S[6]O[6]OO)(CC[3]HH)	H(C[6]C[6,6a]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]C)(OC)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	N[6](C[6]C[6,6a]HO)(S[6]O[6]OO)(CC[3]HH){2|C<3>}	H(C[6]C[6,6a]N[6]O)	108.2650	0.000	1	108.2650	0.000	1	108.2650	0.000	1	108.2650	0.000	1	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:3:4:	4:	N[6]-3:C[6]-3:C-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CNO)(H)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(CNO)(H){1|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH){1|H<1>,1|O<2>,7|C<3>}	H(C[6]C[6]N[6]C)	108.3020	0.000	1	108.3020	0.000	1	108.3020	0.000	1	108.2220	0.013	2	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:3:4:	4:	N[6]-3:N[6]-3:C-3:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]C)(CCH)(H)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]CH)	H(C[6]N[6]2C)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]C)(CCH)(H){1|O<1>,4|C<3>}	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]CH){1|C<4>,2|H<1>,4|C<3>}	H(C[6]N[6]2C)	108.1420	0.000	1	108.1420	0.000	1	108.1420	0.000	1	108.2220	0.013	2	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:1:	4:	C[5]-3:N[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5]C[5]N[5])(N[6]C[6,6a]H)(N[6]C[6]N)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]N[6]H)(H)	H(C[6]C[5]N[6]2)	C[6](C[5]C[5]N[5])(N[6]C[6,6a]H)(N[6]C[6]N)(H){1|Fe<6>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]N[6]H)(H){1|H<1>,2|N<3>,4|C<3>}	H(C[6]C[5]N[6]2)	107.9815	0.276	2	107.9815	0.076	2	107.9815	0.076	2	107.8488	6.900	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:1:	4:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(H)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<2>,2|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(H){1|H<1>,1|N<3>,5|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	108.9430	0.000	1	108.5330	0.310	5	108.5330	0.310	5	107.8488	6.900	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:1:	4:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(H)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){2|H<1>,7|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(H){1|H<1>,1|N<3>,5|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	108.4305	0.586	4	108.5330	0.310	5	108.5330	0.310	5	107.8488	6.900	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:1:	4:	C[5a]-3:N[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(N[6]C[6a]C[6])(N[6]C[6,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(H)	H(C[6]C[5a]N[6]2)	C[6](C[5a]C[5a]O[5a])(N[6]C[6a]C[6])(N[6]C[6,6a]H)(H){1|H<1>,1|O<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(H){1|H<1>,1|O<2>,5|C<3>}	H(C[6]C[5a]N[6]2)	108.3260	0.000	1	108.3260	0.000	1	108.3260	0.000	1	107.8488	6.900	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:1:	4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(H){1|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.6780	0.000	1	107.6780	0.000	1	107.6780	0.000	1	107.8488	6.900	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:1:	4:	C[6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|H<1>,1|N<2>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	108.3450	0.000	1	99.2349	165.988	2	99.2349	165.988	2	107.8488	6.900	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:1:	4:	C[6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|H<1>,1|N<2>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	90.1248	0.000	1	99.2349	165.988	2	99.2349	165.988	2	107.8488	6.900	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:1:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(N[6]C[6]H)(H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6a]N[6]H)(H)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(N[6]C[6]H)(H){1|H<1>,1|O<2>,5|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6a]N[6]H)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6a]N[6]2)	109.6470	0.000	1	109.6470	0.000	1	109.6470	0.000	1	107.8488	6.900	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:1:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]C[6]N)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]C[6]N)(H){1|H<1>,1|O<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,2|N<2>,4|C<3>}	H(C[6]C[6a]N[6]2)	107.9425	0.218	2	107.9425	0.048	2	107.9425	0.048	2	107.8488	6.900	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:1:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6,6]C[6a])(C[6]C[6a]N[6]H)(H)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(N[6]C[6]H)(H){1|H<1>,1|O<2>,5|C<3>}	N[6](C[6]C[6,6]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,1|N<3>,5|C<3>}	H(C[6]C[6a]N[6]2)	109.6820	0.000	1	109.6820	0.000	1	109.6820	0.000	1	107.8488	6.900	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:1:	4:	N[5,6]-3:C[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[5a]C[5a]O[5a])(N[6]C[6,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[5a]H)(H)	H(C[6]N[5,6]C[5a]N[6])	C[6](N[5,6]C[5,6a]C[5,6])(C[5a]C[5a]O[5a])(N[6]C[6,6a]H)(H){1|H<1>,1|N<3>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[5a]H)(H){1|H<1>,1|O<2>,5|C<3>}	H(C[6]N[5,6]C[5a]N[6])	108.5740	0.000	1	108.5740	0.000	1	108.5740	0.000	1	107.8488	6.900	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:1:	4:	N[5,6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H)	H(C[6]N[5,6]C[6a]N[6])	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H){1|H<1>,1|N<3>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H){1|H<1>,1|N<2>,5|C<3>}	H(C[6]N[5,6]C[6a]N[6])	108.3140	0.000	1	108.3140	0.000	1	108.3140	0.000	1	107.8488	6.900	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:1:	4:	N[5,6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H)	H(C[6]N[5,6]C[6a]N[6])	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	H(C[6]N[5,6]C[6a]N[6])	107.8970	0.068	3	107.8970	0.005	3	107.7714	0.032	5	107.8488	6.900	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:1:	4:	N[5,6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H)	H(C[6]N[5,6]C[6a]N[6])	C[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,1|O<2>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H){1|H<1>,6|C<3>}	H(C[6]N[5,6]C[6a]N[6])	107.5830	0.044	2	107.5830	0.002	2	107.7714	0.032	5	107.8488	6.900	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:1:	4:	N[5a,6]-3:C[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[5a]C[5a]S[5a])(N[6]C[6,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[5a]H)(H)	H(C[6]N[5a,6]C[5a]N[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[5a]C[5a]S[5a])(N[6]C[6,6a]H)(H){1|H<1>,1|N<2>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[5a]H)(H){1|H<1>,1|S<2>,5|C<3>}	H(C[6]N[5a,6]C[5a]N[6])	108.4435	0.668	2	108.4435	0.447	2	108.4435	0.447	2	107.8488	6.900	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:1:	4:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H)	H(C[6]N[5a,6]C[6a]N[6])	C[6](N[5a,6]C[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H){1|H<1>,6|C<3>}	H(C[6]N[5a,6]C[6a]N[6])	108.0300	0.000	1	108.0300	0.000	1	108.2173	0.053	7	107.8488	6.900	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:1:	4:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H)	H(C[6]N[5a,6]C[6a]N[6])	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H){1|H<1>,1|N<2>,5|C<3>}	H(C[6]N[5a,6]C[6a]N[6])	108.3220	0.000	1	108.3220	0.000	1	108.2173	0.053	7	107.8488	6.900	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:1:	4:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H)	H(C[6]N[5a,6]C[6a]N[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,2|N<2>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H){1|H<1>,6|C<3>}	H(C[6]N[5a,6]C[6a]N[6])	108.5890	0.000	1	108.2338	0.068	5	108.2173	0.053	7	107.8488	6.900	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:1:	4:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H)	H(C[6]N[5a,6]C[6a]N[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|F<1>,1|H<1>,1|N<2>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H){1|H<1>,6|C<3>}	H(C[6]N[5a,6]C[6a]N[6])	108.3440	0.000	1	108.2338	0.068	5	108.2173	0.053	7	107.8488	6.900	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:1:	4:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H)	H(C[6]N[5a,6]C[6a]N[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|O<2>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H){1|H<1>,6|C<3>}	H(C[6]N[5a,6]C[6a]N[6])	108.2410	0.000	1	108.2338	0.068	5	108.2173	0.053	7	107.8488	6.900	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:1:	4:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H)	H(C[6]N[5a,6]C[6a]N[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H){1|H<1>,6|C<3>}	H(C[6]N[5a,6]C[6a]N[6])	107.9975	0.152	2	108.2338	0.068	5	108.2173	0.053	7	107.8488	6.900	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:1:	4:	N[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]C[6a]H)(H)	H(C[6]N[6,6a]C[6a]N[6])	C[6](N[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]C[6a]H)(H){1|H<1>,6|C<3>}	H(C[6]N[6,6a]C[6a]N[6])	107.6420	0.000	1	107.6420	0.000	1	107.6420	0.000	1	107.8488	6.900	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:1:	4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]2)(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|Br<1>,2|C<4>,4|C<3>}	H(C[6]C[6a]N[6]2)	106.6640	0.000	1	106.6640	0.000	1	108.1823	0.657	13	107.8488	6.900	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:1:	4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|O<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){2|H<1>,5|C<3>}	H(C[6]C[6a]N[6]2)	107.8420	0.000	1	108.2108	0.646	8	108.1823	0.657	13	107.8488	6.900	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:1:	4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){2|H<1>,5|C<3>}	H(C[6]C[6a]N[6]2)	109.0845	0.029	2	108.2108	0.646	8	108.1823	0.657	13	107.8488	6.900	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:1:	4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){2|H<1>,5|C<3>}	H(C[6]C[6a]N[6]2)	107.5247	0.137	3	108.2108	0.646	8	108.1823	0.657	13	107.8488	6.900	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:1:	4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){2|H<1>,5|C<3>}	H(C[6]C[6a]N[6]2)	108.5505	1.084	2	108.2108	0.646	8	108.1823	0.657	13	107.8488	6.900	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:1:	4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,1|O<1>,5|C<3>}	H(C[6]C[6a]N[6]2)	108.1290	0.000	1	108.1290	0.000	1	108.1823	0.657	13	107.8488	6.900	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:1:	4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]S)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]S)(H){2|N<2>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	H(C[6]C[6a]N[6]2)	108.1630	0.000	1	108.1630	0.000	1	108.1823	0.657	13	107.8488	6.900	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:1:	4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]S[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]S[6]H)(H){1|H<1>,1|O<2>,3|C<3>,3|O<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|S<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]N[6]2)	108.8640	0.346	2	108.8640	0.120	2	108.1823	0.657	13	107.8488	6.900	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:1:	4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[5a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[5a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,1|S<2>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,6|C<3>}	H(C[6]C[6a]N[6]2)	108.3810	0.000	1	108.0160	0.266	2	107.9918	0.072	5	107.8488	6.900	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:1:	4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[5a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[5a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,6|C<3>}	H(C[6]C[6a]N[6]2)	107.6510	0.000	1	108.0160	0.266	2	107.9918	0.072	5	107.8488	6.900	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:1:	4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|Pd<4>,2|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,6|C<3>}	H(C[6]C[6a]N[6]2)	108.0330	0.021	2	107.9757	0.010	3	107.9918	0.072	5	107.8488	6.900	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:1:	4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,6|C<3>}	H(C[6]C[6a]N[6]2)	107.8610	0.000	1	107.9757	0.010	3	107.9918	0.072	5	107.8488	6.900	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:2:	4:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]N[6])(NHN)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]HN)(N[6]C[6])	H(C[6]C[6,6a]N[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]N[6])(NHN)(H){1|H<1>,1|N<2>,4|C<3>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]HN)(N[6]C[6]){2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]N)	105.0410	0.000	1	105.0410	0.000	1	105.0410	0.000	1	106.2495	2.921	2	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:2:	4:	N[6]-3:C[6]-3:N-3:H-1:	C[6a]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](N[6]C[6a]O[6])(C[6]C[6]H)(NCH)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])	H(C[6]C[6]N[6]N)	C[6](N[6]C[6a]O[6])(C[6]C[6]H)(NCH)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]N)	107.4580	0.000	1	107.4580	0.000	1	107.4580	0.000	1	106.2495	2.921	2	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CNO)(H)	N[6](C[6,6a]C[6,6a]2)(C[6]C[6,6a]CH)(CCO)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CNO)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]2)(C[6]C[6,6a]CH)(CCO){1|O<2>,4|C<3>}	H(C[6]C[6,6a]N[6]C)	107.8800	0.000	1	107.8800	0.000	1	107.8800	0.000	1	107.5026	0.987	16	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C[6a])(C[6a]C[6a]2)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C[6a])(C[6a]C[6a]2)(H){1|N<3>,3|H<1>,7|C<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,8|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.6590	0.000	1	107.6590	0.000	1	107.6590	0.000	1	107.5026	0.987	16	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,8|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2){2|H<1>,9|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	108.7510	0.000	1	108.7510	0.000	1	108.7510	0.000	1	107.5026	0.987	16	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:3:	4:	C[6a]-3:N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]C)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]C)(C[6]C[6]H)(H){2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO){2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.5550	0.000	1	107.5550	0.000	1	107.5550	0.000	1	107.5026	0.987	16	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:3:	4:	N[6]-3:C[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]C[6a])(C[6]C[6a]N[6])(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]C[6a])(C[6]C[6a]N[6])(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2){1|N<2>,3|H<1>,7|C<3>}	H(C[6]C[6a]C[6]N[6])	107.7300	0.000	1	107.7300	0.000	1	107.7300	0.000	1	107.5026	0.987	16	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:3:	4:	N[6]-3:C[6]-3:N-3:H-1:	C[6a]-3:C[6]-4:N[6]-3:	C[6]-4:	C[6](N[6]C[6a]N[6])(C[6]C[6]H)(NCH)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HN)(N[6]C[6]C)	H(C[6]C[6]N[6]N)	C[6](N[6]C[6a]N[6])(C[6]C[6]H)(NCH)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HN)(N[6]C[6]C){3|C<3>,4|H<1>}	H(C[6]C[6]N[6]N)	109.2240	0.000	1	109.2240	0.000	1	109.2240	0.000	1	107.5026	0.987	16	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:3:	4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCO)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCO){2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.0750	0.000	1	107.0750	0.000	1	107.4167	0.135	3	107.5026	0.987	16	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:3:	4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CHO)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Cl<1>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CHO){2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.3690	0.000	1	107.3690	0.000	1	107.4167	0.135	3	107.5026	0.987	16	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:3:	4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H)(CHO)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Cl<1>,1|N<2>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H)(CHO){1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.8060	0.000	1	107.8060	0.000	1	107.4167	0.135	3	107.5026	0.987	16	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:3:	4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){3|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]2){3|H<1>,8|C<3>}	H(C[6]C[6a]N[6]2)	108.0310	0.000	1	108.0310	0.000	1	108.0310	0.000	1	107.5026	0.987	16	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:3:	4:	N[6]-3:N[6]-3:B-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])2(BCN)(H)	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O)	H(C[6]N[6]2B)	C[6](N[6]C[6a]C[6])2(BCN)(H){1|C<4>,2|O<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O){4|C<3>,4|C<4>}	H(C[6]N[6]2B)	106.9080	0.044	2	106.9080	0.002	2	106.9080	0.002	2	107.5026	0.987	16	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:3:	4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[5a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[5a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[5a]N[5a]S[5a])(C[6]C[6a]N[6]H)(C[6]C[6,6a]O)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[5a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,1|S<2>,4|C<3>}	N[6](C[5a]N[5a]S[5a])(C[6]C[6a]N[6]H)(C[6]C[6,6a]O){1|H<1>,6|C<3>}	H(C[6]C[6a]N[6]2)	108.3680	0.000	1	108.3680	0.000	1	108.3680	0.000	1	107.5026	0.987	16	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:3:	4:	N[6]-3:N[6]-3:N-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])2(NHH)(H)	N[6](C[6a]C[6a]2)(C[6]N[6]HN)(C[6]C[6]O)	H(C[6]N[6]2N)	C[6](N[6]C[6a]C[6])2(NHH)(H){1|C<4>,2|O<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]HN)(C[6]C[6]O){4|C<3>,4|C<4>}	H(C[6]N[6]2N)	105.5075	0.066	2	105.5075	0.004	2	105.5075	0.004	2	107.5026	0.987	16	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:3:	4:	N[6]-3:N[6]-3:P-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])2(PC[6a]2)(H)	N[6](C[6a]C[6a]2)(C[6]N[6]HP)(C[6]C[6]O)	H(C[6]N[6]2P)	C[6](N[6]C[6a]C[6])2(PC[6a]2)(H){1|C<4>,2|O<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]HP)(C[6]C[6]O){4|C<3>,4|C<4>}	H(C[6]N[6]2P)	107.7620	0.000	1	107.7620	0.000	1	107.7620	0.000	1	107.5026	0.987	16	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:4:	4:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]N[5a,6])(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(CCHH)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6a]N[5a,6])(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(CCHH){1|H<1>,1|N<3>,5|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	107.5520	0.000	1	107.5520	0.000	1	107.5520	0.000	1	107.5632	0.947	23	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:4:	4:	C[5a]-3:N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6,6a]C)(C[6]N[6]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CC[6a]HH)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6,6a]C)(C[6]N[6]O)(H){1|N<3>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[6]C[5a]C[6]N[6])	105.9300	0.000	1	105.9300	0.000	1	105.9300	0.000	1	107.5632	0.947	23	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:4:	4:	C[6]-3:N[6]-3:C-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CHH)(H)	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CCCH)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CHH)(H){1|O<1>,2|C<4>}	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CCCH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]C)	104.6110	0.000	1	104.6110	0.000	1	106.1910	1.987	3	107.5632	0.947	23	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:4:	4:	C[6]-3:N[6]-3:C-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCH)(H)	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CC[6a]HH)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCH)(H){1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CC[6a]HH){1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[6]N[6]C)	106.9810	0.478	2	106.9810	0.228	2	106.1910	1.987	3	107.5632	0.947	23	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:4:	4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[5a,6]S)(C[6a]C[6a]2)(C[6]C[6]H)(H)	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]C[6]H)(SC[6a]OO)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[5a,6]S)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|H<1>,5|C<3>}	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]C[6]H)(SC[6a]OO){1|H<1>,1|O<2>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.7810	0.000	1	107.7810	0.000	1	107.7810	0.000	1	107.5632	0.947	23	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:4:	4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.2770	0.000	1	107.2770	0.000	1	107.4157	0.020	3	107.5632	0.947	23	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:4:	4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]O[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]O[6]C)(H){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|H<1>,1|O<2>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.4850	0.106	2	107.4850	0.011	2	107.4157	0.020	3	107.5632	0.947	23	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:4:	4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]H)(H){3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO){2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.3900	0.000	1	107.3900	0.000	1	107.8560	0.434	2	107.5632	0.947	23	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:4:	4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]N)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]N)(H){3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO){1|H<1>,1|N<3>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	108.3220	0.000	1	108.3220	0.000	1	107.8560	0.434	2	107.5632	0.947	23	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:4:	4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH){2|H<1>,5|C<3>}	H(C[6]C[6a]N[6]2)	108.7660	0.000	1	108.7660	0.000	1	108.2815	0.469	2	107.5632	0.947	23	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:4:	4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CH3)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]O)(H){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CH3){1|H<1>,1|O<1>,5|C<3>}	H(C[6]C[6a]N[6]2)	107.7970	0.000	1	107.7970	0.000	1	108.2815	0.469	2	107.5632	0.947	23	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:4:	4:	N[6]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]C)(CCH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CC[6a]HH)	H(C[6]N[6]2C)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]C)(CCH)(H){1|O<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CC[6a]HH){1|H<1>,4|C<3>}	H(C[6]N[6]2C)	108.0850	0.000	1	108.0850	0.000	1	108.0850	0.000	1	107.5632	0.947	23	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:4:	4:	N[6]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(N[6]S[6]C)(CC[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(SC[6a]OO)	H(C[6]N[6]2C)	C[6](N[6]C[6,6a]S)(N[6]S[6]C)(CC[6a]C)(H){2|C<3>,2|O<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(SC[6a]OO){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[6]N[6]2C)	107.4470	0.000	1	107.4470	0.000	1	107.4470	0.000	1	107.5632	0.947	23	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:4:	4:	N[6]-3:N[6]-3:C-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CCC)(H)	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CC[5a]HH)	H(C[6]N[6]2C)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CCC)(H){1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CC[5a]HH){1|H<1>,2|C<3>}	H(C[6]N[6]2C)	109.2910	0.000	1	109.2910	0.000	1	108.0687	0.727	6	107.5632	0.947	23	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:4:	4:	N[6]-3:N[6]-3:C-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CCC)(H)	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CC[6a]HH)	H(C[6]N[6]2C)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CCC)(H){1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CC[6a]HH){1|H<1>,2|C<3>}	H(C[6]N[6]2C)	109.0090	0.000	1	109.0090	0.000	1	108.0687	0.727	6	107.5632	0.947	23	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:4:	4:	N[6]-3:N[6]-3:C-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CCH)(H)	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CC[6a]HH)	H(C[6]N[6]2C)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CCH)(H){1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CC[6a]HH){1|H<1>,2|C<3>}	H(C[6]N[6]2C)	107.5690	0.183	3	107.5690	0.033	3	108.0687	0.727	6	107.5632	0.947	23	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:4:	4:	N[6]-3:N[6]-3:C-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(N[6]C[6]C)(CC[6a]C)(H)	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CH3)	H(C[6]N[6]2C)	C[6](N[6]C[6,6a]S)(N[6]C[6]C)(CC[6a]C)(H){1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CH3){1|S<4>,2|C<3>}	H(C[6]N[6]2C)	107.4050	0.000	1	107.4050	0.000	1	108.0687	0.727	6	107.5632	0.947	23	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:4:	4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]C)2(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5]HH)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]C)2(C[6a]C[6a]2)(H){2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5]HH){1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[6a]N[6]2)	108.4180	0.000	1	108.4180	0.000	1	107.8255	0.702	2	107.5632	0.947	23	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	3:4:4:	4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]C)2(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5a]HH)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]C)2(C[6a]C[6a]2)(H){2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5a]HH){1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[6a]N[6]2)	107.2330	0.000	1	107.2330	0.000	1	107.8255	0.702	2	107.5632	0.947	23	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:2:3:	4:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6]-4:N[6]-2:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]C)(NCN)(H)	N[6](C[6]C[6,6a]HN)(N[6]C[6])(CCC)	H(C[6]C[6,6a]N[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]C)(NCN)(H){1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]HN)(N[6]C[6])(CCC){1|H<1>,2|C<3>}	H(C[6]C[6,6a]N[6]N)	106.7880	0.000	1	106.7880	0.000	1	106.7880	0.000	1	107.2835	0.491	2	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:2:3:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-2:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]N[6]C)(H)	N[6](C[6]C[6a]N[6]H)(N[6]C[6])(CCO)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]N[6]C)(H){3|C<3>,4|H<1>}	N[6](C[6]C[6a]N[6]H)(N[6]C[6])(CCO){2|C<4>,3|C<3>}	H(C[6]C[6a]N[6]2)	107.7790	0.000	1	107.7790	0.000	1	107.7790	0.000	1	107.2835	0.491	2	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[5a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5a]C[5a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[5a]C[6]H)(C[6]N[6]O)(H)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|Cl<1>,1|N<2>,1|O<1>,2|C<4>,2|N<3>}	N[6](C[6]C[5a]C[6]H)(C[6]N[6]O)(H){1|H<1>,4|C<3>}	H(C[6]C[5a]C[6]N[6])	107.4530	0.000	1	107.4530	0.000	1	108.1620	0.190	6	108.0112	0.812	140	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[5a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5a]C[5a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[5a]C[6]H)(C[6]N[6]S)(H)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<1>,1|S<2>}	N[6](C[6]C[5a]C[6]H)(C[6]N[6]S)(H){1|H<1>,4|C<3>}	H(C[6]C[5a]C[6]N[6])	108.5600	0.240	2	108.5600	0.058	2	108.1620	0.190	6	108.0112	0.812	140	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[5a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[5a]C[6]H)(C[6]N[6]S)(H)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]N[5a])(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|S<1>,2|N<3>}	N[6](C[6]C[5a]C[6]H)(C[6]N[6]S)(H){1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[5a]C[6]N[6])	108.0640	0.000	1	108.0640	0.000	1	108.1620	0.190	6	108.0112	0.812	140	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[5a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[5a]C[6]H)(C[6]N[6]O)(H)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[6]C[5a]C[6]H)(C[6]N[6]O)(H){1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[5a]C[6]N[6])	107.9900	0.000	1	107.9900	0.000	1	108.1620	0.190	6	108.0112	0.812	140	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[5a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[5a]C[6]H)(C[6]N[6]S)(H)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	N[6](C[6]C[5a]C[6]H)(C[6]N[6]S)(H){1|H<1>,1|S<2>,3|C<3>}	H(C[6]C[5a]C[6]N[6])	108.3450	0.000	1	108.3450	0.000	1	108.1620	0.190	6	108.0112	0.812	140	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[6,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]N)(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|F<1>,2|N<3>,3|C<3>,3|H<1>}	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]N)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6]C[6a]N[6])	107.9300	0.089	2	107.8593	0.019	3	108.0083	0.101	4	108.0112	0.812	140	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[6,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]N)(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,2|N<3>,3|C<3>,4|H<1>}	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]N)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6]C[6a]N[6])	107.7180	0.000	1	107.8593	0.019	3	108.0083	0.101	4	108.0112	0.812	140	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[6,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]S)(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|S<1>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]S)(H){1|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]N[6])	108.4550	0.000	1	108.4550	0.000	1	108.0083	0.101	4	108.0112	0.812	140	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]H)(H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|N<3>,3|C<3>,3|H<1>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]H)(H){1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.3080	0.000	1	107.3080	0.000	1	107.4093	0.685	7	108.0112	0.812	140	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]C)(H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]C)(H){4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.9950	0.000	1	107.9950	0.000	1	107.4093	0.685	7	108.0112	0.812	140	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(H){1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.6620	0.000	1	107.6620	0.000	1	107.4093	0.685	7	108.0112	0.812	140	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]S)(H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,1|S<2>,2|C<3>,2|N<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]S)(H){4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	106.9790	0.000	1	106.9790	0.000	1	107.4093	0.685	7	108.0112	0.812	140	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<2>,2|H<1>,6|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(H){4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	108.1940	0.000	1	108.1940	0.000	1	107.4093	0.685	7	108.0112	0.812	140	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(H){4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	106.8635	1.515	2	106.8635	2.296	2	107.4093	0.685	7	108.0112	0.812	140	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[6,6a]-3:N[5]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]N[6,6a]N[6a])(N[5]C[5,5]C[5])(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]N[5]H)(C[6]C[6]O)(H)	H(C[6]C[6,6a]N[5]N[6])	C[6](C[6,6a]N[6,6a]N[6a])(N[5]C[5,5]C[5])(N[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	N[6](C[6]C[6,6a]N[5]H)(C[6]C[6]O)(H){1|H<1>,1|N<2>,1|N<3>,3|C<4>}	H(C[6]C[6,6a]N[5]N[6])	108.4970	0.000	1	108.4970	0.000	1	108.4970	0.000	1	108.0112	0.812	140	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]H)(CHH)(H)	N[6](C[6]C[6]CH)(C[6]N[6]S)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]C)(N[6]C[6]H)(CHH)(H){1|C<4>,1|N<3>,1|S<1>}	N[6](C[6]C[6]CH)(C[6]N[6]S)(H){1|H<1>,2|C<3>}	H(C[6]C[6]N[6]C)	108.3790	0.000	1	108.3790	0.000	1	108.3790	0.000	1	108.0112	0.812	140	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|C<4>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.8910	0.000	1	107.9480	0.006	2	108.0060	0.881	97	108.0112	0.812	140	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.0050	0.000	1	107.9480	0.006	2	108.0060	0.881	97	108.0112	0.812	140	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H){6|C<3>}	H(C[6]C[6a]C[6]N[6])	108.3360	0.129	2	108.4880	0.078	3	108.0060	0.881	97	108.0112	0.812	140	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H){6|C<3>}	H(C[6]C[6a]C[6]N[6])	108.7920	0.000	1	108.4880	0.078	3	108.0060	0.881	97	108.0112	0.812	140	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(H){1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.7997	0.288	3	107.9107	0.105	4	108.0060	0.881	97	108.0112	0.812	140	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(H){4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.2440	0.000	1	107.9107	0.105	4	108.0060	0.881	97	108.0112	0.812	140	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.9797	0.263	3	107.7277	0.417	41	108.0060	0.881	97	108.0112	0.812	140	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|C<4>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.7775	0.465	2	107.7277	0.417	41	108.0060	0.881	97	108.0112	0.812	140	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.7015	0.759	28	107.7277	0.417	41	108.0060	0.881	97	108.0112	0.812	140	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|O<2>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.2190	0.000	1	107.7277	0.417	41	108.0060	0.881	97	108.0112	0.812	140	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.7810	0.000	1	107.7277	0.417	41	108.0060	0.881	97	108.0112	0.812	140	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.7833	0.250	6	107.7277	0.417	41	108.0060	0.881	97	108.0112	0.812	140	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.9127	0.599	3	108.0513	0.269	38	108.0060	0.881	97	108.0112	0.812	140	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.7405	0.735	2	108.0513	0.269	38	108.0060	0.881	97	108.0112	0.812	140	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.8470	0.000	1	108.0513	0.269	38	108.0060	0.881	97	108.0112	0.812	140	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.0780	0.438	26	108.0513	0.269	38	108.0060	0.881	97	108.0112	0.812	140	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|S<1>,2|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.6010	0.000	1	108.0513	0.269	38	108.0060	0.881	97	108.0112	0.812	140	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.1105	1.034	4	108.0513	0.269	38	108.0060	0.881	97	108.0112	0.812	140	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|S<1>,2|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.8100	0.000	1	108.0513	0.269	38	108.0060	0.881	97	108.0112	0.812	140	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)(H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(H){1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	108.7400	0.000	1	108.7400	0.000	1	108.0060	0.881	97	108.0112	0.812	140	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)(H){1|N<3>,1|S<1>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	108.1227	0.383	3	108.1227	0.147	3	108.0060	0.881	97	108.0112	0.812	140	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(H){1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	108.5670	0.000	1	108.5670	0.000	1	108.0060	0.881	97	108.0112	0.812	140	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]N[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	108.3090	0.000	1	108.3090	0.000	1	108.0060	0.881	97	108.0112	0.812	140	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	112.1125	4.051	2	110.2690	18.401	3	108.0060	0.881	97	108.0112	0.812	140	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6a]C[6]N[6])	106.5820	0.000	1	110.2690	18.401	3	108.0060	0.881	97	108.0112	0.812	140	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]N[6]2)	107.5610	0.000	1	108.0300	4.016	3	107.9248	1.226	9	108.0112	0.812	140	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H){1|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H){1|H<1>,4|C<3>}	H(C[6]C[6a]N[6]2)	108.2645	2.775	2	108.0300	4.016	3	107.9248	1.226	9	108.0112	0.812	140	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6a]N[6]H)(C[6]N[6]S)(H)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<2>,1|S<1>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]N[6]S)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6a]N[6]2)	107.5138	0.248	4	107.5138	0.061	4	107.9248	1.226	9	108.0112	0.812	140	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6]H)2(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]2)(N[6]C[6]H)2(H){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H){2|H<1>,3|C<3>}	H(C[6]C[6a]N[6]2)	108.5890	0.008	2	108.5890	0.000	2	107.9248	1.226	9	108.0112	0.812	140	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H){1|C<4>,4|C<3>}	H(C[6]C[6a]N[6]2)	108.7233	0.069	3	108.7233	0.005	3	108.3079	0.734	13	108.0112	0.812	140	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|O<1>,4|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H){1|H<1>,4|C<3>}	H(C[6]C[6a]N[6]2)	106.7520	0.000	1	108.1833	0.903	10	108.3079	0.734	13	108.0112	0.812	140	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H){1|H<1>,4|C<3>}	H(C[6]C[6a]N[6]2)	109.1800	0.014	2	108.1833	0.903	10	108.3079	0.734	13	108.0112	0.812	140	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H){1|H<1>,4|C<3>}	H(C[6]C[6a]N[6]2)	107.5750	0.152	3	108.1833	0.903	10	108.3079	0.734	13	108.0112	0.812	140	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H){1|H<1>,4|C<3>}	H(C[6]C[6a]N[6]2)	108.4990	0.919	4	108.1833	0.903	10	108.3079	0.734	13	108.0112	0.812	140	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]O)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]C)(O)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]O)(H){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]C)(O){1|C<4>,4|C<3>}	H(C[6]C[6a]N[6]2)	107.8120	0.000	1	107.8120	0.000	1	107.9620	0.045	2	108.0112	0.812	140	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]O)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]C)(O)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]C)(O){1|H<1>,4|C<3>}	H(C[6]C[6a]N[6]2)	108.1120	0.000	1	108.1120	0.000	1	107.9620	0.045	2	108.0112	0.812	140	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:2:	4:	C[5a,6]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6a]-3:O[6]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]O[6])(CCH)(H)	N[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(O[6]C[6])	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]O[6])(CCH)(H){1|C<4>,1|N<3>,4|C<3>}	N[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(O[6]C[6]){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5a,6]N[6]C)	107.4770	0.000	1	107.4770	0.000	1	107.4770	0.000	1	107.5317	0.634	6	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:2:	4:	C[6,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:Ge[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2)(H)	N[6](C[6]C[6,6]C[6a]H)(C[6a]C[6a]2)(Ge[6]N[6])	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	N[6](C[6]C[6,6]C[6a]H)(C[6a]C[6a]2)(Ge[6]N[6]){3|C<4>,6|C<3>}	H(C[6]C[6,6]C[6a]N[6])	106.2960	0.000	1	106.2960	0.000	1	106.2960	0.000	1	107.5317	0.634	6	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:2:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:N-2:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]C[6]N)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(NC)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]C[6]N)(H){1|H<1>,1|O<1>,4|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(NC){1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6a]N[6]2)	107.7380	0.000	1	107.7380	0.000	1	107.7380	0.000	1	107.5317	0.634	6	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:2:	4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6]-4:	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]O[6]O)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6])	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]O[6]O)(H){2|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	108.1010	0.000	1	108.1010	0.000	1	108.1010	0.000	1	107.5317	0.634	6	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:2:	4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:O[6]-2:	C[6]-4:	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6]){1|O<2>,3|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	108.5440	0.000	1	108.5440	0.000	1	108.5440	0.000	1	107.5317	0.634	6	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:2:	4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:N-2:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]N)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(NC)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]N)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(NC){1|H<1>,4|C<3>}	H(C[6]C[6a]N[6]2)	107.0340	0.000	1	107.0340	0.000	1	107.0340	0.000	1	107.5317	0.634	6	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:3:	4:	B[6,6]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](B[6,6]C[6,6]2)(N[6]C[6a]C[6])2(H)	N[6](C[6]B[6,6]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	H(C[6]B[6,6]N[6]2)	C[6](B[6,6]C[6,6]2)(N[6]C[6a]C[6])2(H){2|H<1>,2|O<1>,4|C<3>,5|C<4>}	N[6](C[6]B[6,6]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O){4|C<3>,6|C<4>}	H(C[6]B[6,6]N[6]2)	105.9925	0.062	2	105.9925	0.004	2	105.9925	0.004	2	107.5727	1.119	61	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:3:	4:	C[5,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6])(CCO)	H(C[6]C[5,6]C[6a]N[6])	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(N[6]C[6]C)(H){4|H<1>,6|C<3>}	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6])(CCO){1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[5,6]C[6a]N[6])	108.2020	0.000	1	108.2020	0.000	1	108.2020	0.000	1	107.5727	1.119	61	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:3:	4:	C[5]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[5]C[5]N[5])(N[6]C[6,6a]H)(N[6]C[6]N)(H)	N[6](C[6]C[5]N[6]H)(C[6]C[6,6a]O)(NFeC)	H(C[6]C[5]N[6]2)	C[6](C[5]C[5]N[5])(N[6]C[6,6a]H)(N[6]C[6]N)(H){1|Fe<6>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[6](C[6]C[5]N[6]H)(C[6]C[6,6a]O)(NFeC){1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[5]N[6]2)	107.9560	0.000	1	107.9560	0.000	1	107.9560	0.000	1	107.5727	1.119	61	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	N[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]C)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,2|H<1>,8|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,2|H<1>,6|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	108.5050	0.000	1	108.1920	0.196	2	108.1920	0.196	2	107.5727	1.119	61	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	N[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]C)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){2|H<1>,9|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,2|H<1>,6|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	107.8790	0.000	1	108.1920	0.196	2	108.1920	0.196	2	107.5727	1.119	61	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:3:	4:	C[5a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(N[6]C[6a]C[6])(N[6]C[6,6a]H)(H)	N[6](C[6]C[5a]N[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)	H(C[6]C[5a]N[6]2)	C[6](C[5a]C[5a]O[5a])(N[6]C[6a]C[6])(N[6]C[6,6a]H)(H){1|H<1>,1|O<1>,6|C<3>}	N[6](C[6]C[5a]N[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2){1|O<2>,3|H<1>,5|C<3>}	H(C[6]C[5a]N[6]2)	108.3540	0.000	1	108.3540	0.000	1	108.3540	0.000	1	107.5727	1.119	61	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6a]C[6])(H)	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)	H(C[6]C[6,6a]C[5a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6a]C[6])(H){1|N<2>,1|N<3>,2|H<1>,7|C<3>}	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6a]C[6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	H(C[6]C[6,6a]C[5a]N[6])	108.8270	0.000	1	108.8270	0.000	1	108.3885	0.385	2	107.5727	1.119	61	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6a]C[6])(H)	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6a]N[6])(C[6a]C[6a]2)	H(C[6]C[6,6a]C[5a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6a]C[6])(H){1|N<2>,1|N<3>,2|H<1>,7|C<3>}	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6a]N[6])(C[6a]C[6a]2){2|H<1>,8|C<3>}	H(C[6]C[6,6a]C[5a]N[6])	107.9500	0.000	1	107.9500	0.000	1	108.3885	0.385	2	107.5727	1.119	61	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(CCO)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){3|H<1>,6|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(CCO){1|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.2950	0.000	1	107.2950	0.000	1	107.2950	0.000	1	107.5727	1.119	61	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:S-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)(SCO)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)(SCO){2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	106.7337	0.396	3	106.7337	0.157	3	106.7337	0.157	3	107.5727	1.119	61	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[5a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]C[5a])(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]H)(COO)	H(C[6]C[6,6a]N[5a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]C[5a])(N[6]C[6]C)(H){3|H<1>,6|C<3>}	N[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]H)(COO){1|H<1>,4|C<3>}	H(C[6]C[6,6a]N[5a]N[6])	108.2490	0.082	2	108.2490	0.007	2	108.2490	0.007	2	107.5727	1.119	61	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCN)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(COO)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCN)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	H(C[6]C[6,6a]N[6]C)	106.1640	0.000	1	106.1640	0.000	1	107.4960	3.548	2	107.5727	1.119	61	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CNP)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(COO)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CNP)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	H(C[6]C[6,6a]N[6]C)	108.8280	0.000	1	108.8280	0.000	1	107.4960	3.548	2	107.5727	1.119	61	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6]-3:C[5]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[5]C[5]2)(H)	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6]C[6,6a]C[5]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[5]C[5]2)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,6|C<3>}	H(C[6]C[6,6a]C[5]N[6])	107.3400	0.000	1	107.3400	0.000	1	107.3400	0.000	1	107.5727	1.119	61	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6]-3:C[5a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[5a]N[5a]2)(H)	N[6](C[6]C[6,6a]C[5a]H)(C[6a]C[6a]2)(C[6]O[6]O)	H(C[6]C[6,6a]C[5a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[5a]N[5a]2)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<2>,4|C<3>}	N[6](C[6]C[6,6a]C[5a]H)(C[6a]C[6a]2)(C[6]O[6]O){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5a]N[6])	108.8477	0.418	3	108.8477	0.175	3	108.8477	0.175	3	107.5727	1.119	61	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]N[6]H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]N[6]H){2|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	110.3110	0.000	1	110.3110	0.000	1	110.3110	0.000	1	107.5727	1.119	61	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NCH)(H)	N[6](C[6]C[6,6a]HN)(C[6]C[6a]N[6])(C[6a]C[6a]2)	H(C[6]C[6,6a]N[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NCH)(H){1|H<1>,1|N<2>,5|C<3>}	N[6](C[6]C[6,6a]HN)(C[6]C[6a]N[6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	H(C[6]C[6,6a]N[6]N)	107.8950	0.246	2	107.8950	0.061	2	107.8950	0.061	2	107.5727	1.119	61	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:B-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]B)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(BC[6a]2)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]B)(H){3|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(BC[6a]2){2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.6320	0.000	1	107.6320	0.000	1	107.6320	0.000	1	107.5727	1.119	61	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CCH)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CCH){1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.5140	0.000	1	107.5140	0.000	1	107.3942	0.155	5	107.5727	1.119	61	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CCO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CCO){1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.0230	0.000	1	107.0230	0.000	1	107.3942	0.155	5	107.5727	1.119	61	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CCO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CCO){1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.3930	0.000	1	107.3930	0.000	1	107.3942	0.155	5	107.5727	1.119	61	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCC)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(H){1|S<2>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCC){2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.9870	0.000	1	107.9870	0.000	1	107.3942	0.155	5	107.5727	1.119	61	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(CCO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(H){2|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(CCO){2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.0540	0.000	1	107.0540	0.000	1	107.3942	0.155	5	107.5727	1.119	61	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(CC[6a]O)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H){1|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(CC[6a]O){2|H<1>,3|C<3>}	H(C[6]C[6a]N[6]2)	104.1210	0.566	2	104.1210	0.320	2	104.1210	0.320	2	107.5727	1.119	61	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:3:	4:	N[6]-3:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(C[6a]C[6a]2)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	107.0810	0.000	1	107.0810	0.000	1	107.0810	0.000	1	107.5727	1.119	61	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:3:	4:	N[6]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]N[6])(N[6]C[6]Cr)(H)	N[6](C[6]C[6]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C)	H(C[6]C[6]N[6]2)	C[6](N[6]C[6a]C[6])(C[6]C[6]N[6])(N[6]C[6]Cr)(H){1|H<1>,2|C<4>,5|C<3>}	N[6](C[6]C[6]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|Cr<6>,1|H<1>,1|N<3>,2|C<4>,4|C<3>}	H(C[6]C[6]N[6]2)	105.8100	0.000	1	105.8100	0.000	1	105.8100	0.000	1	107.5727	1.119	61	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O){3|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	108.8600	0.000	1	108.8600	0.000	1	108.0725	1.240	2	107.5727	1.119	61	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]O)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]O)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.2850	0.000	1	107.2850	0.000	1	108.0725	1.240	2	107.5727	1.119	61	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:3:	4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](N[6]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(CCC)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){3|H<1>,6|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(CCC){5|C<3>}	H(C[6]C[6a]N[6]2)	108.0490	0.000	1	108.0490	0.000	1	108.0490	0.000	1	107.5727	1.119	61	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:3:	4:	N[6]-3:C[6a]-3:S[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6]O)(H)	N[6](C[6]C[6a]S[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	H(C[6]C[6a]N[6]S[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6]O)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	N[6](C[6]C[6a]S[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	H(C[6]C[6a]N[6]S[6])	106.2935	0.405	2	106.2987	0.082	3	106.2987	0.082	3	107.5727	1.119	61	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:3:	4:	N[6]-3:C[6a]-3:S[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6]O)(H)	N[6](C[6]C[6a]S[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	H(C[6]C[6a]N[6]S[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6]O)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	N[6](C[6]C[6a]S[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	H(C[6]C[6a]N[6]S[6])	106.3090	0.000	1	106.2987	0.082	3	106.2987	0.082	3	107.5727	1.119	61	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:3:	4:	N[6]-3:N[6]-3:B[5]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])2(B[5]O[5]2)(H)	N[6](C[6]B[5]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	H(C[6]B[5]N[6]2)	C[6](N[6]C[6a]C[6])2(B[5]O[5]2)(H){2|O<1>,3|C<4>,4|C<3>}	N[6](C[6]B[5]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O){2|O<2>,4|C<3>,4|C<4>}	H(C[6]B[5]N[6]2)	107.9935	0.033	2	107.9935	0.001	2	107.9935	0.001	2	107.5727	1.119	61	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:3:	4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[5a]-3:	C[6]-4:	C[6](N[6]C[5a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(C[5a]N[5a]2)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[5a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(C[5a]N[5a]2){2|H<1>,6|C<3>}	H(C[6]C[6a]N[6]2)	107.6680	0.000	1	107.6680	0.000	1	107.6680	0.000	1	107.5727	1.119	61	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:3:	4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(C[6a]C[6a]2)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,6|C<3>}	H(C[6]C[6a]N[6]2)	107.8740	0.000	1	107.8740	0.000	1	107.9867	0.010	3	107.5727	1.119	61	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:3:	4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]Pd)(C[6a]C[6a]2)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|Pd<4>,2|H<1>,6|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]Pd)(C[6a]C[6a]2){1|H<1>,2|C<4>,6|C<3>}	H(C[6]C[6a]N[6]2)	108.0430	0.044	2	108.0430	0.002	2	107.9867	0.010	3	107.5727	1.119	61	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:3:	4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H)	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H){4|H<1>,8|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,2|H<1>,6|C<3>}	H(C[6]C[6a]N[6]2)	107.8912	0.161	13	107.8912	0.026	13	107.8536	0.044	14	107.5727	1.119	61	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:3:	4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H)	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,7|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	H(C[6]C[6a]N[6]2)	107.3640	0.000	1	107.3640	0.000	1	107.8536	0.044	14	107.5727	1.119	61	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:3:	4:	N[6]-3:S[6]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(S[6]C[6,6a]O)(C[6a]C[6a]2)(H)	N[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)	H(C[6]C[6a]N[6]S[6])	C[6](N[6]C[6a]C[6])(S[6]C[6,6a]O)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,6|C<3>}	N[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	H(C[6]C[6a]N[6]S[6])	106.9160	0.000	1	106.9160	0.000	1	106.9160	0.000	1	107.5727	1.119	61	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:4:	4:	C[5a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(CH3)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(CH3){1|C<4>,4|C<3>}	H(C[6]C[5a]C[6]N[6])	107.4040	0.000	1	107.4040	0.000	1	107.4040	0.000	1	107.7012	1.527	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:4:	4:	C[6,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]S)(H)	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(SC[6a]OO)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(SC[6a]OO){1|C<4>,4|C<3>}	H(C[6]C[6,6]C[6a]N[6])	107.5080	0.000	1	107.5080	0.000	1	107.5080	0.000	1	107.7012	1.527	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:4:	4:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]C[5a]H)(C[6]N[6]O)(CC[6a]HH)	H(C[6]C[6,6a]C[5a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]C)(H){1|O<1>,2|H<1>,2|N<3>,4|C<3>}	N[6](C[6]C[6,6a]C[5a]H)(C[6]N[6]O)(CC[6a]HH){1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5a]N[6])	106.4550	0.000	1	106.4550	0.000	1	108.1777	1.359	6	107.7012	1.527	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:4:	4:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]O)(CC[6a]HH)	H(C[6]C[6,6a]C[5a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|N<2>}	N[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]O)(CC[6a]HH){1|N<2>,1|N<3>,2|C<3>}	H(C[6]C[6,6a]C[5a]N[6])	108.7265	0.894	4	108.5222	0.808	5	108.1777	1.359	6	107.7012	1.527	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:4:	4:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]O)(CC[6a]HH)	H(C[6]C[6,6a]C[5a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|N<2>,3|C<3>}	N[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]O)(CC[6a]HH){1|N<2>,1|N<3>,2|C<3>}	H(C[6]C[6,6a]C[5a]N[6])	107.7050	0.000	1	108.5222	0.808	5	108.1777	1.359	6	107.7012	1.527	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:4:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6])(CC[6a]HH)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|N<2>,3|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6])(CC[6a]HH){6|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.5980	0.000	1	107.5980	0.000	1	107.5980	0.000	1	107.7012	1.527	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:4:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]N)(SC[6a]OO)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|N<3>,3|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]N)(SC[6a]OO){1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.2730	0.000	1	107.2730	0.000	1	107.7750	0.741	4	107.7012	1.527	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:4:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]S)(SC[6a]OO)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|S<2>,3|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]S)(SC[6a]OO){1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	108.5460	0.000	1	108.5460	0.000	1	107.7750	0.741	4	107.7012	1.527	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:4:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(SC[6a]OO)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(SC[6a]OO){4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	108.4590	0.000	1	108.4590	0.000	1	107.7750	0.741	4	107.7012	1.527	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:4:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]S[6]C)(SC[6a]OO)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|S<2>,3|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]S[6]C)(SC[6a]OO){4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	106.8220	0.000	1	106.8220	0.000	1	107.7750	0.741	4	107.7012	1.527	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:4:	4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCH)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]O)(SC[6a]OO)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]O)(SC[6a]OO){2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]C)	108.6580	0.000	1	108.6580	0.000	1	108.5035	0.048	2	107.7012	1.527	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:4:	4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCH)(H)	N[6](C[6]C[6,6a]CH)(C[6]N[6]O)(SC[6a]OO)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]N[6]O)(SC[6a]OO){1|H<1>,2|C<3>}	H(C[6]C[6,6a]N[6]C)	108.3490	0.000	1	108.3490	0.000	1	108.5035	0.048	2	107.7012	1.527	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:4:	4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(COO)(H)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(COO)(H){1|H<1>,1|O<2>,6|C<3>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]CH){2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]C)	108.0460	0.000	1	108.0460	0.000	1	108.0460	0.000	1	107.7012	1.527	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:4:	4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,4|H<1>,6|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|F<1>,3|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.8180	0.000	1	107.1825	5.025	12	107.1825	5.025	12	107.7012	1.527	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:4:	4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,4|H<1>,6|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.6384	0.642	5	107.1825	5.025	12	107.1825	5.025	12	107.7012	1.527	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:4:	4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|O<2>,3|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	109.1400	0.000	1	107.1825	5.025	12	107.1825	5.025	12	107.7012	1.527	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:4:	4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,2|F<1>,3|H<1>,6|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	106.7040	0.000	1	107.1825	5.025	12	107.1825	5.025	12	107.7012	1.527	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:4:	4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|F<1>,3|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	106.4600	0.000	1	107.1825	5.025	12	107.1825	5.025	12	107.7012	1.527	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:4:	4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	105.9587	4.643	3	107.1825	5.025	12	107.1825	5.025	12	107.7012	1.527	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:4:	4:	C[6]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH)(H){1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	106.6740	0.000	1	106.6740	0.000	1	107.6880	0.774	3	107.7012	1.527	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:4:	4:	C[6]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCO)(H){1|O<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]C)	108.2520	0.000	1	108.2520	0.000	1	107.6880	0.774	3	107.7012	1.527	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:4:	4:	C[6]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(COO)(H){1|O<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]C)	108.1380	0.000	1	108.1380	0.000	1	107.6880	0.774	3	107.7012	1.527	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:4:	4:	C[6]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6]N[6]C)(N[6]C[6]S)(CCH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]C)(N[6]C[6]S)(CCH)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(SC[6a]OO){1|N<3>,2|C<3>}	H(C[6]C[6]N[6]C)	106.8890	0.000	1	106.8890	0.000	1	106.8890	0.000	1	107.7012	1.527	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:4:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CC[6a]2H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|Cl<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CC[6a]2H){1|C<4>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.5710	0.000	1	108.2745	0.176	2	107.8377	0.196	8	107.7012	1.527	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:4:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CC[6a]2H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){3|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CC[6a]2H){1|C<4>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.9780	0.000	1	108.2745	0.176	2	107.8377	0.196	8	107.7012	1.527	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:4:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CC[5a]HH)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CC[5a]HH){4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.4520	0.000	1	107.4520	0.000	1	107.8377	0.196	8	107.7012	1.527	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:4:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CC[6a]HH)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CC[6a]HH){4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.9640	0.000	1	107.9640	0.000	1	107.8377	0.196	8	107.7012	1.527	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:4:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CC[6a]HH)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]C)(H){1|N<2>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CC[6a]HH){1|N<3>,1|O<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.6843	0.430	4	107.6843	0.185	4	107.8377	0.196	8	107.7012	1.527	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:4:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(SC[6a]OO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S)(H){2|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(SC[6a]OO){1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.8120	0.000	1	107.8120	0.000	1	107.8120	0.000	1	107.7012	1.527	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:4:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6]O)(CC[5a]HH)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(N[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6]O)(CC[5a]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]N[6]2)	108.0565	0.166	2	108.0565	0.028	2	108.0565	0.028	2	107.7012	1.527	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:4:	4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](N[6]C[5,6,6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[5,6,6]O)(CC[5a]HH)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[5,6,6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[5,6,6]O)(CC[5a]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]N[6]2)	107.4880	0.000	1	107.4880	0.000	1	107.4880	0.000	1	107.7012	1.527	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:3:4:	4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H)	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H){4|H<1>,8|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|H<1>,7|C<3>}	H(C[6]C[6a]N[6]2)	107.8452	0.173	6	107.8452	0.030	6	107.8452	0.030	6	107.7012	1.527	50	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:4:1:	4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,4|C<3>,5|H<1>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H){1|N<3>,5|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	108.1670	0.000	2	108.1670	0.000	2	108.1670	0.000	2	107.1840	2.955	4	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:4:1:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O)(H)	N[6](C[6]C[6,6a]C[6a]H)2(O)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O)(H){1|H<1>,3|C<4>,6|C<3>}	N[6](C[6]C[6,6a]C[6a]H)2(O){7|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	106.2010	2.236	2	106.2010	4.999	2	106.2010	4.999	2	107.1840	2.955	4	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:4:2:	4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C-4:N[6]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(N[6]N[6]C)(H)	N[6](C[6]C[5a,6]C[6a]H)(CC[6a]HH)(N[6]N[6])	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(N[6]N[6]C)(H){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(CC[6a]HH)(N[6]N[6]){4|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	105.0990	0.000	1	105.0990	0.000	1	105.0990	0.000	1	106.8280	3.545	3	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:4:2:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]N)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6]H)(NO)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]N)(H){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6]H)(NO){2|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	106.5510	0.000	1	106.5510	0.000	1	106.5510	0.000	1	106.8280	3.545	3	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:4:2:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C-4:N[6]-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]N[6]C)(H)	N[6](C[6]C[6a]C[6]H)(CC[6a]HH)(N[6]N[6])	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]N[6]C)(H){1|N<2>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6]H)(CC[6a]HH)(N[6]N[6]){4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.8340	0.000	1	108.8340	0.000	1	108.8340	0.000	1	106.8280	3.545	3	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:4:3:	4:	C[5,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(COO)	H(C[6]C[5,6]C[6a]N[6])	C[6](C[5,6]C[5,6]N[5])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|C<3>,4|H<1>}	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(COO){1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6a]N[6])	107.1400	0.000	1	107.1400	0.000	1	107.1400	0.000	1	106.9272	0.579	32	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:4:3:	4:	C[5a,6]-3:C[5a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a]O[5a])(N[6]C[6]C)(H)	N[6](C[6]C[5a,6]C[5a]H)(C[6]C[6]CH)(CCO)	H(C[6]C[5a,6]C[5a]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[5a]C[5a]O[5a])(N[6]C[6]C)(H){1|C<4>,3|H<1>,5|C<3>}	N[6](C[6]C[5a,6]C[5a]H)(C[6]C[6]CH)(CCO){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[5a]N[6])	108.7600	0.000	1	108.7600	0.000	1	108.7600	0.000	1	106.9272	0.579	32	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:4:3:	4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(CC[6a]O)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<4>,4|C<3>,4|H<1>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(CC[6a]O){1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	107.4340	0.000	1	107.4340	0.000	1	107.8805	0.399	2	106.9272	0.579	32	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:4:3:	4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(COO)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(COO){2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	108.3270	0.000	1	108.3270	0.000	1	107.8805	0.399	2	106.9272	0.579	32	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:4:3:	4:	C[5a,6]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(COO)(H)	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(CCO)	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(COO)(H){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(CCO){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[5a,6]N[6]C)	108.1630	0.000	1	108.1630	0.000	1	108.1630	0.000	1	106.9272	0.579	32	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:4:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(CC[5]H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|C<3>,5|H<1>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(CC[5]H){2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.6610	0.000	1	107.6610	0.000	1	106.7217	0.708	3	106.9272	0.579	32	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:4:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6]H)(CCO)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6]H)(CCO){2|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	106.2520	0.305	2	106.2520	0.093	2	106.7217	0.708	3	106.9272	0.579	32	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:4:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CCC)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6]H)2(CCC){2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	106.3790	0.000	1	106.3790	0.000	1	106.3715	0.397	10	106.9272	0.579	32	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:4:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CCO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(CCO){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.0620	0.000	1	106.3500	0.208	6	106.3715	0.397	10	106.9272	0.579	32	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:4:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CCO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(CCO){2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	106.2076	0.329	5	106.3500	0.208	6	106.3715	0.397	10	106.9272	0.579	32	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:4:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CC[6a]O)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(CC[6a]O){2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	105.7685	0.210	2	105.7685	0.044	2	106.3715	0.397	10	106.9272	0.579	32	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:4:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]O)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]O){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.6990	0.000	1	107.6990	0.000	1	106.3715	0.397	10	106.9272	0.579	32	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:4:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:S-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)2(SC[6a]O)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(SC[6a]O){2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	107.2090	0.000	1	107.2090	0.000	1	107.2090	0.000	1	106.9272	0.579	32	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:4:3:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(CCO)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(CCO){3|C<3>,3|H<1>}	H(C[6]C[6a]N[6]2)	107.6080	0.000	1	107.6080	0.000	1	107.6080	0.000	1	106.9272	0.579	32	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:4:3:	4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(C[6a]C[6a]2)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<2>,1|N<2>,3|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6]H)2(C[6a]C[6a]2){2|H<1>,8|C<3>}	H(C[6]C[6a]C[6]N[6])	106.4780	0.000	1	106.8936	0.189	11	106.8936	0.189	11	106.9272	0.579	32	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:4:3:	4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(C[6a]C[6a]2)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6]H)2(C[6a]C[6a]2){4|H<1>,8|C<3>}	H(C[6]C[6a]C[6]N[6])	106.9352	0.435	10	106.8936	0.189	11	106.8936	0.189	11	106.9272	0.579	32	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:4:3:	4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6]-4:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,7|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,9|C<3>}	H(C[6]C[6a]N[6]2)	107.3200	0.000	1	107.3200	0.000	1	107.3200	0.000	1	106.9272	0.579	32	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H){2|C<4>,4|C<3>,4|H<1>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(SC[6a]OO){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	107.1520	0.000	1	107.1520	0.000	1	107.1520	0.000	1	106.9627	0.202	8	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]S)(H)	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6]HH)(SCOO)	H(C[6]C[6,6a]C[5a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]S)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6]HH)(SCOO){2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5a]N[6])	106.3760	0.481	2	106.3760	0.231	2	106.3760	0.231	2	106.9627	0.202	8	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SCOO)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){2|C<4>,3|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SCOO){5|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.3700	0.000	1	107.3700	0.000	1	107.3700	0.000	1	106.9627	0.202	8	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:P[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H)	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]CO)(CC[6a]CH)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]CO)(CC[6a]CH){4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	106.8710	0.000	1	106.8710	0.000	1	106.8950	0.001	2	106.9627	0.202	8	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:P[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H)	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]OO)(CC[6a]CH)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H){1|O<1>,2|H<1>,2|O<2>,5|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]OO)(CC[6a]CH){4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	106.9190	0.000	1	106.9190	0.000	1	106.8950	0.001	2	106.9627	0.202	8	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[4,6]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[4,6]HH)(SC[6a]OO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[4,6]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,4|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[4,6]HH)(SC[6a]OO){5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.4440	0.000	1	107.4440	0.000	1	107.4440	0.000	1	106.9627	0.202	8	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO){2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.1940	0.000	1	107.1940	0.000	1	107.1940	0.000	1	106.9627	0.202	8	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:3:1:	4:5:1:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:P[6,6]-5:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6,6]H)(H)	N[6](C[6]C[6,6a]C[6a]H)(P[6,6]N[6]O[6]2H)(H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6,6]H)(H){1|N<3>,2|O<2>,3|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(P[6,6]N[6]O[6]2H)(H){1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.3130	0.000	1	107.3130	0.000	1	107.3130	0.000	1	107.3130	0.000	1	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:3:4:	4:	N[6]-3:N[6]-3:C-4:H-1:	C[6,6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]N[6]CH)	H(C[6]N[6]2C)	C[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]N[6]CH){2|C<4>,4|C<3>,4|H<1>}	H(C[6]N[6]2C)	107.4800	0.000	1	107.4800	0.000	1	107.4800	0.000	1	107.4800	0.000	1	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]H)(N[6]C[6]H)(CH3)(H)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[5,6]H)(N[6]C[6]H)(CH3)(H){1|O<1>,2|C<4>}	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	101.7800	0.000	1	101.7800	0.000	1	107.3907	1.801	27	108.0176	1.775	60	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C)(N[6]C[6]H)(CCCH)(H)	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]C)(N[6]C[6]H)(CCCH)(H){1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H){3|C<3>}	H(C[6]C[6]N[6]C)	108.1417	0.971	3	108.1417	0.944	3	107.3907	1.801	27	108.0176	1.775	60	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CCHH)(H)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CCHH)(H){1|O<1>,2|C<4>}	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]C)	107.1570	0.000	1	107.1570	0.000	1	107.3907	1.801	27	108.0176	1.775	60	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[5a]HH)(H)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[5a]HH)(H){1|O<1>,2|C<4>}	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]C)	108.8250	0.000	1	108.8250	0.000	1	107.3907	1.801	27	108.0176	1.775	60	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[6a]HH)(H)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[6a]HH)(H){1|O<1>,2|C<4>}	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]C)	107.0313	0.248	3	107.0313	0.062	3	107.3907	1.801	27	108.0176	1.775	60	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CH3)(H)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CH3)(H){1|O<1>,2|C<4>}	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]C)	108.2560	0.000	1	108.2560	0.000	1	107.3907	1.801	27	108.0176	1.775	60	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CHHO)(H)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CHHO)(H){1|O<1>,2|C<4>}	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,2|N<3>}	H(C[6]C[6]N[6]C)	108.3230	0.000	1	108.3230	0.000	1	107.3907	1.801	27	108.0176	1.775	60	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6,6]O)(N[6]C[6]H)(CC[6a]HH)(H)	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6,6]O)(N[6]C[6]H)(CC[6a]HH)(H){1|O<1>,2|C<4>}	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]C)	107.5945	0.637	11	107.5945	0.406	11	107.3907	1.801	27	108.0176	1.775	60	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6]HH)(H)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6]HH)(H){1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[6]N[6]C)	105.8010	0.000	1	105.8010	0.000	1	107.3907	1.801	27	108.0176	1.775	60	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]HH)(H)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[6]N[6]C)	107.4300	0.126	3	107.4300	0.016	3	107.3907	1.801	27	108.0176	1.775	60	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H)	N[6](C[6]C[4,6]O)(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[4,6]O)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[6]N[6]C)	108.0600	0.000	1	108.0600	0.000	1	107.3907	1.801	27	108.0176	1.775	60	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	C[6a]-3:N[6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(C[6]C[6]HN)(H)	N[6](C[6,6]N[6,6]C[6])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(C[6]C[6]HN)(H){1|N<3>,3|C<3>,4|H<1>}	N[6](C[6,6]N[6,6]C[6])(C[6]C[6a]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.2670	0.000	1	108.2670	0.000	1	108.2670	0.000	1	108.0176	1.775	60	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.3200	0.000	1	109.3762	2.858	4	109.1190	1.881	6	108.0176	1.775	60	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	111.8290	0.000	1	109.3762	2.858	4	109.1190	1.881	6	108.0176	1.775	60	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6]H)(H){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.6780	0.684	2	109.3762	2.858	4	109.1190	1.881	6	108.0176	1.775	60	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|H<1>,4|C<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(H){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.4690	0.000	1	108.4690	0.000	1	109.1190	1.881	6	108.0176	1.775	60	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6]H)(H){2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	108.7400	0.000	1	108.7400	0.000	1	109.1190	1.881	6	108.0176	1.775	60	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	109.3490	0.000	1	108.3627	0.934	3	108.4303	0.957	19	108.0176	1.775	60	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){3|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.3220	0.000	1	108.3627	0.934	3	108.4303	0.957	19	108.0176	1.775	60	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){4|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.4170	0.000	1	108.3627	0.934	3	108.4303	0.957	19	108.0176	1.775	60	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]FF)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]FF)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|H<1>,2|F<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.3900	0.000	1	108.3900	0.000	1	108.4303	0.957	19	108.0176	1.775	60	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	109.2070	0.078	2	108.8081	0.873	8	108.4303	0.957	19	108.0176	1.775	60	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	108.8610	0.000	1	108.8081	0.873	8	108.4303	0.957	19	108.0176	1.775	60	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	109.1650	0.000	1	108.8081	0.873	8	108.4303	0.957	19	108.0176	1.775	60	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	109.9640	0.000	1	108.8081	0.873	8	108.4303	0.957	19	108.0176	1.775	60	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.7180	0.000	1	108.8081	0.873	8	108.4303	0.957	19	108.0176	1.775	60	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,2|N<3>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.0940	0.000	1	108.8081	0.873	8	108.4303	0.957	19	108.0176	1.775	60	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	109.2490	0.000	1	108.8081	0.873	8	108.4303	0.957	19	108.0176	1.775	60	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H){4|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.6060	0.000	1	108.6060	0.000	1	108.4303	0.957	19	108.0176	1.775	60	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<2>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	106.8530	0.000	1	106.8530	0.000	1	108.4303	0.957	19	108.0176	1.775	60	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.8450	0.004	2	108.2850	0.941	3	108.4303	0.957	19	108.0176	1.775	60	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.1650	0.000	1	108.2850	0.941	3	108.4303	0.957	19	108.0176	1.775	60	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]S[6]CH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]S[6]CH)(H){1|Cl<1>,1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|S<2>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	106.7000	0.000	1	107.9595	3.173	2	108.4303	0.957	19	108.0176	1.775	60	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]S[6]CH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]S[6]CH)(H){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|S<2>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	109.2190	0.000	1	107.9595	3.173	2	108.4303	0.957	19	108.0176	1.775	60	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	N[6]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(N[6]C[6]2)(CH3)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)	H(C[6]N[6]2C)	C[6](N[6]C[6,6a]H)(N[6]C[6]2)(CH3)(H){1|H<1>,2|C<3>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[6]2C)	108.6330	0.000	1	108.6330	0.000	1	108.7718	1.518	5	108.0176	1.775	60	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	N[6]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(N[6]S[6]C)(CClHH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)	H(C[6]N[6]2C)	C[6](N[6]C[6,6a]H)(N[6]S[6]C)(CClHH)(H){2|C<3>,2|O<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[6]N[6]2C)	108.9670	0.000	1	108.9670	0.000	1	108.7718	1.518	5	108.0176	1.775	60	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	N[6]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(N[6]S[6]C)(CHHS)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)	H(C[6]N[6]2C)	C[6](N[6]C[6,6a]H)(N[6]S[6]C)(CHHS)(H){2|C<3>,2|O<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[6]N[6]2C)	107.7670	0.000	1	107.7670	0.000	1	108.7718	1.518	5	108.0176	1.775	60	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	N[6]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(N[6]S[6]H)(CC[6a]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)	H(C[6]N[6]2C)	C[6](N[6]C[6,6a]H)(N[6]S[6]H)(CC[6a]HH)(H){2|C<3>,2|O<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H){1|S<4>,2|C<3>,2|H<1>}	H(C[6]N[6]2C)	110.7550	0.000	1	110.7550	0.000	1	108.7718	1.518	5	108.0176	1.775	60	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	N[6]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(N[6]S[6]H)(CCl2H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)	H(C[6]N[6]2C)	C[6](N[6]C[6,6a]H)(N[6]S[6]H)(CCl2H)(H){2|C<3>,2|O<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H){1|S<4>,2|C<3>,2|H<1>}	H(C[6]N[6]2C)	107.7370	0.000	1	107.7370	0.000	1	108.7718	1.518	5	108.0176	1.775	60	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	N[6]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(CCCF)(H)	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(H)	H(C[6]N[6]2C)	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(CCCF)(H){1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(H){1|C<4>,2|C<3>}	H(C[6]N[6]2C)	107.2920	0.000	1	107.2920	0.000	1	107.2460	0.004	2	108.0176	1.775	60	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	N[6]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C[6a])(N[6]C[6]H)(CC[6a]CF)(H)	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(H)	H(C[6]N[6]2C)	C[6](N[6]C[6,6a]C[6a])(N[6]C[6]H)(CC[6a]CF)(H){1|O<1>,4|C<3>}	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(H){3|C<3>}	H(C[6]N[6]2C)	107.2000	0.000	1	107.2000	0.000	1	107.2460	0.004	2	108.0176	1.775	60	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:2:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:Ge[6]-2:	C[6]-4:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CC3)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(Ge[6]N[6])	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CC3)(H){1|C<4>,1|N<3>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(Ge[6]N[6]){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6]N[6]C)	105.9730	0.000	1	105.9730	0.000	1	105.9730	0.000	1	106.2123	5.688	3	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:2:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6]-4:	C[6](N[6]C[6a]N[6])(C[6]O[6]C)(CC[6a]HH)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6])	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]N[6])(C[6]O[6]C)(CC[6a]HH)(H){3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]){1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6]N[6]C)	108.7080	0.000	1	108.7080	0.000	1	108.7080	0.000	1	106.2123	5.688	3	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:2:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](N[6]C[6a]O[6])(C[6]C[6]H)(CC3)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]O[6])(C[6]C[6]H)(CC3)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]N[6]C)	103.9560	0.000	1	103.9560	0.000	1	103.9560	0.000	1	106.2123	5.688	3	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:3:	4:	C[5,6]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6a]C)(CCHH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(COO)	H(C[6]C[5,6]N[6]C)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6a]C)(CCHH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(COO){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[5,6]N[6]C)	108.6200	0.000	1	108.6200	0.000	1	108.6200	0.000	1	107.5225	0.892	29	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]C)(CCHH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CH)(CCO)	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]C)(CCHH)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CH)(CCO){1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[5a,6]N[6]C)	109.2870	0.000	1	109.2870	0.000	1	109.2870	0.000	1	107.5225	0.892	29	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:N[6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]C[6a])(C[5]C[5]N[5]H)(H)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5a,6]C[5]H)(C[6a]C[6a]2)	H(C[6]C[5a,6]C[5]N[6])	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]C[6a])(C[5]C[5]N[5]H)(H){1|N<2>,2|C<4>,4|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5a,6]C[5]H)(C[6a]C[6a]2){1|C<4>,2|N<3>,3|H<1>,5|C<3>}	H(C[6]C[5a,6]C[5]N[6])	107.6830	0.000	1	107.6830	0.000	1	107.6830	0.000	1	107.5225	0.892	29	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(CCHH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(C[6a]C[6a]2)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(CCHH)(H){1|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(C[6a]C[6a]2){3|H<1>,6|C<3>}	H(C[6]C[6,6a]N[6]C)	108.1290	0.000	1	108.1290	0.000	1	108.1290	0.000	1	107.5225	0.892	29	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:N-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]N)(CCHH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(NCC)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]N)(CCHH)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(NCC){1|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]C)	107.7700	0.000	1	107.7700	0.000	1	107.7700	0.000	1	107.5225	0.892	29	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:3:	4:	C[6a]-3:N[6]-3:C[6]-4:H-1:	C[5,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[5,6]C)(C[6]C[6]CH)(H)	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]C[6]H)(CCO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(N[6]C[5,6]C)(C[6]C[6]CH)(H){1|N<3>,1|S<2>,2|C<3>,4|H<1>}	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]C[6]H)(CCO){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.6560	0.000	1	107.6560	0.000	1	107.6560	0.000	1	107.5225	0.892	29	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:3:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCCH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCCH)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO){2|H<1>,3|C<3>}	H(C[6]C[6]N[6]C)	107.9767	0.251	3	107.9767	0.063	3	108.2489	0.203	7	107.5225	0.892	29	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:3:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(CC[6a]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]O)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(CC[6a]HH)(H){3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]N[6]C)	108.4530	0.485	4	108.4530	0.235	4	108.2489	0.203	7	107.5225	0.892	29	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:3:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]O)(CCHH)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]C[6])(C[6]N[6]O)(CCHH)(H){1|O<1>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	107.2160	0.000	1	107.2160	0.000	1	107.5440	0.215	2	107.5225	0.892	29	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:3:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]O)(CCHH)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]C[6])(C[6]N[6]O)(CCHH)(H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]N[6]C)	107.8720	0.000	1	107.8720	0.000	1	107.5440	0.215	2	107.5225	0.892	29	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:3:	4:	N[6]-3:C[6]-3:C-4:H-1:	N[5,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[6]N[5,6]C)(C[6]C[6]H)(CCHH)(H)	N[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(COO)	H(C[6]C[6]N[6]C)	C[6](N[6]N[5,6]C)(C[6]C[6]H)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(COO){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]C)	107.3490	0.000	1	107.3490	0.000	1	107.3490	0.000	1	107.5225	0.892	29	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](N[6]C[5,6]C[6a])(C[6a]C[6a]2)(C[6]C[6]HO)(H)	N[6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[5,6]C[6a])(C[6a]C[6a]2)(C[6]C[6]HO)(H){2|H<1>,7|C<3>}	N[6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(C[6a]C[6a]2){2|O<2>,4|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	106.2240	0.000	1	106.2240	0.000	1	106.2240	0.000	1	107.5225	0.892	29	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCO)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCO){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.6310	0.000	1	107.6310	0.000	1	107.3032	0.512	6	107.5225	0.892	29	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.5280	0.000	1	107.5280	0.000	1	107.3032	0.512	6	107.5225	0.892	29	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCO)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCO){3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.8560	0.000	1	107.8560	0.000	1	107.3032	0.512	6	107.5225	0.892	29	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.9850	0.000	1	107.9850	0.000	1	107.3032	0.512	6	107.5225	0.892	29	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]S[6]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCO)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]S[6]HH)(H){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCO){1|S<2>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	106.4095	0.186	2	106.4095	0.035	2	107.3032	0.512	6	107.5225	0.892	29	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:3:	4:	N[6]-3:N[6]-3:B-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])2(BHHN)(H)	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O)	H(C[6]N[6]2B)	C[6](N[6]C[6a]C[6])2(BHHN)(H){1|C<4>,2|O<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O){4|C<3>,4|C<4>}	H(C[6]N[6]2B)	106.0255	0.008	2	106.0255	0.000	2	106.4642	0.752	6	107.5225	0.892	29	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:3:	4:	N[6]-3:N[6]-3:B-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])2(BHHS)(H)	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O)	H(C[6]N[6]2B)	C[6](N[6]C[6a]C[6])2(BHHS)(H){1|C<4>,2|O<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O){4|C<3>,4|C<4>}	H(C[6]N[6]2B)	105.7915	0.036	2	105.7915	0.001	2	106.4642	0.752	6	107.5225	0.892	29	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:3:	4:	N[6]-3:N[6]-3:B-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])2(BN[6]HH)(H)	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O)	H(C[6]N[6]2B)	C[6](N[6]C[6a]C[6])2(BN[6]HH)(H){1|C<4>,2|O<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]BH)(C[6]C[6]O){4|C<3>,4|C<4>}	H(C[6]N[6]2B)	107.5755	0.015	2	107.5755	0.000	2	106.4642	0.752	6	107.5225	0.892	29	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:4:	4:	C[6,6]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]S)(CCHH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(SCOO)	H(C[6]C[6,6]N[6]C)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]S)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(SCOO){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6]N[6]C)	108.0710	0.000	1	108.0710	0.000	1	108.0710	0.000	1	107.3405	0.525	59	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(CC[6a]CH)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]CH)(CH3)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(CC[6a]CH)(H){1|O<2>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]CH)(CH3){5|C<3>}	H(C[6]C[6,6a]N[6]C)	108.9160	0.000	1	108.9160	0.000	1	108.4705	0.397	2	107.3405	0.525	59	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CC[6]HH)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]CH)(CH3)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CC[6]HH)(H){1|O<2>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]CH)(CH3){5|C<3>}	H(C[6]C[6,6a]N[6]C)	108.0250	0.000	1	108.0250	0.000	1	108.4705	0.397	2	107.3405	0.525	59	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CCHH)(H)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]C)	106.4850	0.000	1	106.4850	0.000	1	107.1025	0.332	33	107.3405	0.525	59	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[4]HH)(H)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[4]HH)(H){1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]C)	106.8710	0.000	1	106.8710	0.000	1	107.1025	0.332	33	107.3405	0.525	59	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[5a]HH)(H)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[5a]HH)(H){1|O<1>,2|C<4>}	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3){1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[6]N[6]C)	108.4230	0.000	1	108.4230	0.000	1	107.1025	0.332	33	107.3405	0.525	59	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[6a]HH)(H)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<4>}	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]C)	106.7944	0.401	8	106.7962	0.130	10	107.1025	0.332	33	107.3405	0.525	59	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[6a]HH)(H)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<4>}	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3){1|H<1>,1|N<3>,1|O<1>,1|S<2>}	H(C[6]C[6]N[6]C)	106.8035	0.217	2	106.7962	0.130	10	107.1025	0.332	33	107.3405	0.525	59	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CCCH)	H(C[6]C[6]N[6]C)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CH3)(H){1|O<1>,2|C<4>}	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CCCH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]C)	107.8645	0.084	2	107.8645	0.007	2	107.1025	0.332	33	107.3405	0.525	59	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CHHO)(H)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(CHHO)(H){1|O<1>,2|C<4>}	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]C)	107.4720	0.000	1	107.4720	0.000	1	107.1025	0.332	33	107.3405	0.525	59	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CC[6a]HH)(H)	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<4>}	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]C)	106.9443	0.432	10	106.9459	0.210	13	107.1025	0.332	33	107.3405	0.525	59	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CC[6a]HH)(H)	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<4>}	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3){1|H<1>,1|N<3>,1|O<1>,1|S<2>}	H(C[6]C[6]N[6]C)	106.9513	0.650	3	106.9459	0.210	13	107.1025	0.332	33	107.3405	0.525	59	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CC[6a]HS)(H)	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CC[6a]HS)(H){1|C<4>,1|O<1>,1|O<2>}	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CH3){1|C<4>,1|N<3>,1|O<1>,1|S<2>}	H(C[6]C[6]N[6]C)	107.6670	0.000	1	107.6670	0.000	1	107.1025	0.332	33	107.3405	0.525	59	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CH3)(H)	N[6](C[6]N[6,6]O)(C[6]C[6]CH)(CC[6a]HH)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CH3)(H){1|C<3>,1|N<3>,1|O<1>}	N[6](C[6]N[6,6]O)(C[6]C[6]CH)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]C)	107.4350	0.000	1	107.6295	0.076	2	107.1025	0.332	33	107.3405	0.525	59	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CH3)(H)	N[6](C[6]N[6,6]O)(C[6]C[6]CH)(CC[6a]HH)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CH3)(H){1|C<4>,1|N<3>,1|O<1>}	N[6](C[6]N[6,6]O)(C[6]C[6]CH)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]C)	107.8240	0.000	1	107.6295	0.076	2	107.1025	0.332	33	107.3405	0.525	59	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H)	N[6](C[6]C[3,6]O)(C[6]C[6]CH)(CC[6a]HH)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H){1|O<1>,2|C<4>}	N[6](C[6]C[3,6]O)(C[6]C[6]CH)(CC[6a]HH){1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[6]N[6]C)	108.2180	0.000	1	108.2180	0.000	1	107.1025	0.332	33	107.3405	0.525	59	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:4:	4:	C[6a]-3:N[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]C)(C[6]C[6]CC)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CH3)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]C)(C[6]C[6]CC)(H){3|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CH3){1|C<4>,1|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	106.7030	0.000	1	106.7030	0.000	1	106.7030	0.000	1	107.3405	0.525	59	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:4:	4:	C[6a]-3:N[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]S)(C[6]C[6]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]S)(C[6]C[6]HH)(H){3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.8950	0.000	1	107.8950	0.000	1	107.8950	0.000	1	107.3405	0.525	59	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:4:	4:	N[6]-3:B[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(B[6]N[6]O)(CC[6a]HH)(H)	N[6](C[6a]C[6a]2)(C[6]B[6]CH)(C[6]C[6]HH)	H(C[6]B[6]N[6]C)	C[6](N[6]C[6a]C[6])(B[6]N[6]O)(CC[6a]HH)(H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]B[6]CH)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]B[6]N[6]C)	108.4320	0.000	1	108.4320	0.000	1	108.4320	0.000	1	107.3405	0.525	59	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:4:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]H)(CSiCH)(H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CC[6a]HH)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6]C)(C[6]C[6]H)(CSiCH)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CC[6a]HH){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	107.6690	0.031	2	107.6690	0.001	2	107.6690	0.001	2	107.3405	0.525	59	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:4:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(CCHS)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(CCHS)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]N[6]C)	108.2640	0.000	1	108.2640	0.000	1	108.2640	0.000	1	107.3405	0.525	59	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:4:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(CH3)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(CH3)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|H<1>,4|C<3>}	H(C[6]C[6]N[6]C)	108.7390	0.000	1	108.7390	0.000	1	108.7915	0.006	2	107.3405	0.525	59	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:4:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(CHHI)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(CHHI)(H){3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]C)	108.8440	0.000	1	108.8440	0.000	1	108.7915	0.006	2	107.3405	0.525	59	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:4:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CC)(H){4|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,1|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	107.3210	0.221	3	107.3210	0.049	3	107.1248	0.252	10	107.3405	0.525	59	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:4:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	106.8900	0.000	1	106.8900	0.000	1	107.1248	0.252	10	107.3405	0.525	59	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:4:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CN)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CH3)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CN)(H){4|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.4700	0.000	1	107.4700	0.000	1	107.1248	0.252	10	107.3405	0.525	59	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:4:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	106.8170	1.105	2	106.8170	1.220	2	107.1248	0.252	10	107.3405	0.525	59	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:4:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	106.5500	0.000	1	106.5500	0.000	1	107.1248	0.252	10	107.3405	0.525	59	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:4:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]O[6]HO)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]O[6]HO)(H){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){2|H<1>,2|O<2>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.3705	0.124	2	107.3705	0.015	2	107.1248	0.252	10	107.3405	0.525	59	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:4:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]CF)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]CF)(H){1|O<1>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO){1|F<1>,1|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	106.3350	0.000	1	106.3350	0.000	1	106.8080	0.447	2	107.3405	0.525	59	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:4:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H)(SC[6a]OO)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H)(SC[6a]OO){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.2810	0.000	1	107.2810	0.000	1	106.8080	0.447	2	107.3405	0.525	59	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:4:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|N<2>,3|C<3>,3|C<4>,4|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,1|N<4>,4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	108.7320	0.000	1	108.7320	0.000	1	108.7320	0.000	1	107.3405	0.525	59	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:4:	4:	N[6]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(CCCF)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CH3)	H(C[6]N[6]2C)	C[6](N[6]C[6,6a]C)(N[6]C[6]H)(CCCF)(H){1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CH3){2|H<1>,3|C<3>}	H(C[6]N[6]2C)	107.2730	0.000	1	107.2730	0.000	1	107.2730	0.000	1	107.3405	0.525	59	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	3:4:4:	4:	N[6]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]H)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6,6a]C)(C[6]C[6]2H)(C[6]N[6]CH)	H(C[6]N[6]2C)	C[6](N[6]C[6,6a]H)(N[6]C[6]2)(CH3)(H){1|H<1>,2|C<3>,3|C<4>}	N[6](C[6]C[6,6a]C)(C[6]C[6]2H)(C[6]N[6]CH){2|C<3>,2|C<4>,5|H<1>}	H(C[6]N[6]2C)	108.6080	0.000	1	108.6080	0.000	1	108.6080	0.000	1	107.3405	0.525	59	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:2:3:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:O[6]-2:C-3:	C[6]-4:	C[6](C[6]C[6]H)(N[6]O[6]C)(CH3)(H)	N[6](C[6]C[6]CH)(O[6]C[6])(COO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]O[6]C)(CH3)(H){1|C<4>,1|H<1>}	N[6](C[6]C[6]CH)(O[6]C[6])(COO){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	108.3820	0.000	1	108.3820	0.000	1	108.3820	0.000	1	108.3820	0.000	1	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:1:	4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]H)(CC[6]HH)(H)	N[6](C[6]C[5a,6]CH)(C[6]C[6]O)(H)	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]H)(CC[6]HH)(H){1|C<4>,1|O<1>,2|C<3>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]O)(H){1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[5a,6]N[6]C)	108.2180	0.451	2	108.2180	0.204	2	108.2180	0.204	2	107.7049	1.429	46	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]H)(CC[5]HH)(H)	N[6](C[6]C[6]CH)(C[6]N[6]O)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]C)(N[6]C[6]H)(CC[5]HH)(H){1|C<4>,1|N<3>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]N[6]O)(H){1|H<1>,2|C<3>}	H(C[6]C[6]N[6]C)	105.0320	0.000	1	105.0320	0.000	1	107.6368	1.599	40	107.7049	1.429	46	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]N[6]C)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)(H){1|C<4>,1|N<2>,1|N<3>}	N[6](C[6]C[6]CH)(C[6]N[6]C)(H){1|C<2>,1|C<3>}	H(C[6]C[6]N[6]C)	109.0870	0.000	1	109.0870	0.000	1	107.6368	1.599	40	107.7049	1.429	46	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]N[6]O)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)(H){1|C<4>,1|N<3>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]N[6]O)(H){1|H<1>,2|C<3>}	H(C[6]C[6]N[6]C)	106.8510	0.000	1	106.8510	0.000	1	107.6368	1.599	40	107.7049	1.429	46	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]N[6]S)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)(H){1|C<4>,1|N<3>,1|S<1>}	N[6](C[6]C[6]CH)(C[6]N[6]S)(H){1|H<1>,2|C<3>}	H(C[6]C[6]N[6]C)	107.0645	0.551	2	107.5640	0.900	3	107.6368	1.599	40	107.7049	1.429	46	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]N[6]S)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)(H){1|C<4>,1|N<3>,1|S<1>}	N[6](C[6]C[6]CH)(C[6]N[6]S)(H){3|C<3>}	H(C[6]C[6]N[6]C)	108.5630	0.000	1	107.5640	0.900	3	107.6368	1.599	40	107.7049	1.429	46	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CCCH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCCH)(H){1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]C)	107.2430	0.010	2	107.2430	0.000	2	107.6368	1.599	40	107.7049	1.429	46	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]C)	107.6495	0.293	2	108.4146	3.601	9	107.6368	1.599	40	107.7049	1.429	46	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]C)	108.9247	2.175	6	108.4146	3.601	9	107.6368	1.599	40	107.7049	1.429	46	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H){1|O<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]C)	106.8840	0.000	1	108.4146	3.601	9	107.6368	1.599	40	107.7049	1.429	46	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5]HH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5]HH)(H){1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]C)	107.3785	0.043	2	107.3785	0.002	2	107.6368	1.599	40	107.7049	1.429	46	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]C)	107.5320	0.000	1	107.2656	0.442	5	107.6368	1.599	40	107.7049	1.429	46	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HH)(H){1|O<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]C)	107.0300	0.818	3	107.2656	0.442	5	107.6368	1.599	40	107.7049	1.429	46	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[5a]HH)(H){1|O<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]C)	107.7060	0.000	1	107.2656	0.442	5	107.6368	1.599	40	107.7049	1.429	46	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]2H)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]2H)(H){1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]C)	107.3600	0.537	2	107.3600	0.289	2	107.6368	1.599	40	107.7049	1.429	46	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]HH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]C)	108.2260	1.462	2	108.2260	2.138	2	107.6368	1.599	40	107.7049	1.429	46	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]C)	108.4230	0.000	1	107.5475	0.530	6	107.6368	1.599	40	107.7049	1.429	46	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]C)	107.8193	0.318	3	107.5475	0.530	6	107.6368	1.599	40	107.7049	1.429	46	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H){1|C<4>,1|N<3>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]C)	106.8220	0.000	1	107.5475	0.530	6	107.6368	1.599	40	107.7049	1.429	46	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CH3)(H){1|O<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]C)	106.5820	0.000	1	107.5475	0.530	6	107.6368	1.599	40	107.7049	1.429	46	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CHHO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CHHO)(H){1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]C)	107.9010	0.000	1	106.6755	3.004	2	107.6368	1.599	40	107.7049	1.429	46	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CHHO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CHHO)(H){1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]C)	105.4500	0.000	1	106.6755	3.004	2	107.6368	1.599	40	107.7049	1.429	46	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]O[6]O)(N[6]C[6]H)(CCCH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]O)(N[6]C[6]H)(CCCH)(H){1|C<4>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]N[6]C)	108.1370	0.000	1	108.1370	0.000	1	107.6368	1.599	40	107.7049	1.429	46	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]O[6]O)(N[6]C[6]H)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]O)(N[6]C[6]H)(CCHH)(H){1|C<4>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]N[6]C)	108.0900	0.000	1	108.0900	0.000	1	107.6368	1.599	40	107.7049	1.429	46	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]O[6]O)(N[6]C[6]H)(CC[6a]HH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]O)(N[6]C[6]H)(CC[6a]HH)(H){1|C<4>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]N[6]C)	106.1680	0.000	1	106.1680	0.000	1	107.6368	1.599	40	107.7049	1.429	46	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]O[6]O)(N[6]C[6]H)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]O)(N[6]C[6]H)(CH3)(H){1|C<4>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]N[6]C)	108.3030	0.000	1	108.3030	0.000	1	107.6368	1.599	40	107.7049	1.429	46	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:1:	4:	N[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[6]C[6]C)(N[6]C[6]H)(CCCH)(H)	N[6](C[6]N[6]CH)(C[6]C[6]O)(H)	H(C[6]N[6]2C)	C[6](N[6]C[6]C)(N[6]C[6]H)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]N[6]CH)(C[6]C[6]O)(H){1|Br<1>,2|C<3>}	H(C[6]N[6]2C)	108.0870	0.000	1	108.1303	0.106	4	108.1303	0.106	4	107.7049	1.429	46	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:1:	4:	N[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[6]C[6]C)(N[6]C[6]H)(CCCH)(H)	N[6](C[6]N[6]CH)(C[6]C[6]O)(H)	H(C[6]N[6]2C)	C[6](N[6]C[6]C)(N[6]C[6]H)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]N[6]CH)(C[6]C[6]O)(H){1|C<2>,2|C<3>}	H(C[6]N[6]2C)	108.1447	0.397	3	108.1303	0.106	4	108.1303	0.106	4	107.7049	1.429	46	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:2:	4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]O)(CCHH)(H)	N[6](C[6]C[5a,6]CH)(C[6]C[6]O)(OC)	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]O)(CCHH)(H){1|O<1>,2|C<3>,2|C<4>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]O)(OC){1|C<3>,1|N<3>,2|C<4>}	H(C[6]C[5a,6]N[6]C)	107.9030	0.000	1	107.9030	0.000	1	107.9030	0.000	1	107.3970	0.953	9	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:2:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]O)(CCCH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]O)(CCCH)(H){1|C<4>,1|O<1>,1|O<2>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]C)	107.1660	0.000	1	107.1660	0.000	1	107.1820	0.001	2	107.3970	0.953	9	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:2:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]O[6]N)(N[6]C[6]O)(CCCH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC)	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]N)(N[6]C[6]O)(CCCH)(H){1|C<4>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(C[6]C[6]N[6]C)	107.1980	0.000	1	107.1980	0.000	1	107.1820	0.001	2	107.3970	0.953	9	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:2:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6]-4:	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6])	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,7|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,4|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	106.8425	0.258	2	107.2287	0.481	3	107.7433	1.380	4	107.3970	0.953	9	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:2:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6]-4:	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6])	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){4|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	108.0010	0.000	1	107.2287	0.481	3	107.7433	1.380	4	107.3970	0.953	9	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:2:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:N[6]-2:	C[6]-4:	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6])	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|S<4>,2|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,4|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	109.2870	0.000	1	109.2870	0.000	1	107.7433	1.380	4	107.3970	0.953	9	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:2:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:O[6]-2:	C[6]-4:	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|C<4>,4|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	105.7750	0.000	1	105.7750	0.000	1	106.6665	1.590	2	107.3970	0.953	9	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:2:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:O[6]-2:	C[6]-4:	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,4|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.5580	0.000	1	107.5580	0.000	1	106.6665	1.590	2	107.3970	0.953	9	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:3:	4:	C[5a]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(N[6]C[6a]C[6])(C[6]C[6]CH)(H)	N[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]O[5a])(N[6]C[6a]C[6])(C[6]C[6]CH)(H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	N[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|O<2>,4|H<1>,5|C<3>}	H(C[6]C[5a]C[6]N[6])	104.9830	0.000	1	104.9830	0.000	1	104.9830	0.000	1	107.6659	3.420	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]C)(COO)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H){1|H<1>,4|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]C)(COO){1|H<1>,2|C<3>}	H(C[6]C[6,6a]N[6]C)	101.7380	0.000	1	101.7380	0.000	1	106.2923	15.566	3	107.6659	3.420	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(CCO)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(CCO){3|C<3>}	H(C[6]C[6,6a]N[6]C)	108.6660	0.000	1	108.6660	0.000	1	106.2923	15.566	3	107.6659	3.420	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(CCO)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(CCO){3|C<3>}	H(C[6]C[6,6a]N[6]C)	108.4730	0.000	1	108.4730	0.000	1	106.2923	15.566	3	107.6659	3.420	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])(C[6a]C[6a]2)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,6|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])(C[6a]C[6a]2){1|Cl<1>,2|H<1>,6|C<3>}	H(C[6]C[6,6a]N[6]C)	109.0660	0.000	1	109.0660	0.000	1	108.8595	0.085	2	107.6659	3.420	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])(C[6a]C[6a]2)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,1|N<2>,5|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	H(C[6]C[6,6a]N[6]C)	108.6530	0.000	1	108.6530	0.000	1	108.8595	0.085	2	107.6659	3.420	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CCHH)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(NCC)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CCHH)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(NCC){1|H<1>,2|C<3>}	H(C[6]C[6,6a]N[6]C)	108.8360	0.000	1	108.8360	0.000	1	108.8685	0.002	2	107.6659	3.420	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CC[6a]CH)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])(NHS)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CC[6a]CH)(H){1|H<1>,4|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])(NHS){1|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]C)	108.9010	0.000	1	108.9010	0.000	1	108.8685	0.002	2	107.6659	3.420	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]O)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]O){3|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]C)	109.5170	1.899	2	109.5170	3.607	2	108.6158	2.586	6	107.6659	3.420	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]S)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,1|N<3>,1|S<1>,4|C<3>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]S){3|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]C)	108.5780	1.556	3	108.5780	2.422	3	108.6158	2.586	6	107.6659	3.420	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]O)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]O){2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]C)	106.9270	0.000	1	106.9270	0.000	1	108.6158	2.586	6	107.6659	3.420	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]C)(CCHH)(H)	N[6](C[6]C[6,6a]CH)(N[6]C[6a]C[6])(CCO)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]C)(CCHH)(H){1|H<1>,4|C<3>}	N[6](C[6]C[6,6a]CH)(N[6]C[6a]C[6])(CCO){1|O<1>,4|C<3>}	H(C[6]C[6,6a]N[6]C)	109.0090	0.000	1	109.0090	0.000	1	109.0090	0.000	1	107.6659	3.420	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:3:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[6a]2H)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCC)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[6a]2H)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCC){1|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	107.6840	0.000	1	107.6840	0.000	1	108.5704	0.562	5	107.6659	3.420	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:3:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO){1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]C)	108.5570	0.000	1	108.5570	0.000	1	108.5704	0.562	5	107.6659	3.420	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:3:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCO)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCO){1|C<4>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]C)	108.1830	0.000	1	108.1830	0.000	1	108.5704	0.562	5	107.6659	3.420	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:3:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO){1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]C)	108.7220	0.000	1	108.7220	0.000	1	108.5704	0.562	5	107.6659	3.420	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:3:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO){1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]C)	109.7060	0.000	1	109.7060	0.000	1	108.5704	0.562	5	107.6659	3.420	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:3:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]C)(N[6]N[6]C)(CH3)(H)	N[6](C[6]C[6]CH)(N[6]C[6]H)(CNO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]C)(N[6]N[6]C)(CH3)(H){1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(N[6]C[6]H)(CNO){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]C)	107.4720	0.000	1	107.4720	0.000	1	107.4720	0.000	1	107.6659	3.420	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:3:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:S[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]H)(N[6]S[6]C)(CH3)(H)	N[6](C[6]C[6]CH)(S[6]C[6]O)(COO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]S[6]C)(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CH)(S[6]C[6]O)(COO){1|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	107.1520	0.000	1	107.1520	0.000	1	107.1520	0.000	1	107.6659	3.420	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,5|C<3>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	107.8935	0.914	2	106.2200	5.469	6	106.5208	3.520	10	107.6659	3.420	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|Cl<1>,1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,5|C<3>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	107.5230	0.000	1	106.2200	5.469	6	106.5208	3.520	10	107.6659	3.420	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,5|C<3>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	107.4470	0.000	1	106.2200	5.469	6	106.5208	3.520	10	107.6659	3.420	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|H<1>,6|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O){4|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	103.2815	0.658	2	106.2200	5.469	6	106.5208	3.520	10	107.6659	3.420	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,3|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.5030	0.000	1	107.5030	0.000	1	106.5208	3.520	10	107.6659	3.420	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]S[6]N)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|S<2>,2|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]S[6]N){4|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	106.9370	0.000	1	106.9370	0.000	1	106.5208	3.520	10	107.6659	3.420	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|N<3>,5|C<3>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	105.5900	0.000	1	106.7240	2.572	2	106.5208	3.520	10	107.6659	3.420	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|N<4>,5|C<3>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	107.8580	0.000	1	106.7240	2.572	2	106.5208	3.520	10	107.6659	3.420	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](N[6]C[6]C)(N[6]C[6]H)(CCCH)(H)	N[6](C[6]N[6]CH)(C[6]C[6]H)(CC[6a]O)	H(C[6]N[6]2C)	C[6](N[6]C[6]C)(N[6]C[6]H)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]N[6]CH)(C[6]C[6]H)(CC[6a]O){1|Br<1>,1|C<3>,1|H<1>}	H(C[6]N[6]2C)	108.0870	0.000	1	108.1872	0.090	5	108.1872	0.090	5	107.6659	3.420	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](N[6]C[6]C)(N[6]C[6]H)(CCCH)(H)	N[6](C[6]N[6]CH)(C[6]C[6]H)(CC[6a]O)	H(C[6]N[6]2C)	C[6](N[6]C[6]C)(N[6]C[6]H)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]N[6]CH)(C[6]C[6]H)(CC[6a]O){1|C<2>,1|C<3>,1|H<1>}	H(C[6]N[6]2C)	108.1203	0.352	3	108.1872	0.090	5	108.1872	0.090	5	107.6659	3.420	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](N[6]C[6]C)(N[6]C[6]H)(CCCH)(H)	N[6](C[6]N[6]CH)(C[6]C[6]H)(CC[6a]O)	H(C[6]N[6]2C)	C[6](N[6]C[6]C)(N[6]C[6]H)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]N[6]CH)(C[6]C[6]H)(CC[6a]O){1|H<1>,2|C<3>}	H(C[6]N[6]2C)	108.4880	0.000	1	108.1872	0.090	5	108.1872	0.090	5	107.6659	3.420	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:4:	4:	C[5a]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6a]C[6])(C[6]C[6]HH)(H)	N[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	N[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH){1|C<4>,4|C<3>,6|H<1>}	H(C[6]C[5a]C[6]N[6])	109.0610	0.000	1	109.0610	0.000	1	109.0610	0.000	1	107.3795	0.855	62	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCCH)(H)	N[6](C[6]C[6,6a]CH)(C[6]N[6]Ir)(CC[6a]HH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCCH)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]N[6]Ir)(CC[6a]HH){1|C<4>,2|C<3>}	H(C[6]C[6,6a]N[6]C)	108.1100	0.922	2	108.1100	0.850	2	107.8572	0.369	4	107.3795	0.855	62	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]O)(CC[6a]HH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]O)(CC[6a]HH){1|H<1>,1|S<2>,2|C<3>}	H(C[6]C[6,6a]N[6]C)	107.6045	0.012	2	107.6045	0.000	2	107.8572	0.369	4	107.3795	0.855	62	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCHH)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]C)(SC[6a]OO)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCHH)(H){1|H<1>,4|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]C)(SC[6a]OO){1|O<1>,2|C<3>}	H(C[6]C[6,6a]N[6]C)	107.9640	0.000	1	107.9640	0.000	1	107.9640	0.000	1	107.3795	0.855	62	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCFF)(H)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCFF)(H){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	H(C[6]C[6,6a]N[6]C)	107.9170	0.000	1	107.9170	0.000	1	107.8335	0.046	4	107.3795	0.855	62	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[5a]HH)(H)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[5a]HH)(H){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	H(C[6]C[6,6a]N[6]C)	107.5950	0.000	1	107.5950	0.000	1	107.8335	0.046	4	107.3795	0.855	62	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[6a]CH)(H)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[6a]CH)(H){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	H(C[6]C[6,6a]N[6]C)	107.9110	0.247	2	107.9110	0.061	2	107.8335	0.046	4	107.3795	0.855	62	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CB[5]CH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]HH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(CB[5]CH)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]HH){1|H<1>,2|C<3>}	H(C[6]C[6]N[6]C)	107.6140	0.051	2	107.6140	0.003	2	107.2055	0.868	47	107.3795	0.855	62	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CC3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(CC3)(H){3|C<3>}	N[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH){1|H<1>,2|C<3>}	H(C[6]C[6]N[6]C)	107.2960	0.136	2	107.2960	0.018	2	107.2055	0.868	47	107.3795	0.855	62	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CC3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(CC3)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	H(C[6]C[6]N[6]C)	107.4385	0.030	2	107.4385	0.001	2	107.2055	0.868	47	107.3795	0.855	62	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[6a]HH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.3585	0.181	4	107.3585	0.033	4	107.2055	0.868	47	107.3795	0.855	62	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]C)	107.1390	0.000	1	108.8325	3.792	4	107.2055	0.868	47	107.3795	0.855	62	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H){1|C<4>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(C[6]C[6]N[6]C)	110.7480	0.000	1	108.8325	3.792	4	107.2055	0.868	47	107.3795	0.855	62	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H){1|C<4>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|N<2>,1|O<2>,2|C<4>}	H(C[6]C[6]N[6]C)	110.2730	0.000	1	108.8325	3.792	4	107.2055	0.868	47	107.3795	0.855	62	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCCH)(H){1|O<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,1|O<2>}	H(C[6]C[6]N[6]C)	107.1700	0.000	1	108.8325	3.792	4	107.2055	0.868	47	107.3795	0.855	62	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|N<3>,2|O<1>}	H(C[6]C[6]N[6]C)	108.2000	0.365	2	107.6873	0.855	3	107.2055	0.868	47	107.3795	0.855	62	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCHH)(H){1|O<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]C)	106.6620	0.000	1	107.6873	0.855	3	107.2055	0.868	47	107.3795	0.855	62	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCOO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCOO)(H){1|O<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]C)	105.9530	0.000	1	105.9530	0.000	1	107.2055	0.868	47	107.3795	0.855	62	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5]HH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5]HH)(H){1|O<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	H(C[6]C[6]N[6]C)	107.3000	0.000	1	107.3000	0.000	1	107.2055	0.868	47	107.3795	0.855	62	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5a]HH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]C)	106.4900	0.197	2	106.4900	0.039	2	107.2055	0.868	47	107.3795	0.855	62	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5a]HH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HH)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]C)	105.8320	0.000	1	105.8320	0.000	1	107.2055	0.868	47	107.3795	0.855	62	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5a]HH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[5a]HH)(H){1|O<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	H(C[6]C[6]N[6]C)	107.4080	0.000	1	107.4080	0.000	1	107.2055	0.868	47	107.3795	0.855	62	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]CH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]CH)(H){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|N<3>,2|O<1>}	H(C[6]C[6]N[6]C)	107.0427	0.574	3	107.0427	0.329	3	107.2055	0.868	47	107.3795	0.855	62	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]C)	106.5090	0.000	1	106.5090	0.000	1	107.2055	0.868	47	107.3795	0.855	62	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]C)	106.7190	0.000	1	106.7551	0.394	13	107.2055	0.868	47	107.3795	0.855	62	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]C)	107.0730	0.321	2	106.7551	0.394	13	107.2055	0.868	47	107.3795	0.855	62	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]C)	106.5890	0.649	9	106.7551	0.394	13	107.2055	0.868	47	107.3795	0.855	62	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	H(C[6]C[6]N[6]C)	107.6500	0.000	1	106.7551	0.394	13	107.2055	0.868	47	107.3795	0.855	62	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	N[6](C[6]C[6]CH)(C[6]N[6]O)(CCHH)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|H<1>,1|N<3>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]N[6]O)(CCHH){1|C<4>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]C)	106.8090	0.000	1	106.8090	0.000	1	107.2055	0.868	47	107.3795	0.855	62	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CClHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CClHH)(H){1|O<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]C)	107.2000	0.157	3	107.2000	0.024	3	107.2055	0.868	47	107.3795	0.855	62	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]N[6]O)(CC[6a]HH)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CH3)(H){1|C<3>,1|N<3>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]N[6]O)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]C)	107.5980	0.000	1	107.9640	0.268	2	107.2055	0.868	47	107.3795	0.855	62	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]N[6]O)(CC[6a]HH)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CH3)(H){1|C<4>,1|N<3>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]N[6]O)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]C)	108.3300	0.000	1	107.9640	0.268	2	107.2055	0.868	47	107.3795	0.855	62	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CHHO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CHHO)(H){1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]C)	106.8720	0.000	1	106.8720	0.000	1	107.2055	0.868	47	107.3795	0.855	62	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]C)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]C)(N[6]C[6]S)(CCHH)(H){1|C<4>,2|C<3>}	N[6](C[6]C[6]CH)(C[6]C[6]C)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]C)	108.8310	0.000	1	108.8310	0.000	1	108.8310	0.000	1	107.3795	0.855	62	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:4:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[3,6]O)(CC[6a]HH)(H)	N[6](C[6]C[3,6]CH)(C[6a]C[6a]2)(C[6]C[6]CH)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]C[6])(C[6]N[3,6]O)(CC[6a]HH)(H){1|H<1>,2|C<4>,3|C<3>}	N[6](C[6]C[3,6]CH)(C[6a]C[6a]2)(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	107.3650	0.000	1	107.3650	0.000	1	107.3650	0.000	1	107.3795	0.855	62	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:4:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){3|C<4>,4|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<4>,4|C<3>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	108.8110	0.000	1	108.8110	0.000	1	107.7390	2.298	2	107.3795	0.855	62	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:4:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]CH)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|C<4>,4|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	106.6670	0.000	1	106.6670	0.000	1	107.7390	2.298	2	107.3795	0.855	62	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:3:4:	4:	N[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]CH)	H(C[6]N[6]2C)	C[6](N[6]C[6,6]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]CH){2|H<1>,5|C<3>}	H(C[6]N[6]2C)	107.4070	0.000	1	107.4070	0.000	1	107.4070	0.000	1	107.3795	0.855	62	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:4:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CCHO)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(O)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CCHO)(H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]C)	90.5980	0.000	1	90.5980	0.000	1	90.5980	0.000	1	101.7850	93.863	3	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:4:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:S[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CCHH)(H)	N[6](C[6]C[6,6a]CH)(S[6]O[6]OO)(H)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CCHH)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	N[6](C[6]C[6,6a]CH)(S[6]O[6]OO)(H){2|C<3>}	H(C[6]C[6,6a]N[6]C)	107.3785	0.050	2	107.3785	0.003	2	107.3785	0.003	2	101.7850	93.863	3	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:4:3:	4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(N[6]C[6]C)(CC3)(H)	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CC[6a]O)	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]C[5a,6]O[5a])(N[6]C[6]C)(CC3)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CC[6a]O){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[5a,6]N[6]C)	106.6980	0.000	1	106.6980	0.000	1	107.4253	0.397	3	107.1543	0.761	43	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:4:3:	4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(CCHH)(H)	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CCO)	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CCO){1|C<3>,1|S<2>,2|H<1>}	H(C[6]C[5a,6]N[6]C)	107.7740	0.000	1	107.7740	0.000	1	107.4253	0.397	3	107.1543	0.761	43	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:4:3:	4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(CCHH)(H)	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CNO)	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CNO){1|C<3>,1|S<2>,2|H<1>}	H(C[6]C[5a,6]N[6]C)	107.8040	0.000	1	107.8040	0.000	1	107.4253	0.397	3	107.1543	0.761	43	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:4:3:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(CCHH)(H)	N[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6a]CH)(COO)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	N[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6a]CH)(COO){1|Br<1>,1|C<4>,4|C<3>}	H(C[6]C[6,6a]N[6]C)	106.3760	0.000	1	106.3760	0.000	1	106.3760	0.000	1	107.1543	0.761	43	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:4:3:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO){2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]C)	107.8115	0.077	2	107.8115	0.006	2	107.8868	0.329	8	107.1543	0.761	43	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:4:3:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CNO)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CNO){2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]C)	107.0450	0.000	1	107.0450	0.000	1	107.8868	0.329	8	107.1543	0.761	43	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:4:3:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(COO)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(COO){2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]C)	108.6440	0.000	1	108.6440	0.000	1	107.8868	0.329	8	107.1543	0.761	43	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:4:3:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]CH)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]O)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]CH)(H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]O){2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]C)	107.3270	0.000	1	107.3270	0.000	1	107.8868	0.329	8	107.1543	0.761	43	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:4:3:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO){2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]C)	107.8735	0.134	2	107.8735	0.018	2	107.8868	0.329	8	107.1543	0.761	43	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:4:3:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO){2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]C)	108.7080	0.000	1	108.7080	0.000	1	107.8868	0.329	8	107.1543	0.761	43	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:4:3:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	Si[6]-4:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Si[6])(CCHH)(H)	N[6](Si[6]C[6a]O[6]O)(C[6]C[6,6a]CH)(C[6a]C[6a]2)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Si[6])(CCHH)(H){1|H<1>,2|O<2>,5|C<3>}	N[6](Si[6]C[6a]O[6]O)(C[6]C[6,6a]CH)(C[6a]C[6a]2){1|H<1>,1|N<2>,6|C<3>}	H(C[6]C[6,6a]N[6]C)	107.8860	0.000	1	107.8860	0.000	1	107.8860	0.000	1	107.1543	0.761	43	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:4:3:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CCHH)(H)	N[6](C[6]C[6]CH)2(COO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCHH)(H){2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)2(COO){1|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	107.6550	0.000	1	107.6550	0.000	1	107.0135	1.135	8	107.1543	0.761	43	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:4:3:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]O)(N[6]C[6]C)(CCHO)(H)	N[6](C[6]C[6]MoH)(C[6]C[6]CH)(COO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]O)(N[6]C[6]C)(CCHO)(H){1|Mo<8>,1|C<4>,2|H<1>}	N[6](C[6]C[6]MoH)(C[6]C[6]CH)(COO){1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]N[6]C)	104.5870	0.000	1	104.5870	0.000	1	107.0135	1.135	8	107.1543	0.761	43	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:4:3:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]N[6]C)	107.8800	0.000	1	107.8800	0.000	1	107.0135	1.135	8	107.1543	0.761	43	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:4:3:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]C)	107.0730	0.550	2	107.0730	0.303	2	107.0135	1.135	8	107.1543	0.761	43	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:4:3:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]HH)(H){2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]C)	107.4910	0.000	1	107.4910	0.000	1	107.0135	1.135	8	107.1543	0.761	43	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:4:3:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]O[6]O)(N[6]C[6]C)(CC[6a]HO)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO)	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]O)(N[6]C[6]C)(CC[6a]HO)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[6]N[6]C)	107.5640	0.000	1	107.5640	0.000	1	107.0135	1.135	8	107.1543	0.761	43	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:4:3:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]O[6]O)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CCO)	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]O)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CCO){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	106.7850	0.000	1	106.7850	0.000	1	107.0135	1.135	8	107.1543	0.761	43	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:4:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[5]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CO)(H)	N[6](C[6]C[6a]C[6]H)(C[5]C[5]O[5]H)(C[6]N[6]O)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CO)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[5]C[5]O[5]H)(C[6]N[6]O){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	H(C[6]C[6a]C[6]N[6])	107.4020	0.000	1	107.2743	0.047	3	107.2743	0.047	3	107.1543	0.761	43	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:4:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[5]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CO)(H)	N[6](C[6]C[6a]C[6]H)(C[5]C[5]O[5]H)(C[6]N[6]O)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CO)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[5]C[5]O[5]H)(C[6]N[6]O){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.2105	0.264	2	107.2743	0.047	3	107.2743	0.047	3	107.1543	0.761	43	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:4:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,9|C<3>}	H(C[6]C[6a]C[6]N[6])	106.6220	0.000	1	106.6220	0.000	1	106.8458	0.732	19	107.1543	0.761	43	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:4:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	N[6](C[6]C[6a]C[6]H)2(C[6a]C[6a]2)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6]H)2(C[6a]C[6a]2){2|C<4>,5|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	105.6180	0.363	4	105.6180	0.131	4	106.8458	0.732	19	107.1543	0.761	43	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:4:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[6](C[6]C[6a]C[6]H)2(C[6a]C[6a]2)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6]H)2(C[6a]C[6a]2){2|C<4>,5|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	106.5630	0.273	4	107.2126	0.370	14	106.8458	0.732	19	107.1543	0.761	43	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:4:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[6](C[6]C[6a]C[6]H)2(C[6a]C[6a]2)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|H<1>,6|C<3>}	N[6](C[6]C[6a]C[6]H)2(C[6a]C[6a]2){4|H<1>,8|C<3>}	H(C[6]C[6a]C[6]N[6])	107.4725	0.497	10	107.2126	0.370	14	106.8458	0.732	19	107.1543	0.761	43	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCHH)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(SCOO)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCHH)(H){3|C<3>,3|H<1>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(SCOO){3|C<3>}	H(C[6]C[6,6a]N[6]C)	105.0870	0.000	1	105.0870	0.000	1	105.0870	0.000	1	107.3375	2.527	4	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:P[6]-4:S-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]S)(CH3)(H)	N[6](C[6]C[6,6a]CH)(P[6]O[6]CO)(SC[6a]OO)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]S)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[6](C[6]C[6,6a]CH)(P[6]O[6]CO)(SC[6a]OO){2|C<3>}	H(C[6]C[6,6a]N[6]C)	107.9160	0.000	1	107.9160	0.000	1	107.9160	0.000	1	107.3375	2.527	4	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[4,6]C[6a])(N[6]C[6]S)(CCHH)(H)	N[6](C[6]C[4,6]HH)(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[4,6]C[6a])(N[6]C[6]S)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[4,6]HH)(C[6]C[6]CH)(SC[6a]OO){3|C<3>}	H(C[6]C[6]N[6]C)	108.8000	0.000	1	108.8000	0.000	1	108.1735	0.785	2	107.3375	2.527	4	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(CCHH)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]C)(N[6]C[6]S)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO){2|H<1>,4|C<3>}	H(C[6]C[6]N[6]C)	107.5470	0.000	1	107.5470	0.000	1	108.1735	0.785	2	107.3375	2.527	4	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:B[6,6]-3:C[6]-4:	C[6]-4:	C[6](N[6]B[6,6]C[6,6])(C[6]C[6]HH)(H)2	N[6](C[6,6]N[6,6]N[6])(B[6,6]C[6,6]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]B[6,6]C[6,6])(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,2|N<3>}	N[6](C[6,6]N[6,6]N[6])(B[6,6]C[6,6]2)(C[6]C[6]HH){4|H<1>,8|C<4>}	H(C[6]C[6]N[6]H)	109.3275	0.053	2	109.3275	0.003	2	109.3275	0.003	2	109.2022	0.717	47	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|N<3>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH){1|Ir<6>,1|C<3>,1|N<2>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6590	0.083	2	109.7981	0.014	8	109.7981	0.014	8	109.2022	0.717	47	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|N<3>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH){1|Re<6>,1|C<3>,1|N<2>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.8110	0.017	2	109.7981	0.014	8	109.7981	0.014	8	109.2022	0.717	47	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|N<3>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH){1|Re<6>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.8405	0.013	2	109.7981	0.014	8	109.7981	0.014	8	109.2022	0.717	47	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|N<3>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH){1|Ru<6>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.8820	0.181	2	109.7981	0.014	8	109.7981	0.014	8	109.2022	0.717	47	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]C[6a])(C[6]C[6]HH)(H)2	N[6](C[6,6]N[6,6]N[6])(C[6a]C[6a]N[6a])(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>,2|N<3>}	N[6](C[6,6]N[6,6]N[6])(C[6a]C[6a]N[6a])(C[6]C[6]HH){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.1543	1.125	6	109.5595	0.695	13	109.5595	0.695	13	109.2022	0.717	47	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]C[6a])(C[6]C[6]HH)(H)2	N[6](C[6,6]N[6,6]N[6])(C[6a]C[6a]N[6a])(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,2|N<2>}	N[6](C[6,6]N[6,6]N[6])(C[6a]C[6a]N[6a])(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.9069	0.176	7	109.5595	0.695	13	109.5595	0.695	13	109.2022	0.717	47	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]C[6a])(C[6]O[6]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C[6a])(C[6]O[6]HH)(H)2{4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH){1|O<2>,4|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	107.7680	1.021	2	107.7680	1.043	2	108.8147	0.873	6	109.2022	0.717	47	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]C[6a])(C[6]P[6]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C[6a])(C[6]P[6]HH)(H)2{6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH){1|P<4>,4|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.3380	0.111	4	109.3380	0.012	4	108.8147	0.873	6	109.2022	0.717	47	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[4,6]HH)(H)2	N[6](C[6]C[4,6,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[4,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[6](C[6]C[4,6,6]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.5357	0.948	6	108.5357	0.898	6	108.5896	0.926	12	109.2022	0.717	47	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(H)2	N[6](C[6]N[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>}	N[6](C[6]N[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	108.8435	1.143	2	108.8435	1.307	2	108.5896	0.926	12	109.2022	0.717	47	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(H)2	N[6](C[6]N[6,6]Pd)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(H)2{1|Pd<4>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]N[6,6]Pd)(C[6a]C[6a]2)(C[6]C[6]HH){2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]N[6]H)	107.5155	0.013	2	107.5155	0.000	2	108.5896	0.926	12	109.2022	0.717	47	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6]B[5a]B[6])(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|B<3>,1|B<4>,3|C<3>}	N[6](C[6]B[5a]B[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>,4|O<2>}	H(C[6]C[6]N[6]H)	109.5715	0.006	2	109.5715	0.000	2	108.5896	0.926	12	109.2022	0.717	47	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	Ge[6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]Ge[6])(C[6]N[5,6]HH)(H)2	N[6](Ge[6]C[5,6]Cl)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]Ge[6])(C[6]N[5,6]HH)(H)2{1|Cl<1>,4|C<3>}	N[6](Ge[6]C[5,6]Cl)(C[6a]C[6a]2)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]N[6]H)	109.2837	0.024	4	109.2837	0.001	4	109.2042	0.016	6	109.2022	0.717	47	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	Ge[6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]Ge[6])(C[6]N[5,6]HH)(H)2	N[6](Ge[6]C[5,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]Ge[6])(C[6]N[5,6]HH)(H)2{1|O<2>,4|C<3>}	N[6](Ge[6]C[5,6]O)(C[6a]C[6a]2)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]N[6]H)	109.0450	0.049	2	109.0450	0.002	2	109.2042	0.016	6	109.2022	0.717	47	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:1:	4:	N[6]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6,6]C[6]3)(H)2	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](N[6]C[6,6a]H)(C[6,6]C[6]3)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>,2|O<1>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]HH)(H){1|C<4>,4|C<3>}	H(C[6]C[6,6]N[6]H)	109.0965	0.011	2	109.0965	0.000	2	109.0965	0.000	2	109.6378	1.231	146	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(H)2	N[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	N[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H){1|C<2>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.2225	0.006	2	109.2225	0.000	2	107.8840	9.086	9	109.6378	1.231	146	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(H)2	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>}	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	102.6130	0.820	2	102.6130	0.673	2	107.8840	9.086	9	109.6378	1.231	146	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(H)2	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7895	0.021	2	109.4570	0.123	5	107.8840	9.086	9	109.6378	1.231	146	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(H)2	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(H){1|P<3>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.9490	0.000	1	109.4570	0.123	5	107.8840	9.086	9	109.6378	1.231	146	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(H)2	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(H){3|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3785	0.028	2	109.4570	0.123	5	107.8840	9.086	9	109.6378	1.231	146	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[5a,6]H)(C[6]C[6]HH)(H)2	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	H(C[6]C[6]N[6]H)	109.7640	0.092	2	109.7640	0.008	2	109.7820	0.004	4	109.6378	1.231	146	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[5a,6]H)(C[6]N[6]HH)(H)2	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a,6]H)(C[6]N[6]HH)(H)2{1|H<1>,1|N<2>,1|N<3>}	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(H){1|N<3>,2|H<1>,2|N<2>}	H(C[6]C[6]N[6]H)	109.8000	0.055	2	109.8000	0.003	2	109.7820	0.004	4	109.6378	1.231	146	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6]H)(C[6]C[6]CC)(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]H)(C[6]C[6]CC)(H)2{1|N<2>,1|N<3>,2|H<1>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H){5|C<4>}	H(C[6]C[6]N[6]H)	109.2480	0.014	2	109.2480	0.000	2	109.8363	0.159	84	109.6378	1.231	146	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	110.4020	0.016	2	109.9340	0.070	22	109.8363	0.159	84	109.6378	1.231	146	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.8229	0.143	12	109.9340	0.070	22	109.8363	0.159	84	109.6378	1.231	146	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5435	0.005	2	109.9340	0.070	22	109.8363	0.159	84	109.6378	1.231	146	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.9245	0.053	2	109.9340	0.070	22	109.8363	0.159	84	109.6378	1.231	146	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H){3|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	110.2330	0.031	4	109.9340	0.070	22	109.8363	0.159	84	109.6378	1.231	146	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.6499	0.515	9	109.8201	0.184	60	109.8363	0.159	84	109.6378	1.231	146	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H){1|Cu<3>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	110.1585	0.005	2	109.8201	0.184	60	109.8363	0.159	84	109.6378	1.231	146	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H){1|Li<4>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.9455	0.040	2	109.8201	0.184	60	109.8363	0.159	84	109.6378	1.231	146	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H){1|Mo<6>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	110.1765	0.030	2	109.8201	0.184	60	109.8363	0.159	84	109.6378	1.231	146	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H){1|Zn<4>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.8080	0.040	2	109.8201	0.184	60	109.8363	0.159	84	109.6378	1.231	146	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H){2|H<1>,4|C<4>}	H(C[6]C[6]N[6]H)	109.7786	0.160	7	109.8201	0.184	60	109.8363	0.159	84	109.6378	1.231	146	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H){3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.8259	0.471	36	109.8201	0.184	60	109.8363	0.159	84	109.6378	1.231	146	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]C[6]CC)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]H)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]N[6]H)	109.8670	0.004	2	109.8670	0.000	2	109.6110	1.375	45	109.6378	1.231	146	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.7900	0.000	1	109.7900	0.000	1	109.6110	1.375	45	109.6378	1.231	146	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2{1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4585	0.029	2	109.2877	1.821	25	109.6110	1.375	45	109.6378	1.231	146	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.0558	0.446	4	109.2877	1.821	25	109.6110	1.375	45	109.6378	1.231	146	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6917	0.419	3	109.2877	1.821	25	109.6110	1.375	45	109.6378	1.231	146	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.2429	1.797	14	109.2877	1.821	25	109.6110	1.375	45	109.6378	1.231	146	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.2885	0.012	2	109.2877	1.821	25	109.6110	1.375	45	109.6378	1.231	146	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.8975	0.005	2	109.8975	0.000	2	109.6110	1.375	45	109.6378	1.231	146	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]C[6]HN)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HN)(H)2{2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	110.0085	0.036	2	110.0085	0.001	2	109.6110	1.375	45	109.6378	1.231	146	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]N[6]CH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]H)(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6090	0.030	2	109.6090	0.001	2	109.6110	1.375	45	109.6378	1.231	146	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6493	0.063	3	109.8341	0.034	7	109.6110	1.375	45	109.6378	1.231	146	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.9727	0.068	4	109.8341	0.034	7	109.6110	1.375	45	109.6378	1.231	146	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(H)2	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.8975	0.013	2	109.8975	0.000	2	109.6110	1.375	45	109.6378	1.231	146	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]O[6]HO)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]H)(C[6]O[6]HO)(H)2{2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]N[6]H)	111.5570	2.292	2	111.5570	5.255	2	109.6110	1.375	45	109.6378	1.231	146	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:1:	4:	N[6]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(N[6]C[6]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)	H(C[6]N[6]2H)	C[6](N[6]C[6,6a]H)(N[6]C[6]HH)(H)2{1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]N[6]2H)	110.0460	0.044	2	110.0460	0.002	2	110.0460	0.002	2	109.6378	1.231	146	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:2:	4:	N[6]-3:C[6]-4:H-1:H-1:	B[5a]-3:C[6]-4:Ge[6]-2:	C[6]-4:	C[6](N[6]B[5a]Ge[6])(C[6]C[6]HH)(H)2	N[6](B[5a]N[5a]2)(C[6]C[6]HH)(Ge[6]N[6])	H(C[6]C[6]N[6]H)	C[6](N[6]B[5a]Ge[6])(C[6]C[6]HH)(H)2{2|H<1>,3|N<3>}	N[6](B[5a]N[5a]2)(C[6]C[6]HH)(Ge[6]N[6]){1|B<3>,1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	109.0110	0.000	1	109.0110	0.000	1	109.0110	0.000	1	109.3043	0.357	14	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:2:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-2:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6])	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(H)2{1|N<3>,1|O<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]){4|C<3>,4|C<4>}	H(C[6]C[6]N[6]H)	109.4575	0.032	2	109.4575	0.001	2	109.2085	0.354	11	109.3043	0.357	14	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:2:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-2:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6])	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]){1|P<3>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	108.5220	0.337	4	109.1532	0.424	9	109.2085	0.354	11	109.3043	0.357	14	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:2:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-2:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6])	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	109.6582	0.214	5	109.1532	0.424	9	109.2085	0.354	11	109.3043	0.357	14	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:2:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](N[6]C[6a]O[6])(C[6]C[6]HO)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]O[6])(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6]){1|O<2>,1|P<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.9775	0.062	2	109.9775	0.004	2	109.9775	0.004	2	109.3043	0.357	14	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	B[6,6]-3:C[6]-4:P-3:	C[6]-4:	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2	N[6](B[6,6]N[6,6]N[6])(C[6]C[6]HH)(PCC)	H(C[6]C[6]N[6]H)	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	N[6](B[6,6]N[6,6]N[6])(C[6]C[6]HH)(PCC){1|P<3>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.3300	0.069	3	109.3300	0.005	3	109.4193	0.035	4	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	B[6,6]-3:C[6]-4:P-3:	C[6]-4:	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2	N[6](B[6,6]N[6,6]N[6])(C[6]C[6]HH)(PC[6a]2)	H(C[6]C[6]N[6]H)	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	N[6](B[6,6]N[6,6]N[6])(C[6]C[6]HH)(PC[6a]2){1|P<3>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.6870	0.000	1	109.6870	0.000	1	109.4193	0.035	4	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(CCO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(CCO){3|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4145	0.009	2	109.4145	0.000	2	109.3185	0.013	4	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(COO){3|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.2225	0.037	2	109.2225	0.001	2	109.3185	0.013	4	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[5,5,6,6]C[6])(C[6]C[6]HH)(CCO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6,6]C[5,5,6,6]C[6])(C[6]C[6]HH)(CCO){3|H<1>,4|C<4>}	H(C[6]C[6]N[6]H)	109.7160	0.939	4	109.7160	0.882	4	109.7218	0.373	10	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCO){3|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8620	0.055	2	109.8620	0.003	2	109.7218	0.373	10	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]O)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]O){3|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	110.0380	0.020	2	110.0380	0.000	2	109.7218	0.373	10	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]C)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]C){3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.2770	0.267	2	109.2770	0.071	2	109.7218	0.373	10	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]CH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[5,5,6]O)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[5,5,6]O){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.5935	4.451	2	108.5935	19.814	2	109.2503	1.373	40	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(CC[6a]O)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(CC[6a]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.0812	0.140	4	109.0812	0.019	4	109.2503	1.373	40	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(CC[6a]S)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(CC[6a]S){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.1083	0.366	3	109.1083	0.134	3	109.2503	1.373	40	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(CC[6a]Se)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(CC[6a]Se){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3910	0.020	2	109.3910	0.000	2	109.2503	1.373	40	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	106.2670	0.877	2	106.2670	0.769	2	109.2503	1.373	40	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCO){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	110.1975	1.104	2	109.3210	1.014	5	109.2503	1.373	40	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCO){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	108.7367	0.373	3	109.3210	1.014	5	109.2503	1.373	40	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[5a]O)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[5a]O){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.1105	0.013	2	109.1105	0.000	2	109.2503	1.373	40	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{1|C<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.8445	0.032	2	109.8445	0.001	2	109.2503	1.373	40	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CSS)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CSS){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5945	0.641	4	109.5945	0.411	4	109.2503	1.373	40	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CC[6a]O)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CC[6a]O){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.8730	0.016	2	109.8730	0.000	2	109.2503	1.373	40	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HS)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]C[6]HS)(H)2{1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8155	0.087	4	109.8155	0.008	4	109.2503	1.373	40	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]O[6]CH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]O[6]CH)(H)2{2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O){1|C<2>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	108.2140	0.485	2	108.2140	0.235	2	109.2503	1.373	40	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]O[6]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]O[6]HH)(H)2{2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCO){1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	110.0335	0.018	2	110.0335	0.000	2	109.2503	1.373	40	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]O[6]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]O[6]HH)(H)2{2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO){1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.8657	0.040	4	109.8657	0.002	4	109.2503	1.373	40	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:B[6]-3:	C[6]-4:	C[6](N[6]C[6a]B[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(B[6]C[6]N)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]B[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(B[6]C[6]N){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.0370	0.034	3	109.0370	0.001	3	109.3061	0.045	9	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:B[6]-3:	C[6]-4:	C[6](N[6]C[6a]B[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(B[6]C[6]O)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]B[6])(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(B[6]C[6]O){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.3405	0.013	2	109.4168	0.009	4	109.3061	0.045	9	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:B[6]-3:	C[6]-4:	C[6](N[6]C[6a]B[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(B[6]C[6]O)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]B[6])(C[6]N[6]HH)(H)2{1|O<2>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(B[6]C[6]O){1|B<4>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4930	0.058	2	109.4168	0.009	4	109.3061	0.045	9	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:B[6]-3:	C[6]-4:	C[6](N[6]C[6a]B[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(B[6]C[6]S)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]B[6])(C[6]N[6]HH)(H)2{1|C<4>,1|S<2>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(B[6]C[6]S){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4885	0.018	2	109.4885	0.000	2	109.3061	0.045	9	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ir)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(H)2{1|Ir<6>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ir){4|C<3>,4|C<4>}	H(C[6]C[6]N[6]H)	109.3110	0.072	2	109.3110	0.005	2	109.4319	0.374	211	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]O)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]O){3|C<3>,4|C<4>}	H(C[6]C[6]N[6]H)	109.2912	0.118	4	109.2912	0.014	4	109.4319	0.374	211	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	107.8660	0.342	2	107.8660	0.117	2	109.4319	0.374	211	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5875	0.015	2	109.6532	0.006	4	109.4319	0.374	211	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7190	0.016	2	109.6532	0.006	4	109.4319	0.374	211	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]N[6]H)	108.4630	0.173	2	108.5780	0.378	10	109.4319	0.374	211	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	109.0690	0.011	2	108.5780	0.378	10	109.4319	0.374	211	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]N[6]H)	108.7450	0.017	2	108.5780	0.378	10	109.4319	0.374	211	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	108.3065	0.916	4	108.5780	0.378	10	109.4319	0.374	211	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Al)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Al<4>,1|N<3>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Al){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	108.9170	0.625	20	108.9170	0.391	20	109.4319	0.374	211	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]B)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|B<3>,1|N<3>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]B){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	108.7392	0.827	8	108.7563	0.700	12	109.4319	0.374	211	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]B)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|B<4>,1|N<3>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]B){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	108.7905	0.984	4	108.7563	0.700	12	109.4319	0.374	211	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Br)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Br){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	109.5786	0.145	18	109.5786	0.021	18	109.4319	0.374	211	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ga)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Ga<4>,1|N<3>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ga){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	109.1194	0.605	8	109.1194	0.366	8	109.4319	0.374	211	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	109.7360	0.916	2	109.7940	0.050	24	109.4319	0.374	211	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.8760	0.084	5	109.7940	0.050	24	109.4319	0.374	211	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.7752	0.053	4	109.7940	0.050	24	109.4319	0.374	211	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H){1|Pd<4>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.7385	0.035	2	109.7940	0.050	24	109.4319	0.374	211	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H){2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]N[6]H)	109.7472	0.113	4	109.7940	0.050	24	109.4319	0.374	211	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]H){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	109.8054	0.166	7	109.7940	0.050	24	109.4319	0.374	211	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]In)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|In<4>,1|N<3>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]In){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	109.7745	0.179	4	109.7745	0.032	4	109.4319	0.374	211	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ir)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Ir<3>,1|N<3>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ir){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	108.9245	2.240	4	109.3620	2.820	7	109.4319	0.374	211	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ir)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Ir<6>,1|N<3>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ir){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	110.0575	0.021	2	109.3620	2.820	7	109.4319	0.374	211	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ir)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Ir<6>,1|N<3>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ir){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	109.7210	0.000	1	109.3620	2.820	7	109.4319	0.374	211	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ni)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Ni<2>,1|N<3>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ni){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	109.6511	0.049	7	109.7195	0.014	51	109.4319	0.374	211	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ni)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Ni<3>,1|N<3>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ni){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	109.7746	0.095	12	109.7195	0.014	51	109.4319	0.374	211	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ni)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Ni<4>,1|N<3>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ni){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	109.7293	0.165	19	109.7195	0.014	51	109.4319	0.374	211	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ni)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Ni<7>,1|N<3>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Ni){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	109.6910	0.058	13	109.7195	0.014	51	109.4319	0.374	211	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6115	0.028	2	109.7217	0.014	6	109.4319	0.374	211	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	109.7767	0.105	4	109.7217	0.014	6	109.4319	0.374	211	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]P)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|P<3>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]P){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	109.4860	0.468	3	109.4860	0.219	3	109.4319	0.374	211	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Pd)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Pd<5>,1|N<3>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Pd){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.7780	0.020	3	109.6716	0.056	7	109.4319	0.374	211	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Pd)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Pd<5>,1|N<3>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Pd){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	109.5917	0.304	4	109.6716	0.056	7	109.4319	0.374	211	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Rh)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Rh<6>,1|N<3>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Rh){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.7543	0.414	7	109.5695	0.336	11	109.4319	0.374	211	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Rh)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Rh<6>,1|N<3>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Rh){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	109.2460	0.748	4	109.5695	0.336	11	109.4319	0.374	211	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Sb)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Sb<4>,1|N<3>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Sb){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	109.5340	0.228	4	109.5340	0.052	4	109.4319	0.374	211	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(C[6]N[6]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6345	0.045	2	109.6345	0.002	2	109.4319	0.374	211	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HI)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HI)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O){1|C<4>,1|I<1>,1|S<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5165	0.042	2	109.5165	0.002	2	109.4319	0.374	211	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HO)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]O)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HO)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.3425	0.022	2	109.3425	0.000	2	109.4319	0.374	211	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.5005	0.023	2	109.5005	0.001	2	109.4319	0.374	211	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){1|O<2>,2|C<3>,6|H<1>}	H(C[6]C[6]N[6]H)	109.3630	0.168	6	109.3630	0.028	6	109.4319	0.374	211	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:	C[6]-4:	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	110.0567	0.060	4	110.0567	0.004	4	110.0302	0.006	5	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:	C[6]-4:	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(N[6]C[6]C)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(N[6]C[6]C){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.9240	0.000	1	109.9240	0.000	1	110.0302	0.006	5	109.4213	0.497	283	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[5a,6]C)(C[6,6]C[6]3)(H)2	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(CC[6a]HH)	H(C[6]C[6,6]N[6]H)	C[6](N[6]C[5a,6]C)(C[6,6]C[6]3)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(CC[6a]HH){1|C<4>,1|N<2>,4|C<3>}	H(C[6]C[6,6]N[6]H)	108.4710	0.017	2	108.4710	0.000	2	108.4710	0.000	2	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6,6]C[6]3)(H)2	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]HH)(CHHO)	H(C[6]C[6,6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6,6]C[6]3)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>,2|O<1>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]HH)(CHHO){1|C<4>,4|C<3>}	H(C[6]C[6,6]N[6]H)	109.3450	0.006	2	109.3450	0.000	2	109.3450	0.000	2	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6,6]C[6]3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO)	H(C[6]C[6,6]N[6]H)	C[6](N[6]C[6,6a]S)(C[6,6]C[6]3)(H)2{1|C<4>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6]N[6]H)	108.9442	0.498	4	108.9442	0.248	4	108.9442	0.248	4	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	B[6,6]-3:C[6]-4:P-4:	C[6]-4:	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2	N[6](B[6,6]N[6,6]N[6])(C[6]C[6]HH)(PC[6a]2Cu)	H(C[6]C[6]N[6]H)	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	N[6](B[6,6]N[6,6]N[6])(C[6]C[6]HH)(PC[6a]2Cu){1|P<4>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.2407	0.146	6	109.2407	0.021	6	109.4585	0.066	22	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	B[6,6]-3:C[6]-4:P-4:	C[6]-4:	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2	N[6](B[6,6]N[6,6]N[6])(C[6]C[6]HH)(PC[6a]2Mo)	H(C[6]C[6]N[6]H)	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	N[6](B[6,6]N[6,6]N[6])(C[6]C[6]HH)(PC[6a]2Mo){1|P<4>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.5908	0.259	6	109.5908	0.067	6	109.4585	0.066	22	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	B[6,6]-3:C[6]-4:P-4:	C[6]-4:	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2	N[6](B[6,6]N[6,6]N[6])(C[6]C[6]HH)(PC[6a]2Pd)	H(C[6]C[6]N[6]H)	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	N[6](B[6,6]N[6,6]N[6])(C[6]C[6]HH)(PC[6a]2Pd){1|P<4>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.7180	0.230	4	109.7180	0.053	4	109.4585	0.066	22	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	B[6,6]-3:C[6]-4:P-4:	C[6]-4:	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2	N[6](B[6,6]N[6,6]N[6])(C[6]C[6]HH)(PNiCC)	H(C[6]C[6]N[6]H)	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	N[6](B[6,6]N[6,6]N[6])(C[6]C[6]HH)(PNiCC){1|P<4>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.5205	0.032	2	109.5205	0.001	2	109.4585	0.066	22	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	B[6,6]-3:C[6]-4:P-4:	C[6]-4:	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2	N[6](B[6,6]N[6,6]N[6])(C[6]C[6]HH)(PPdCC)	H(C[6]C[6]N[6]H)	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	N[6](B[6,6]N[6,6]N[6])(C[6]C[6]HH)(PPdCC){1|P<4>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.2965	0.062	4	109.2965	0.004	4	109.4585	0.066	22	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[4]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(H)2	N[6](C[4]B[4]C[4])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,4|H<1>}	N[6](C[4]B[4]C[4])(C[6]C[6]HH)2{1|Cl<1>,1|B<3>,1|C<3>,1|C<4>,1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5220	0.063	8	109.5220	0.004	8	109.5220	0.004	8	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[4a,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[4a,6]C)(C[6]N[6]HH)(H)2	N[6](C[4a,6]C[4a,6]C[4a])(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](N[6]C[4a,6]C)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	N[6](C[4a,6]C[4a,6]C[4a])(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]H)	108.6910	0.112	4	108.6910	0.013	4	108.6910	0.013	4	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[4a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[4a]C[6])(C[6]C[6]HH)(H)2	N[6](C[4a]C[4a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[4a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[4a]C[4a]2)(C[6]C[6]HH)2{1|C<3>,1|C<4>,2|O<1>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6044	0.039	8	109.6044	0.002	8	109.6216	0.007	12	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[4a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[4a]C[6])(C[6]O[6]HH)(H)2	N[6](C[4a]C[4a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[4a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[4a]C[4a]2)(C[6]C[6]HH)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6560	0.135	4	109.6560	0.018	4	109.6216	0.007	12	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.3997	0.229	4	109.3997	0.053	4	109.4750	0.030	8	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(CC[6a]HH){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5985	0.025	2	109.5985	0.001	2	109.4750	0.030	8	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5020	0.016	2	109.5020	0.000	2	109.4750	0.030	8	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(H)2	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.9065	0.056	4	108.9065	0.003	4	108.9065	0.003	4	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	N[6](C[5]C[4,5]B[5])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|B<4>,2|C<4>,4|H<1>}	N[6](C[5]C[4,5]B[5])(C[6]C[6]HH)2{1|B<4>,1|C<4>,1|N<3>,4|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.1630	0.129	3	109.1630	0.017	3	109.6604	0.441	121	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	N[6](C[5]C[5,6]C[5])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	N[6](C[5]C[5,6]C[5])(C[6]C[6]HH)2{1|C<2>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7603	0.058	3	109.5161	0.061	7	109.6604	0.441	121	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	N[6](C[5]C[5,6]C[5])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[5]C[5,6]C[5])(C[6]C[6]HH)2{1|C<2>,1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3330	0.122	4	109.5161	0.061	7	109.6604	0.441	121	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	N[6](C[5]C[5]N[5])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|N<2>,2|C<4>,4|H<1>}	N[6](C[5]C[5]N[5])(C[6]C[6]HH)2{1|C<3>,1|P<4>,2|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	109.6947	0.065	3	109.6947	0.004	3	109.6604	0.441	121	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	N[6](C[5]C[5]O[5])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	N[6](C[5]C[5]O[5])(C[6]C[6]HH)2{1|B<4>,1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7452	0.136	4	109.7452	0.019	4	109.6604	0.441	121	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	N[6](C[5]N[5]O[5])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,4|H<1>}	N[6](C[5]N[5]O[5])(C[6]C[6]HH)2{1|Pt<4>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6516	0.104	20	109.6516	0.011	20	109.6604	0.441	121	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	N[6](C[5]N[5]S[5])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|S<2>,4|H<1>}	N[6](C[5]N[5]S[5])(C[6]C[6]HH)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6196	0.131	50	109.6196	0.017	50	109.6604	0.441	121	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	N[6](C[5]Se[5]N[5])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|Se<2>,1|C<4>,1|N<2>,4|H<1>}	N[6](C[5]Se[5]N[5])(C[6]C[6]HH)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	107.5330	0.357	4	107.5330	0.128	4	109.6604	0.441	121	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	N[6](C[5]C[5,6]C[5])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[5]C[5,6]C[5])(C[6]C[6]HH)2{1|C<2>,1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	111.8165	1.973	4	111.8165	3.891	4	109.6604	0.441	121	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	N[6](C[5]C[5,6a]N[5])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](C[5]C[5,6a]N[5])(C[6]C[6]HH)2{1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6363	0.135	3	109.6363	0.018	3	109.6604	0.441	121	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	N[6](C[5]C[5]O[5])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	N[6](C[5]C[5]O[5])(C[6]C[6]HH)2{1|B<4>,1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.9181	0.177	15	109.9181	0.031	15	109.6604	0.441	121	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	N[6](C[5]C[5]S[5])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	N[6](C[5]C[5]S[5])(C[6]C[6]HH)2{1|C<2>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7788	0.085	4	109.7788	0.007	4	109.6604	0.441	121	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	N[6](C[5]Se[5]N[5])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|Se<2>,1|C<4>,1|N<2>,2|H<1>}	N[6](C[5]Se[5]N[5])(C[6]C[6]HH)2{1|Se<2>,1|C<3>,1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6343	0.136	4	109.6343	0.019	4	109.6604	0.441	121	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[5a,6]C)(C[6]C[6]HH)(H)2	N[6](C[5a,6]N[5a,6a]C[5a,6])(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	N[6](C[5a,6]N[5a,6a]C[5a,6])(C[6]C[6]HH)(CC[6a]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	108.8385	0.026	2	108.8385	0.001	2	109.1865	0.162	4	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[5a,6]C)(C[6]N[6]HH)(H)2	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a,6]C)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5345	0.021	2	109.5345	0.000	2	109.1865	0.162	4	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[5a,6]S)(C[6]C[6]HH)(H)2	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a,6]S)(C[6]C[6]HH)(H)2{3|C<3>}	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(SC[6a]OO){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	108.8370	0.099	2	108.8370	0.010	2	108.8370	0.010	2	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	N[6](C[5a]C[5a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[5a]C[5a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6465	0.376	4	109.6465	0.142	4	109.3993	0.792	131	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2{1|C<2>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.6227	0.028	4	109.3708	1.247	8	109.3993	0.792	131	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.1188	1.655	4	109.3708	1.247	8	109.3993	0.792	131	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	N[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,4|H<1>}	N[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2{1|C<3>,1|C<4>,2|N<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3217	0.023	3	109.5617	0.029	14	109.3993	0.792	131	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	N[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,4|H<1>}	N[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2{1|C<4>,1|S<2>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5539	0.092	7	109.5617	0.029	14	109.3993	0.792	131	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	N[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,4|H<1>}	N[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7555	0.033	4	109.5617	0.029	14	109.3993	0.792	131	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|S<2>,4|H<1>}	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.2750	0.050	3	109.4787	0.043	17	109.3993	0.792	131	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|S<2>,4|H<1>}	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5224	0.201	14	109.4787	0.043	17	109.3993	0.792	131	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	N[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2{1|N<3>,1|N<4>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.4409	0.149	7	109.4409	0.022	7	109.3993	0.792	131	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	N[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	N[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2{2|C<3>,2|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5526	0.040	8	109.5526	0.002	8	109.3993	0.792	131	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	N[6](C[5a]N[5a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|N<2>,1|N<3>,2|C<4>,2|H<1>}	N[6](C[5a]N[5a]2)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7177	0.509	4	109.7177	0.259	4	109.3993	0.792	131	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|S<2>,2|H<1>}	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2{1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	107.4518	1.408	8	108.1612	2.362	12	109.3993	0.792	131	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|N<2>,1|S<2>,2|C<4>,2|H<1>}	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2{1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5803	0.096	4	108.1612	2.362	12	109.3993	0.792	131	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	N[6](C[5a]C[5a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[5a]C[5a]2)(C[6]C[6]HH)2{1|O<2>,1|S<2>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8360	0.278	3	109.8360	0.077	3	109.3993	0.792	131	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2{1|C<3>,1|O<2>,2|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6464	1.638	12	109.4280	1.585	28	109.3993	0.792	131	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.2641	0.905	16	109.4280	1.585	28	109.3993	0.792	131	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	N[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	N[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2{1|C<2>,1|O<2>,2|N<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7060	0.037	4	109.6881	0.002	7	109.3993	0.792	131	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	N[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	N[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2{1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.6643	0.061	3	109.6881	0.002	7	109.3993	0.792	131	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	N[6](C[5a]N[5a,6]C[5a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[6](C[5a]N[5a,6]C[5a])(C[6]C[6]HH)2{1|B<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.7728	0.109	4	109.7728	0.012	4	109.3993	0.792	131	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<2>,1|S<2>,2|H<1>}	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2{1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8059	0.067	7	109.8059	0.005	7	109.3993	0.792	131	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]S[6]HH)(H)2	N[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]S[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2{1|N<3>,1|S<2>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.2893	0.126	4	109.2893	0.016	4	109.3993	0.792	131	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]S[6]HH)(H)2	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]S[6]HH)(H)2{1|C<4>,1|N<2>,1|S<2>,2|H<1>}	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2{1|S<2>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3115	0.041	4	109.3115	0.002	4	109.3993	0.792	131	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]HH){1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.1580	0.007	2	109.0270	0.023	4	109.2343	0.819	50	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{3|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|H<1>,2|N<3>}	H(C[6]C[6]N[6]H)	108.8960	0.028	2	109.0270	0.023	4	109.2343	0.819	50	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	N[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	108.8305	0.018	2	108.8305	0.000	2	109.2343	0.819	50	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	N[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	107.9620	0.000	1	107.9620	0.000	1	109.2343	0.819	50	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]HH){2|H<1>,4|C<4>}	H(C[6]C[6]N[6]H)	109.0655	0.087	2	109.0655	0.008	2	109.2343	0.819	50	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CH3){1|B<3>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.3190	0.023	2	108.8017	2.565	6	109.2343	0.819	50	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CH3){1|Cu<2>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	107.0995	1.920	2	108.8017	2.565	6	109.2343	0.819	50	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CH3){3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.9865	0.011	2	108.8017	2.565	6	109.2343	0.819	50	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CN[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CN[6]HH){1|Al<4>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.3609	0.393	8	109.4013	0.675	35	109.2343	0.819	50	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CN[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CN[6]HH){1|Cu<3>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.3625	0.008	2	109.4013	0.675	35	109.2343	0.819	50	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CN[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CN[6]HH){1|Fe<4>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.6485	0.143	4	109.4013	0.675	35	109.2343	0.819	50	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CN[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CN[6]HH){1|Pd<4>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.8037	0.094	7	109.4013	0.675	35	109.2343	0.819	50	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CN[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CN[6]HH){2|H<1>,4|C<4>}	H(C[6]C[6]N[6]H)	108.5545	1.754	6	109.4013	0.675	35	109.2343	0.819	50	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CN[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CN[6]HH){3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6107	0.217	8	109.4013	0.675	35	109.2343	0.819	50	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:Si-4:	C[6]-4:	C[6](N[6]C[6,6]Si)(C[6]C[6]HH)(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(SiC3)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]Si)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(SiC3){2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.0345	0.053	2	109.3047	0.174	4	109.7680	1.043	43	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:Si-4:	C[6]-4:	C[6](N[6]C[6,6]Si)(C[6]C[6]HH)(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(SiC3)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]Si)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(SiC3){1|Cu<2>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.5750	0.477	2	109.3047	0.174	4	109.7680	1.043	43	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:Si-4:	C[6]-4:	C[6](N[6]C[6,6]Si)(C[6]C[6]HH)(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(SiN[6]CC)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]Si)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(SiN[6]CC){1|Si<4>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	110.0475	0.053	4	110.0475	0.003	4	109.7680	1.043	43	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:Si-4:	C[6]-4:	C[6](N[6]C[6,6]Si)(C[6]C[6]HH)(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(SiRuCC)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]Si)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(SiRuCC){2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.7890	1.113	35	109.7890	1.238	35	109.7680	1.043	43	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC3)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC3){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	108.8920	0.000	1	108.8920	0.000	1	109.2877	0.293	29	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	108.9827	0.091	4	108.9252	0.203	6	109.2877	0.293	29	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	108.8100	0.976	2	108.9252	0.203	6	109.2877	0.293	29	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3312	0.030	5	109.3312	0.001	5	109.2877	0.293	29	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH){3|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	108.9310	0.065	2	108.9310	0.004	2	109.2877	0.293	29	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.3295	0.068	6	109.3299	0.004	7	109.2877	0.293	29	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.3320	0.000	1	109.3299	0.004	7	109.2877	0.293	29	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]HH)(CCHH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4385	0.013	2	109.4385	0.000	2	109.2877	0.293	29	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]N[6]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH){1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.2067	0.091	3	109.2067	0.008	3	109.2877	0.293	29	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]N[6]HH)(H)2	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CH3){1|C<3>,2|H<1>,2|N<3>}	H(C[6]C[6]N[6]H)	110.5340	1.640	2	110.5340	2.691	2	109.2877	0.293	29	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]O[6]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]O[6]HH)(H)2{2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH){1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.5090	0.000	1	109.5090	0.000	1	109.2877	0.293	29	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:P-4:	C[6]-4:	C[6](N[6]C[6,6a]P)(C[6]C[6]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(PIrCC)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]P)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(PIrCC){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4280	0.031	2	109.4280	0.001	2	109.4280	0.001	2	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]CH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]S)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	108.7525	0.008	2	109.1137	0.174	4	109.2071	0.123	16	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]CH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]S)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.4750	0.037	2	109.1137	0.174	4	109.2071	0.123	16	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]HO)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]S)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7475	0.035	2	109.7475	0.001	2	109.2071	0.123	16	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]SiH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]S)(C[6]C[6]SiH)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	108.9020	0.061	2	109.1962	0.056	6	109.2071	0.123	16	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]SiH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]S)(C[6]C[6]SiH)(H)2{2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3432	0.074	4	109.1962	0.056	6	109.2071	0.123	16	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]O[6]CH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]S)(C[6]O[6]CH)(H)2{2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3260	0.016	2	109.3260	0.000	2	109.2071	0.123	16	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]S[6]HH)(H)2	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]S)(C[6]S[6]HH)(H)2{2|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(SC[6a]OO){1|S<2>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	108.7670	0.017	2	108.7670	0.000	2	109.2071	0.123	16	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[5,6]HH)(H)2	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]HH)(H)2{1|C<4>,2|H<1>,2|N<2>,2|O<2>}	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7422	0.113	4	109.7422	0.013	4	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.2408	0.143	4	109.2408	0.021	4	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2{1|C<4>,2|N<2>,4|H<1>}	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5180	0.023	2	109.5180	0.001	2	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HH)2{2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	109.7518	0.153	4	109.7518	0.023	4	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,1|N<2>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.3072	0.026	4	109.4246	0.017	8	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.5420	0.047	4	109.4246	0.017	8	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[5a,6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[6](C[6a]C[5a,6a]N[6a])(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6810	0.006	2	109.7563	0.011	6	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[5a,6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[6](C[6a]C[5a,6a]N[6a])(C[6]C[6]HH)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7940	0.113	4	109.7563	0.011	6	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|F<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	110.9900	3.169	4	109.6750	7.723	9	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|C<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	108.4067	2.468	4	109.6750	7.723	9	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.4880	0.000	1	109.6750	7.723	9	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a,6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a,6a]2)(C[6]C[6]HH)2{1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5380	0.019	6	109.5380	0.000	6	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)2{1|C<4>,1|N<2>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6235	0.103	10	109.6235	0.011	10	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7518	0.084	4	109.6266	0.014	44	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.6141	0.113	40	109.6266	0.014	44	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4103	0.321	16	109.3586	0.101	20	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.1517	0.235	4	109.3586	0.101	20	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]N[6]H)	110.2125	5.643	4	109.5183	1.144	143	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|B<4>,1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.5673	0.136	7	109.5183	1.144	143	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<2>,1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.5390	1.133	20	109.5183	1.144	143	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.4341	0.234	15	109.5183	1.144	143	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,2|F<1>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7545	0.129	6	109.5183	1.144	143	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]N[6]H)	109.4308	0.694	61	109.5183	1.144	143	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.7175	0.016	2	109.5183	1.144	143	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	109.6907	0.026	4	109.5183	1.144	143	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6972	0.159	11	109.5183	1.144	143	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{3|C<3>,6|H<1>}	H(C[6]C[6]N[6]H)	109.8605	0.250	2	109.5183	1.144	143	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|F<1>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5658	0.031	4	109.5183	1.144	143	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]N[6]H)	109.7865	2.432	2	109.5183	1.144	143	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]N[6]H)	109.1863	0.075	4	109.5183	1.144	143	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{3|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	108.0350	0.000	1	109.5183	1.144	143	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<4>,3|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.3285	0.055	4	109.4827	0.235	71	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<2>,1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6583	0.137	15	109.4827	0.235	71	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4408	0.120	4	109.4827	0.235	71	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	107.9553	1.190	4	109.4827	0.235	71	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.5414	0.123	17	109.4827	0.235	71	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5293	0.210	17	109.4827	0.235	71	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7707	0.151	6	109.4827	0.235	71	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.6685	0.254	4	109.4827	0.235	71	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6847	0.104	10	109.6244	0.020	65	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6130	0.137	3	109.6244	0.020	65	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<2>,4|H<1>}	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6004	0.134	50	109.6244	0.020	65	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<2>,4|H<1>}	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.9400	0.035	2	109.6244	0.020	65	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4848	0.047	6	109.4848	0.002	6	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|C<4>,2|F<1>,2|H<1>}	H(C[6]C[6]N[6]H)	110.0069	0.646	15	109.6804	0.732	32	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<4>,2|C<3>,2|F<1>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5980	0.000	1	109.6804	0.732	32	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,2|C<4>,2|F<1>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3796	0.959	16	109.6804	0.732	32	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2{1|N<2>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.5426	0.316	7	109.5410	0.064	14	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2{1|N<4>,3|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.5394	0.198	7	109.5410	0.064	14	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[5a,6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	N[6](C[6a]C[5a,6a]N[6a])(C[6]C[6]HH)2{1|N<4>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7625	0.033	4	109.7625	0.001	4	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|F<1>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7199	0.284	30	109.7272	0.071	36	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|F<1>,1|N<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8290	0.197	3	109.7272	0.071	36	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|N<3>,1|N<4>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.6990	0.114	3	109.7272	0.071	36	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|N<2>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.4943	0.079	3	110.0915	1.269	24	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|N<3>,3|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	110.4526	1.525	12	110.0915	1.269	24	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|N<3>,4|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8497	0.183	6	110.0915	1.269	24	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|N<4>,3|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.7277	0.133	3	110.0915	1.269	24	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]B[6]CH)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|B<3>,1|C<4>,1|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]B[6]CH)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3705	0.008	2	109.3705	0.000	2	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.3392	0.131	4	109.5918	0.276	578	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.6603	0.174	30	109.5918	0.276	578	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	H(C[6]C[6]N[6]H)	109.7684	0.489	7	109.5918	0.276	578	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<4>,2|C<3>,2|F<1>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5215	0.060	2	109.5918	0.276	578	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<4>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.9112	1.064	4	109.5918	0.276	578	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<4>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.6863	0.650	96	109.5918	0.276	578	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.7032	0.138	24	109.5918	0.276	578	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,1|S<2>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.6862	0.166	11	109.5918	0.276	578	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,6|H<1>}	H(C[6]C[6]N[6]H)	109.4200	0.273	29	109.5918	0.276	578	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.7284	0.210	16	109.5918	0.276	578	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|Cl<1>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.7793	1.741	8	109.5918	0.276	578	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.5210	0.051	3	109.5918	0.276	578	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.5759	0.236	14	109.5918	0.276	578	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	H(C[6]C[6]N[6]H)	109.3904	0.315	84	109.5918	0.276	578	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,3|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.6058	0.118	6	109.5918	0.276	578	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<2>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.2310	0.196	4	109.5918	0.276	578	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<3>,1|N<2>,1|N<3>,6|H<1>}	H(C[6]C[6]N[6]H)	109.1663	0.021	3	109.5918	0.276	578	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.6380	0.053	4	109.5918	0.276	578	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|Cl<1>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.7218	0.159	28	109.5918	0.276	578	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.7128	0.169	52	109.5918	0.276	578	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.6456	0.051	13	109.5918	0.276	578	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|F<1>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8697	0.161	3	109.5918	0.276	578	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	H(C[6]C[6]N[6]H)	109.3774	0.673	58	109.5918	0.276	578	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<4>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.6302	0.020	4	109.5918	0.276	578	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|Cl<1>,1|N<4>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	110.0069	1.097	15	109.5918	0.276	578	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<4>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.6033	0.829	28	109.5918	0.276	578	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.6411	0.099	16	109.5918	0.276	578	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,2|F<1>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7773	0.147	4	109.5918	0.276	578	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,6|H<1>}	H(C[6]C[6]N[6]H)	109.2982	0.071	8	109.5918	0.276	578	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|F<1>,1|N<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6160	0.057	4	109.4366	0.698	63	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<4>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	110.8735	0.753	4	109.4366	0.698	63	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<3>,1|N<2>,1|N<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.6707	0.123	4	109.4366	0.698	63	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|F<1>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6440	0.073	3	109.4366	0.698	63	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.5946	0.084	12	109.4366	0.698	63	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8400	0.223	4	109.4366	0.698	63	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<4>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.5820	0.282	3	109.4366	0.698	63	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<3>,1|N<2>,1|N<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.4453	0.030	4	109.4366	0.698	63	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	108.9565	1.033	25	109.4366	0.698	63	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,1|N<4>,4|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7745	0.015	2	109.7745	0.000	2	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]N[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|N<2>}	N[6](C[6a]N[6a]2)(C[6]C[6]CH)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6385	0.022	2	109.6385	0.000	2	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<2>,1|C<4>,2|H<1>,2|N<2>}	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6963	0.015	3	109.6084	0.022	82	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<2>}	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5608	0.170	26	109.6084	0.022	82	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|N<2>,4|H<1>}	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6424	0.102	35	109.6084	0.022	82	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|Cu<4>,1|C<4>,2|N<2>,3|H<1>}	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5486	0.289	7	109.6084	0.022	82	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>,2|N<2>}	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6262	0.057	8	109.6084	0.022	82	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<4>,2|N<2>,3|H<1>}	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6277	0.144	3	109.6084	0.022	82	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.6323	0.074	3	109.6323	0.005	3	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.8654	0.153	8	109.8654	0.023	8	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.8358	0.134	11	109.8358	0.018	11	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7735	0.029	4	109.7735	0.001	4	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|B<3>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.9460	0.024	3	109.7456	0.147	123	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<2>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	110.0680	0.147	4	109.7456	0.147	123	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<2>,1|O<2>,5|H<1>}	H(C[6]C[6]N[6]H)	109.9588	0.096	4	109.7456	0.147	123	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,5|H<1>}	H(C[6]C[6]N[6]H)	109.5318	0.093	4	109.7456	0.147	123	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.0675	1.124	4	109.7456	0.147	123	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<2>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8283	0.434	19	109.7456	0.147	123	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.7043	0.042	4	109.7456	0.147	123	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.8506	0.141	31	109.7456	0.147	123	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.9340	0.100	3	109.7456	0.147	123	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|O<2>,2|C<3>,6|H<1>}	H(C[6]C[6]N[6]H)	109.5298	0.429	28	109.7456	0.147	123	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.8034	0.073	15	109.7456	0.147	123	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{2|C<3>,2|O<2>,5|H<1>}	H(C[6]C[6]N[6]H)	109.9395	0.250	4	109.7456	0.147	123	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<2>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.9592	0.175	4	109.7239	0.365	74	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<3>,1|N<3>,1|O<2>,5|H<1>}	H(C[6]C[6]N[6]H)	109.6730	0.103	4	109.7239	0.365	74	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|Cl<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7032	0.169	4	109.7239	0.365	74	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<2>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8468	0.088	12	109.7239	0.365	74	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.6550	0.789	42	109.7239	0.365	74	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8190	0.169	8	109.7239	0.365	74	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.6566	0.112	7	109.7392	0.022	64	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.9233	0.176	6	109.7392	0.022	64	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>,2|N<2>}	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|C<3>,1|N<2>,1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6377	0.088	4	109.7392	0.022	64	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>,2|N<2>}	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7366	0.134	47	109.7392	0.022	64	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]S[6]HH)(H)2	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]S[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|S<2>,3|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.4595	0.020	4	109.4595	0.000	4	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]S[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]S[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|S<2>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.3775	0.123	15	109.3775	0.015	15	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]S[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]S[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<3>,1|N<2>,1|S<2>,5|H<1>}	H(C[6]C[6]N[6]H)	109.3303	0.047	3	109.3303	0.002	3	109.6117	0.369	1550	109.5766	0.424	2014	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	3:5:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:Si-5:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]Si)(C[6]C[6]HH)(H)2	N[6](C[6,6]N[6,6]N[6])(SiN[6]CuCC)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]Si)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	N[6](C[6,6]N[6,6]N[6])(SiN[6]CuCC)(C[6]C[6]HH){2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	110.1317	0.099	4	110.1317	0.010	4	110.1317	0.010	4	110.1317	0.010	4	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	4:3:3:	4:	N[6]-3:C[6]-4:Cl-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(Cl)(H)	N[6](C[6]C[6]ClH)(C[6a]C[6a]2)(C[6]C[6]O)	H(C[6]C[6]N[6]Cl)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(Cl)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6](C[6]C[6]ClH)(C[6a]C[6a]2)(C[6]C[6]O){2|C<3>,7|C<4>}	H(C[6]C[6]N[6]Cl)	107.6650	0.000	1	107.6650	0.000	1	107.6650	0.000	1	107.6650	0.000	1	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6,6]C[6]3)(H)2	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)	H(C[6]C[6,6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6,6]C[6]3)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,6|H<1>}	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]N[6]H)	109.4720	0.209	4	109.4720	0.044	4	109.4720	0.044	4	109.4059	0.662	19	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	B[5a]-4:C[5,6]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[5,6]B[5a])(C[6]C[6]HH)(H)2	N[6](B[5a]B[5a]O[5a]2)(C[5,6]N[5,6]C[5])(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]B[5a])(C[6]C[6]HH)(H)2{1|B<4>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	N[6](B[5a]B[5a]O[5a]2)(C[5,6]N[5,6]C[5])(C[6]C[6]HH){1|N<3>,2|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	108.5800	0.436	2	108.5800	0.190	2	108.5800	0.190	2	109.4059	0.662	19	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]C[6a])(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]O[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[6](C[6,6]C[6,6]O[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){3|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8145	0.025	2	109.8145	0.001	2	109.8145	0.001	2	109.4059	0.662	19	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[5,6]HH)(H)2	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5320	0.000	1	109.5320	0.000	1	109.6453	1.013	9	109.4059	0.662	19	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<4>,4|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.8595	2.787	2	109.8595	7.766	2	109.6453	1.013	9	109.4059	0.662	19	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|O<2>,3|H<1>,6|C<3>}	H(C[6]C[6]N[6]H)	109.7260	0.039	4	109.7260	0.002	4	109.6453	1.013	9	109.4059	0.662	19	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HO)(H)2	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3265	0.008	2	109.3265	0.000	2	109.6453	1.013	9	109.4059	0.662	19	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	Ge[6]-4:B[5a]-3:C[6]-4:	C[6]-4:	C[6](N[6]B[5a]Ge[6])(C[6]C[6]HH)(H)2	N[6](Ge[6]N[6]OO)(B[5a]N[5a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]B[5a]Ge[6])(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,3|N<3>}	N[6](Ge[6]N[6]OO)(B[5a]N[5a]2)(C[6]C[6]HH){1|B<3>,1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	108.6140	0.069	2	108.6140	0.005	2	108.6140	0.005	2	109.4059	0.662	19	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	4:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	P[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,2|N<2>}	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|P<4>}	H(C[6]C[6]N[6]H)	109.2240	0.006	2	109.2240	0.000	2	109.4797	0.331	8	109.4797	0.331	8	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	4:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	P[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,2|N<2>}	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H){1|C<4>,2|P<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.7270	0.185	2	109.5650	0.428	6	109.4797	0.331	8	109.4797	0.331	8	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	4:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	P[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,2|N<2>}	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|P<4>}	H(C[6]C[6]N[6]H)	109.9840	0.005	4	109.5650	0.428	6	109.4797	0.331	8	109.4797	0.331	8	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	4:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[3x6]C)(C[6]C[6]HH)(H)2	N[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]O)	H(C[6]C[6]N[6]H)	C[6](N[6]C[3x6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	N[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]O){1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	109.2123	0.072	4	109.2123	0.005	4	109.2123	0.005	4	109.5220	0.071	81	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	4:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[5,6,6]C)(C[6]C[6]HH)(H)2	N[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(CCO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(CCO){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	109.8445	0.013	4	109.8445	0.000	4	109.8445	0.000	4	109.5220	0.071	81	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	4:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	N[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CC[6a]O)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CC[6a]O){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.1450	0.011	2	109.1450	0.000	2	109.5162	0.074	16	109.5220	0.071	81	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	4:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]O)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]O){1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	109.4363	0.073	4	109.4363	0.005	4	109.5162	0.074	16	109.5220	0.071	81	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	4:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(COO){4|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	109.6338	0.129	4	109.6338	0.017	4	109.5162	0.074	16	109.5220	0.071	81	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	4:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	N[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(CCO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	N[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(CCO){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.2855	0.008	2	109.2855	0.000	2	109.5162	0.074	16	109.5220	0.071	81	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	4:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]C[6]HO)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO){1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5080	0.042	2	109.5080	0.002	2	109.5162	0.074	16	109.5220	0.071	81	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	4:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]C[6]HO)(H)2	N[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	N[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCO){2|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6]N[6]H)	110.0515	0.039	2	110.0515	0.002	2	109.5162	0.074	16	109.5220	0.071	81	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	4:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[5,6]C[6])(C[6]C[6]HH)(H)2	N[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(C[6]N[6]Pd)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C[6])(C[6]C[6]HH)(H)2{1|Pd<4>,1|N<3>,2|C<4>,3|H<1>}	N[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(C[6]N[6]Pd){4|H<1>,6|C<4>}	H(C[6]C[6]N[6]H)	109.6723	0.235	3	109.6723	0.055	3	109.4944	0.087	5	109.5220	0.071	81	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	4:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[5,6]C[6])(C[6]N[6]HH)(H)2	N[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C[6])(C[6]N[6]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	N[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,4|H<1>,6|C<4>}	H(C[6]C[6]N[6]H)	109.2275	0.046	2	109.2275	0.002	2	109.4944	0.087	5	109.5220	0.071	81	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	4:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N-3:	C[6]-4:	C[6](N[6]C[5,6]N)(C[6]N[6]HH)(H)2	N[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(NOO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]N)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,2|N<3>}	N[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(NOO){1|C<3>,3|H<1>,3|N<3>}	H(C[6]C[6]N[6]H)	110.1005	0.039	2	110.1005	0.002	2	110.1005	0.002	2	109.5220	0.071	81	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	4:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	N[6](C[5]C[5]2Fe)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|Fe<10>,1|O<1>,2|H<1>,3|C<4>}	N[6](C[5]C[5]2Fe)(C[6]C[6]HH)(C[6]C[6]O){3|C<4>,6|H<1>}	H(C[6]C[6]N[6]H)	108.7025	0.016	2	108.7025	0.000	2	108.7025	0.000	2	109.5220	0.071	81	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	4:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CC[6a]O)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CC[6a]O){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6670	0.018	2	109.6670	0.000	2	109.5480	0.044	6	109.5220	0.071	81	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	4:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCO){3|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	109.2790	0.027	2	109.2790	0.001	2	109.5480	0.044	6	109.5220	0.071	81	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	4:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]O[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCO){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6980	0.034	2	109.6980	0.001	2	109.5480	0.044	6	109.5220	0.071	81	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	4:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:P-3:	C[6]-4:	C[6](N[6]C[6,6]P)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(POO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]P)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(POO){3|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	109.2940	0.010	2	109.2940	0.000	2	109.2940	0.000	2	109.5220	0.071	81	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	4:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[4]-3:	C[6]-4:	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(C[4]C[4]2)	H(C[6]C[6]N[6]H)	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(C[4]C[4]2){1|Sn<5>,1|C<3>,1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5160	0.132	8	109.5160	0.017	8	109.5160	0.017	8	109.5220	0.071	81	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	4:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(C[5]C[5]2)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(C[5]C[5]2){1|Cl<1>,1|C<3>,1|C<4>,2|O<2>,5|H<1>}	H(C[6]C[6]N[6]H)	109.4490	0.035	3	109.6213	0.024	9	109.5831	0.017	30	109.5220	0.071	81	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	4:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(C[5]C[5]2)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6]C[6]HH)2(C[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	H(C[6]C[6]N[6]H)	109.5980	0.014	2	109.6213	0.024	9	109.5831	0.017	30	109.5220	0.071	81	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	4:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(C[5]C[5]2)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(C[5]C[5]2){1|B<4>,3|C<4>,7|H<1>}	H(C[6]C[6]N[6]H)	109.7622	0.087	4	109.6213	0.024	9	109.5831	0.017	30	109.5220	0.071	81	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	4:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(C[5]S[5]2)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|S<2>,4|H<1>}	N[6](C[6]C[6]HH)2(C[5]S[5]2){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5080	0.081	4	109.5080	0.007	4	109.5831	0.017	30	109.5220	0.071	81	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	4:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(C[5]C[5]2)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	N[6](C[6]C[6]HH)2(C[5]C[5]2){1|Cl<1>,1|C<3>,1|N<3>,2|O<2>,5|H<1>}	H(C[6]C[6]N[6]H)	109.5101	0.115	7	109.5101	0.013	7	109.5831	0.017	30	109.5220	0.071	81	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	4:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(C[5]N[5]2)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{1|N<2>,1|N<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(C[5]N[5]2){1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.6564	0.117	7	109.6298	0.011	10	109.5831	0.017	30	109.5220	0.071	81	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	4:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(C[5]N[5]2)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{1|N<2>,1|N<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(C[5]N[5]2){1|N<4>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.5677	0.021	3	109.6298	0.011	10	109.5831	0.017	30	109.5220	0.071	81	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	4:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	Ga[5]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]Ga[5]C[6])(C[6]C[6]HH)(H)2	N[6](Ga[5]N[5]2P)(C[6]C[6]HH)(C[6]N[6]C)	H(C[6]C[6]N[6]H)	C[6](N[6]Ga[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|P<3>,2|H<1>,3|N<3>}	N[6](Ga[5]N[5]2P)(C[6]C[6]HH)(C[6]N[6]C){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	109.1090	0.018	2	109.1090	0.000	2	109.1090	0.000	2	109.5220	0.071	81	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	B[6,6]-4:C[6]-4:P-4:	C[6]-4:	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2	N[6](B[6,6]N[6,6]N[6]F)(C[6]C[6]HH)(PC[6a]2Mo)	H(C[6]C[6]N[6]H)	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2{1|F<1>,2|H<1>,2|N<4>}	N[6](B[6,6]N[6,6]N[6]F)(C[6]C[6]HH)(PC[6a]2Mo){1|P<4>,3|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	108.9580	0.057	2	108.9580	0.003	2	109.4676	0.066	19	109.4791	0.126	58	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	B[6,6]-4:C[6]-4:P-4:	C[6]-4:	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2	N[6](B[6,6]N[6,6]N[6]F)(C[6]C[6]HH)(PC[6a]2Ni)	H(C[6]C[6]N[6]H)	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2{1|F<1>,1|N<3>,1|N<4>,2|H<1>}	N[6](B[6,6]N[6,6]N[6]F)(C[6]C[6]HH)(PC[6a]2Ni){1|P<4>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.7449	0.063	7	109.7449	0.004	7	109.4676	0.066	19	109.4791	0.126	58	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	B[6,6]-4:C[6]-4:P-4:	C[6]-4:	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2	N[6](B[6,6]N[6,6]N[6]O)(C[6]C[6]HH)(PC[6a]2Ni)	H(C[6]C[6]N[6]H)	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2{1|N<3>,1|N<4>,1|O<2>,2|H<1>}	N[6](B[6,6]N[6,6]N[6]O)(C[6]C[6]HH)(PC[6a]2Ni){1|P<4>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.3903	0.026	4	109.3903	0.001	4	109.4676	0.066	19	109.4791	0.126	58	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	B[6,6]-4:C[6]-4:P-4:	C[6]-4:	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2	N[6](B[6,6]N[6,6]N[6]O)(C[6]C[6]HH)(PC[6a]2Pd)	H(C[6]C[6]N[6]H)	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2{1|N<3>,1|N<4>,1|O<2>,2|H<1>}	N[6](B[6,6]N[6,6]N[6]O)(C[6]C[6]HH)(PC[6a]2Pd){1|P<4>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.3657	0.049	6	109.3657	0.002	6	109.4676	0.066	19	109.4791	0.126	58	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]N[6]HH)(H)2	N[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]N[6]HH)(H)2{1|Fe<8>,3|C<4>}	N[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(CCHH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4040	0.006	2	109.4040	0.000	2	109.4040	0.000	2	109.4791	0.126	58	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6,6]S)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]S)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	107.9670	0.215	2	107.9670	0.046	2	107.9670	0.046	2	109.4791	0.126	58	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	P[4]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6]P[4])(C[6]N[6]HH)(H)2	N[6](P[4]N[4]2Cu)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]P[4])(C[6]N[6]HH)(H)2{1|Cu<4>,2|C<4>,2|H<1>,2|N<3>}	N[6](P[4]N[4]2Cu)(C[6]C[6]HH)2{1|N<3>,1|P<4>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5790	0.088	11	109.5790	0.008	11	109.5958	0.016	27	109.4791	0.126	58	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	P[4]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6]P[4])(C[6]N[6]HH)(H)2	N[6](P[4]N[4]2Se)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]P[4])(C[6]N[6]HH)(H)2{1|Se<1>,2|H<1>,2|N<3>,3|C<4>}	N[6](P[4]N[4]2Se)(C[6]C[6]HH)2{1|N<4>,1|P<4>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5096	0.090	9	109.5096	0.008	9	109.5958	0.016	27	109.4791	0.126	58	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	P[4]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6]P[4])(C[6]O[6]HH)(H)2	N[6](P[4]N[4]2Cu)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]P[4])(C[6]O[6]HH)(H)2{1|Cu<3>,1|C<4>,2|H<1>,2|N<3>}	N[6](P[4]N[4]2Cu)(C[6]C[6]HH)2{1|O<2>,1|P<4>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7687	0.122	4	109.7331	0.010	7	109.5958	0.016	27	109.4791	0.126	58	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	P[4]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6]P[4])(C[6]O[6]HH)(H)2	N[6](P[4]N[4]2Cu)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]P[4])(C[6]O[6]HH)(H)2{1|Cu<4>,1|C<4>,2|H<1>,2|N<3>}	N[6](P[4]N[4]2Cu)(C[6]C[6]HH)2{1|O<2>,1|P<4>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6857	0.044	3	109.7331	0.010	7	109.5958	0.016	27	109.4791	0.126	58	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	P[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,2|N<2>}	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CCHH){1|C<4>,2|P<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.0910	0.047	2	109.0910	0.002	2	109.0910	0.002	2	109.4791	0.126	58	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	P[6,6]-4:P[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]P[6,6]P[6])(C[6]C[6]HH)(H)2	N[6](P[6,6]N[6]2O[6])(P[6]N[6]2Cl)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]P[6,6]P[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|O<2>,2|H<1>,4|N<2>}	N[6](P[6,6]N[6]2O[6])(P[6]N[6]2Cl)(C[6]C[6]HH){1|C<4>,2|H<1>,4|P<4>}	H(C[6]C[6]N[6]H)	109.6482	0.153	6	109.6482	0.023	6	109.6482	0.023	6	109.4791	0.126	58	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:2:1:	3:3:4:	4:	N[6]-3:C[6]-4:O-2:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(OC)(H)	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HO)	H(C[6]C[6]N[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(OC)(H){1|O<1>,2|C<3>,3|C<4>}	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HO){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]O)	108.2670	0.000	1	108.2670	0.000	1	108.7273	0.164	3	108.7273	0.164	3	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:2:1:	3:3:4:	4:	N[6]-3:C[6]-4:O-2:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(OH)(H)	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HO)	H(C[6]C[6]N[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(OH)(H){1|O<1>,2|C<3>,3|C<4>}	N[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]HO){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]O)	108.9575	0.104	2	108.9575	0.011	2	108.7273	0.164	3	108.7273	0.164	3	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:2:1:	3:4:1:	4:	N[6]-3:C[5]-4:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[5]C[5]2Mn)(O[6]C[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]O[6]H)(H)	H(C[6]C[5]N[6]O[6])	C[6](N[6]C[6,6a]H)(C[5]C[5]2Mn)(O[6]C[6])(H){2|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]O[6]H)(H){1|Mn<8>,1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[5]N[6]O[6])	109.2320	0.000	1	109.2320	0.000	1	109.2000	0.233	3	109.2000	0.233	3	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:2:1:	3:4:1:	4:	N[6]-3:C[5]-4:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[5]C[5]2Re)(O[6]C[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]O[6]H)(H)	H(C[6]C[5]N[6]O[6])	C[6](N[6]C[6,6a]H)(C[5]C[5]2Re)(O[6]C[6])(H){2|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]O[6]H)(H){1|Re<8>,1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[5]N[6]O[6])	109.1840	0.682	2	109.1840	0.465	2	109.2000	0.233	3	109.2000	0.233	3	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:2:1:	3:4:3:	4:	N[6]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(OC)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCO)	H(C[6]C[6]N[6]O)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(OC)(H){2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCO){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]O)	109.0340	0.000	1	109.0340	0.000	1	109.3420	0.190	2	109.1703	0.107	4	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:2:1:	3:4:3:	4:	N[6]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]NiH)(OC)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO)	H(C[6]C[6]N[6]O)	C[6](N[6]C[6,6a]C)(C[6]C[6]NiH)(OC)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO){1|Ni<4>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]O)	109.6500	0.000	1	109.6500	0.000	1	109.3420	0.190	2	109.1703	0.107	4	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:2:1:	3:4:3:	4:	N[6]-3:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(OC)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)	H(C[6]C[6]N[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(OC)(H){2|H<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]N[6]O)	108.9160	0.000	1	108.9160	0.000	1	108.9985	0.014	2	109.1703	0.107	4	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:2:1:	3:4:3:	4:	N[6]-3:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(OH)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)	H(C[6]C[6]N[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(OH)(H){2|H<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]O)	109.0810	0.000	1	109.0810	0.000	1	108.9985	0.014	2	109.1703	0.107	4	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:2:1:	3:4:4:	4:	N[6]-3:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(OO)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HO)2	H(C[6]C[6]N[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(OO)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HO)2{1|C<4>,1|F<1>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]O)	109.6115	0.221	2	109.6115	0.049	2	109.6115	0.049	2	109.6115	0.049	2	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:2:1:	4:4:3:	4:	N[6]-3:C[6]-4:S-2:H-1:	C[5]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(SC)(H)	N[6](C[5]C[5,5]O[5]H)(C[6]C[6]HS)(C[6]N[6]O)	H(C[6]C[6]N[6]S)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(SC)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	N[6](C[5]C[5,5]O[5]H)(C[6]C[6]HS)(C[6]N[6]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]S)	108.5955	1.289	2	108.5955	1.662	2	108.5955	1.662	2	108.5955	1.662	2	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	3:4:1:	4:	C[5a]-3:C[5,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5a]H)(H)	H(C[6]C[5,6]C[5a]N[6])	C[6](C[5a]C[5a,6a]C[5a])(C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(H){1|N<3>,4|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5a]H)(H){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[5a]N[6])	109.2170	0.000	1	109.2170	0.000	1	109.2170	0.000	1	107.7751	0.684	7	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	3:4:1:	4:	C[6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]N[6])	107.9810	0.000	2	107.9810	0.000	2	107.9810	0.000	2	107.7751	0.684	7	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	3:4:1:	4:	N[6]-3:C[6,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](N[6]C[6,6a]H)(C[6,6]C[6]3)(C[6a]C[6a]2)(H){2|N<3>,2|O<1>,3|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){1|C<4>,1|H<1>,6|C<3>}	H(C[6]C[6,6]C[6a]N[6])	107.5235	0.540	2	107.5235	0.291	2	107.5235	0.291	2	107.7751	0.684	7	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	3:4:1:	4:	N[6]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(COO)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(COO)(H){1|H<1>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	106.5460	0.000	1	106.5460	0.000	1	107.1000	0.614	2	107.7751	0.684	7	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	3:4:1:	4:	N[6]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]S[6]HH)(COO)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]H)(C[6]S[6]HH)(COO)(H){2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|C<2>,1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	107.6540	0.000	1	107.6540	0.000	1	107.1000	0.614	2	107.7751	0.684	7	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(N[6]C[6,6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5]H)(CCO)	H(C[6]C[6,6a]C[5]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(N[6]C[6,6a]C)(H){2|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5]H)(CCO){1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[5]N[6])	107.1130	0.000	1	107.1130	0.000	1	107.1130	0.000	1	107.3377	1.468	10	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	3:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6]B[5]C[6]H)(N[6]C[6,6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a,6a]C[6a])(C[6]B[5]C[6]H)(N[6]C[6,6a]C)(H){2|O<2>,3|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO){1|B<3>,1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	106.8790	0.000	1	106.8790	0.000	1	106.8790	0.000	1	107.3377	1.468	10	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	3:4:3:	4:	N[6]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HO)(COO)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]O)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]C)(C[6]C[6]HO)(COO)(H){1|H<1>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	105.4390	0.000	1	105.4390	0.000	1	105.4390	0.000	1	107.3377	1.468	10	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	3:4:3:	4:	N[6]-3:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[5,6]CC)(CCH)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]CC)(CCH)(H){6|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C){1|C<4>,2|C<2>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]C)	108.3280	0.000	1	108.3280	0.000	1	107.9648	1.805	5	107.3377	1.468	10	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	3:4:3:	4:	N[6]-3:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[5,6]CC)(CCH)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]CC)(CCH)(H){1|H<1>,5|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|C<4>,2|C<2>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]C)	109.2040	0.000	1	109.2040	0.000	1	107.9648	1.805	5	107.3377	1.468	10	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	3:4:3:	4:	N[6]-3:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(COO)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(COO)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]N[6]C)	108.3145	0.088	2	108.3145	0.008	2	107.9648	1.805	5	107.3377	1.468	10	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	3:4:3:	4:	N[6]-3:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(COO)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(COO)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]N[6]C)	105.6630	0.000	1	105.6630	0.000	1	107.9648	1.805	5	107.3377	1.468	10	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	3:4:3:	4:	N[6]-3:C[6]-4:C-3:H-1:	N[6,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[6]N[6,6]C)(C[6]N[6]HH)(CCC)(H)	N[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(CC[6a]O)	H(C[6]C[6]N[6]C)	C[6](N[6]N[6,6]C)(C[6]N[6]HH)(CCC)(H){1|S<4>,2|C<4>}	N[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(CC[6a]O){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]N[6]C)	107.0610	0.074	2	107.0610	0.005	2	107.0610	0.005	2	107.3377	1.468	10	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	3:4:4:	4:	N[6]-3:C[6,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(SC[6a]OO)	H(C[6]C[6,6]C[6a]N[6])	C[6](N[6]C[6,6a]S)(C[6,6]C[6]3)(C[6a]C[6a]2)(H){1|Br<1>,2|H<1>,2|N<3>,2|O<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(SC[6a]OO){1|C<4>,1|H<1>,6|C<3>}	H(C[6]C[6,6]C[6a]N[6])	107.0450	0.000	1	107.0450	0.000	1	107.0450	0.000	1	106.8860	0.026	3	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	3:4:4:	4:	N[6]-3:C[6]-4:C[6a]-3:H-1:	C[5a,6]-3:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[5a,6]S)(C[6]C[6]BrC)(C[6a]C[6a]2)(H)	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]C[6]H)(SC[6a]OO)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[5a,6]S)(C[6]C[6]BrC)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,4|C<3>}	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]C[6]H)(SC[6a]OO){1|Br<1>,1|C<4>,1|O<2>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	106.8910	0.000	1	106.8910	0.000	1	106.8065	0.014	2	106.8860	0.026	3	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	3:4:4:	4:	N[6]-3:C[6]-4:C[6a]-3:H-1:	C[5a,6]-3:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[5a,6]S)(C[6]C[6]ClC)(C[6a]C[6a]2)(H)	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]C[6]H)(SC[6a]OO)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[5a,6]S)(C[6]C[6]ClC)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,4|C<3>}	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]C[6]H)(SC[6a]OO){1|Cl<1>,1|C<4>,1|O<2>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	106.7220	0.000	1	106.7220	0.000	1	106.8065	0.014	2	106.8860	0.026	3	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:2:1:	4:	C[6]-3:C[5]-4:N[6]-3:H-1:	C[6]-4:N[6]-2:H-1:	C[6]-4:	C[6](C[6]N[6,6]N)(C[5]C[5]2H)(N[6]N[6]H)(H)	N[6](C[6]C[5]C[6]H)(N[6]C[6,6])(H)	H(C[6]C[5]C[6]N[6])	C[6](C[6]N[6,6]N)(C[5]C[5]2H)(N[6]N[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[5]C[6]H)(N[6]C[6,6])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|C<4>}	H(C[6]C[5]C[6]N[6])	108.8570	0.000	1	108.8570	0.000	1	108.8570	0.000	1	108.8570	0.000	1	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:2:3:	4:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6]-4:N[6]-2:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(N[6]N[6]C)(H)	N[6](C[6]C[6,6a]C[5]H)(N[6]C[6])(CCO)	H(C[6]C[6,6a]C[5]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(N[6]N[6]C)(H){2|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[5]H)(N[6]C[6])(CCO){1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[5]N[6])	108.1720	0.000	1	108.1720	0.000	1	108.1720	0.000	1	107.9335	0.114	2	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:2:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-2:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(H)	N[6](C[6]C[6a]C[6]H)(N[6]C[6])(CCO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(H){3|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(N[6]C[6])(CCO){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.6950	0.000	1	107.6950	0.000	1	107.6950	0.000	1	107.9335	0.114	2	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:1:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5a]N[5a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]N[5a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>,2|N<2>}	N[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|N<2>,1|N<3>,4|H<1>}	H(C[6]C[5a]C[6]N[6])	107.8620	1.076	2	107.8620	1.158	2	107.8620	1.158	2	108.6063	0.716	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:1:	4:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]O)(H)	H(C[6]C[6,6a]C[6]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|O<1>,4|C<3>}	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]O)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]N[6])	107.9490	0.000	1	107.9490	0.000	1	107.9490	0.000	1	108.6063	0.716	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]H)(H){1|N<2>,1|S<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){1|C<2>,1|C<4>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	108.0180	0.000	1	108.0180	0.000	1	108.6694	0.695	34	108.6063	0.716	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	108.7800	0.000	1	109.1870	0.258	12	108.6694	0.695	34	108.6063	0.716	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|O<2>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	109.5090	0.000	1	109.1870	0.258	12	108.6694	0.695	34	108.6063	0.716	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	109.1955	0.534	10	109.1870	0.258	12	108.6694	0.695	34	108.6063	0.716	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	108.4080	0.000	1	108.3323	0.104	3	108.6694	0.695	34	108.6063	0.716	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>,2|O<2>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.9790	0.000	1	108.3323	0.104	3	108.6694	0.695	34	108.6063	0.716	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,1|S<1>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	108.6100	0.000	1	108.3323	0.104	3	108.6694	0.695	34	108.6063	0.716	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|I<1>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6a]C[6]N[6])	108.7680	0.126	2	108.7680	0.016	2	108.6694	0.695	34	108.6063	0.716	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.7630	0.000	1	107.7630	0.000	1	108.6694	0.695	34	108.6063	0.716	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,1|S<1>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	108.7620	0.000	1	108.3470	0.344	2	108.6694	0.695	34	108.6063	0.716	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|N<3>,1|O<2>,1|S<1>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.9320	0.000	1	108.3470	0.344	2	108.6694	0.695	34	108.6063	0.716	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	109.0275	1.490	4	108.9736	1.680	5	108.6694	0.695	34	108.6063	0.716	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	108.7580	0.000	1	108.9736	1.680	5	108.6694	0.695	34	108.6063	0.716	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]S[6]N)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|N<3>,1|S<2>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]S[6]N)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	108.1437	0.313	3	108.1437	0.098	3	108.6694	0.695	34	108.6063	0.716	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	106.3960	0.000	1	107.6900	3.349	2	108.6694	0.695	34	108.6063	0.716	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	108.9840	0.000	1	107.6900	3.349	2	108.6694	0.695	34	108.6063	0.716	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	108.2310	0.000	1	108.2310	0.000	1	108.6694	0.695	34	108.6063	0.716	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]H)(H){1|N<3>,1|S<1>,2|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){1|C<4>,1|H<1>,1|S<2>,1|S<4>,2|C<3>}	H(C[6]C[6a]C[6]N[6])	108.2985	0.757	2	108.2985	0.574	2	108.6694	0.695	34	108.6063	0.716	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:3:	4:	C[6,6]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:B[5a]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]N[6]H)(N[6]B[5a]C[6])(H)	N[6](C[6]C[6,6]C[6]H)(B[5a]N[5a]2)(C[6]C[6,6]H)	H(C[6]C[6,6]C[6]N[6])	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]N[6]H)(N[6]B[5a]C[6])(H){1|B<3>,2|C<4>,3|C<3>,3|H<1>,3|N<3>}	N[6](C[6]C[6,6]C[6]H)(B[5a]N[5a]2)(C[6]C[6,6]H){1|H<1>,1|N<3>,2|C<4>,6|C<3>}	H(C[6]C[6,6]C[6]N[6])	106.5077	0.079	3	106.5077	0.006	3	106.5077	0.006	3	107.5697	0.958	17	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]C)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]C[5]H)(C[6]C[6]H)(COO)	H(C[6]C[6,6a]C[5]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]C)(N[6]C[6]C)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	N[6](C[6]C[6,6a]C[5]H)(C[6]C[6]H)(COO){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6,6a]C[5]N[6])	107.5890	0.889	3	107.5890	0.790	3	107.7930	0.772	5	107.5697	0.958	17	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]H)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]C[5]H)(C[6]C[6]H)(CCO)	H(C[6]C[6,6a]C[5]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]H)(N[6]C[6]C)(H){3|H<1>,6|C<3>}	N[6](C[6]C[6,6a]C[5]H)(C[6]C[6]H)(CCO){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[5]N[6])	107.3250	0.000	1	107.3250	0.000	1	107.7930	0.772	5	107.5697	0.958	17	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]H)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]C[5]H)(C[6]N[6]H)(CCO)	H(C[6]C[6,6a]C[5]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]H)(N[6]C[6]C)(H){1|N<2>,3|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[5]H)(C[6]N[6]H)(CCO){1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6,6a]C[5]N[6])	108.8730	0.000	1	108.8730	0.000	1	107.7930	0.772	5	107.5697	0.958	17	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:B[5]-3:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]B[5]C[6])(H)	N[6](C[6]C[6,6a]C[6]H)(B[5]O[5]2)(C[6]C[6]H)	H(C[6]C[6,6a]C[6]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]B[5]C[6])(H){1|B<3>,2|H<1>,2|O<2>,6|C<3>}	N[6](C[6]C[6,6a]C[6]H)(B[5]O[5]2)(C[6]C[6]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]N[6])	108.7800	0.451	2	108.7800	0.204	2	108.7800	0.204	2	107.5697	0.958	17	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)(CCO)	H(C[6]C[6,6a]C[6]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]C)(H){2|H<1>,7|C<3>}	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)(CCO){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]N[6])	108.6700	0.000	1	108.6700	0.000	1	108.6700	0.000	1	107.5697	0.958	17	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]C)(H){1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	107.7885	0.646	2	107.7885	0.417	2	107.7885	0.417	2	107.5697	0.958	17	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:3:	4:	N[6]-3:C[3]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[3]C[3]2H)(N[6]C[6]N)(H)	N[6](C[6]C[3]N[6]H)(C[6]C[6,6a]O)(NC[6a]H)	H(C[6]C[3]N[6]2)	C[6](N[6]C[6,6a]C)(C[3]C[3]2H)(N[6]C[6]N)(H){1|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[3]N[6]H)(C[6]C[6,6a]O)(NC[6a]H){1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[3]N[6]2)	107.9270	0.000	1	107.9270	0.000	1	107.9270	0.000	1	107.5697	0.958	17	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:3:	4:	N[6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]2)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(C[6a]C[6a]2)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(C[6a]C[6a]2){2|H<1>,3|C<4>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	105.8100	0.000	1	105.8100	0.000	1	106.8210	0.964	3	107.5697	0.958	17	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:3:	4:	N[6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(C[6a]C[6a]2)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(C[6a]C[6a]2){1|C<4>,4|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	106.8820	0.000	1	106.8820	0.000	1	106.8210	0.964	3	107.5697	0.958	17	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:3:	4:	N[6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(C[6a]C[6a]2)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(C[6a]C[6a]2){2|C<4>,4|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.7710	0.000	1	107.7710	0.000	1	106.8210	0.964	3	107.5697	0.958	17	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:4:	4:	C[5]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5]C[5,6a]C[5])(C[6]C[6]FH)(N[6]C[6]C)(H)	N[6](C[6]C[5]C[6]H)(C[6]N[6]O)(CH3)	H(C[6]C[5]C[6]N[6])	C[6](C[5]C[5,6a]C[5])(C[6]C[6]FH)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	N[6](C[6]C[5]C[6]H)(C[6]N[6]O)(CH3){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	H(C[6]C[5]C[6]N[6])	107.3790	0.000	1	107.3790	0.000	1	107.6445	0.141	2	107.2729	0.358	36	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:4:	4:	C[5]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5]C[5,6a]C[5])(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[5]C[6]H)(C[6]N[6]O)(CH3)	H(C[6]C[5]C[6]N[6])	C[6](C[5]C[5,6a]C[5])(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	N[6](C[6]C[5]C[6]H)(C[6]N[6]O)(CH3){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5]C[6]N[6])	107.9100	0.000	1	107.9100	0.000	1	107.6445	0.141	2	107.2729	0.358	36	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:4:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]N[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(CC[6a]HH)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a,6a]C[5a])(C[6]N[6]HH)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[5a]C[6]N[6])	107.4570	0.000	1	107.4570	0.000	1	107.8688	0.207	4	107.2729	0.358	36	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:4:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6,6a]CH)(N[6]C[6]C)(H)	N[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]O)(CCHH)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]O[5a])(C[6]C[6,6a]CH)(N[6]C[6]C)(H){1|H<1>,1|O<1>,4|C<3>}	N[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]O)(CCHH){1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[5a]C[6]N[6])	108.2585	0.110	2	108.2585	0.012	2	107.8688	0.207	4	107.2729	0.358	36	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:4:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5a]C[5a]S[5a])(C[6]C[6,6a]CH)(N[6]C[6]C)(H)	N[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]O)(CCHH)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]S[5a])(C[6]C[6,6a]CH)(N[6]C[6]C)(H){1|H<1>,1|O<1>,4|C<3>}	N[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]O)(CCHH){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	H(C[6]C[5a]C[6]N[6])	107.5010	0.000	1	107.5010	0.000	1	107.8688	0.207	4	107.2729	0.358	36	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:4:	4:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]O)(N[6]C[6a]C[6])(H)	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]C[5]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]O)(N[6]C[6a]C[6])(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|O<2>,4|H<1>,6|C<3>}	H(C[6]C[6,6a]C[5]N[6])	106.1600	0.000	1	106.1600	0.000	1	106.4665	0.188	2	107.2729	0.358	36	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:4:	4:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]C)(N[6]C[6a]C[6])(H)	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]C[5]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]C)(N[6]C[6a]C[6])(H){1|C<4>,1|N<2>,1|O<1>,3|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	H(C[6]C[6,6a]C[5]N[6])	106.7730	0.000	1	106.7730	0.000	1	106.4665	0.188	2	107.2729	0.358	36	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:4:	4:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(CCHH)	H(C[6]C[6,6a]C[6]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,5|C<3>}	N[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(CCHH){1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6,6a]C[6]N[6])	107.1200	0.509	2	107.1200	0.259	2	107.1200	0.259	2	107.2729	0.358	36	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:4:	4:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6a]C[6])(H)	N[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6a]C[6])(H){2|C<4>,3|H<1>,7|C<3>}	N[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,5|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]N[6])	107.5960	0.000	1	107.5960	0.000	1	107.5960	0.000	1	107.2729	0.358	36	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:4:	4:	C[6]-3:C[5]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6a]N[6])(C[5]C[5]2Mn)(N[6]C[6]C)(H)	N[6](C[6]C[5]C[6]H)(C[6]C[6a]N[6])(CCHH)	H(C[6]C[5]C[6]N[6])	C[6](C[6]C[6a]N[6])(C[5]C[5]2Mn)(N[6]C[6]C)(H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[5]C[6]H)(C[6]C[6a]N[6])(CCHH){1|Mn<8>,1|N<2>,2|C<4>,3|C<3>}	H(C[6]C[5]C[6]N[6])	108.7460	0.000	1	108.7460	0.000	1	108.7460	0.000	1	107.2729	0.358	36	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC3)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	106.9490	0.000	1	106.9490	0.000	1	107.0781	0.199	19	107.2729	0.358	36	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCCH)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCCH){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	106.9380	0.000	1	106.9380	0.000	1	107.0781	0.199	19	107.2729	0.358	36	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCHH)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCHH){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.0535	0.028	2	107.0535	0.001	2	107.0781	0.199	19	107.2729	0.358	36	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CH3)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(N[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CH3){1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.0270	0.199	2	107.0270	0.040	2	107.0781	0.199	19	107.2729	0.358	36	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC3)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.1050	0.457	2	107.1050	0.209	2	107.0781	0.199	19	107.2729	0.358	36	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]CH)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.5100	0.000	1	107.2337	0.058	3	107.0781	0.199	19	107.2729	0.358	36	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]CH)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|Si<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.1250	0.000	1	107.2337	0.058	3	107.0781	0.199	19	107.2729	0.358	36	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]CH)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]CH){2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.0660	0.000	1	107.2337	0.058	3	107.0781	0.199	19	107.2729	0.358	36	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){2|H<1>,2|O<1>,3|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3){2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	106.8290	0.000	1	106.8290	0.000	1	107.0781	0.199	19	107.2729	0.358	36	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	105.9070	0.000	1	106.6207	0.513	3	107.0781	0.199	19	107.2729	0.358	36	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.3390	0.000	1	106.6207	0.513	3	107.0781	0.199	19	107.2729	0.358	36	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]C)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	106.6160	0.000	1	106.6207	0.513	3	107.0781	0.199	19	107.2729	0.358	36	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCHH)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCHH){1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.9100	0.000	1	107.9100	0.000	1	107.0781	0.199	19	107.2729	0.358	36	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<4>,2|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3){1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.8890	0.000	1	107.8890	0.000	1	107.0781	0.199	19	107.2729	0.358	36	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]CH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CCHH)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]CH)(N[6]C[6]C)(H){1|H<1>,1|O<1>,4|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CCHH){1|H<1>,1|N<2>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.0170	0.150	2	107.0170	0.022	2	107.0781	0.199	19	107.2729	0.358	36	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(SC[6a]OO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(SC[6a]OO){3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.5510	0.000	1	107.5510	0.000	1	107.7650	0.092	2	107.2729	0.358	36	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(SC[6a]OO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]S)(H){3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(SC[6a]OO){1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.9790	0.000	1	107.9790	0.000	1	107.7650	0.092	2	107.2729	0.358	36	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:4:	4:	N[6]-3:C[6]-4:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(COO)(H)	N[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(COO)(H){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH){1|C<4>,4|C<3>,6|H<1>}	H(C[6]C[6]N[6]C)	107.9550	0.000	1	107.9550	0.000	1	107.9550	0.000	1	107.2729	0.358	36	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:4:	4:	N[6]-3:C[6]-4:C[6]-3:H-1:	Si[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]Si[6])(C[6]C[6]N[6]H)(C[6]C[6]H)(H)	N[6](Si[6]N[6]ClH)(C[6a]C[6a]2)(C[6]C[6]2H)	H(C[6]C[6]2N[6])	C[6](N[6]C[6a]Si[6])(C[6]C[6]N[6]H)(C[6]C[6]H)(H){1|Cl<1>,1|Si<4>,1|N<3>,3|H<1>,4|C<3>}	N[6](Si[6]N[6]ClH)(C[6a]C[6a]2)(C[6]C[6]2H){1|N<3>,2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6]2N[6])	107.0860	0.000	1	107.0860	0.000	1	107.0860	0.000	1	107.2729	0.358	36	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:3:4:	4:	N[6]-3:P-4:C[6]-3:H-1:	C[6]-4:C[6]-3:Si-4:	C[6]-4:	C[6](N[6]C[6]Si)(PC[6a]2Fe)(C[6]C[6]H)(H)	N[6](C[6]C[6]HP)(C[6]C[6]H)(SiFeCC)	H(C[6]C[6]N[6]P)	C[6](N[6]C[6]Si)(PC[6a]2Fe)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]HP)(C[6]C[6]H)(SiFeCC){1|C<3>,2|H<1>}	H(C[6]C[6]N[6]P)	106.4900	0.000	1	106.4900	0.000	1	106.4900	0.000	1	107.2729	0.358	36	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CH)(N[6]C[6]H)(H)	N[6](C[6]C[5a]C[6]H)2(H)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CH)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	N[6](C[6]C[5a]C[6]H)2(H){1|C<4>,2|S<2>,3|C<3>,3|H<1>}	H(C[6]C[5a]C[6]N[6])	108.6720	0.000	1	108.6720	0.000	1	108.6940	0.001	2	107.8250	0.673	5	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6]C[5a]C[6]H)2(H)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	N[6](C[6]C[5a]C[6]H)2(H){1|C<4>,2|S<2>,3|C<3>,3|H<1>}	H(C[6]C[5a]C[6]N[6])	108.7160	0.000	1	108.7160	0.000	1	108.6940	0.001	2	107.8250	0.673	5	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H){2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	106.9530	0.000	1	106.9530	0.000	1	107.2475	0.173	2	107.8250	0.673	5	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)2(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,3|C<3>,5|H<1>}	N[6](C[6]C[6a]C[6]H)2(H){2|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.5420	0.000	1	107.5420	0.000	1	107.2475	0.173	2	107.8250	0.673	5	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:S[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]S[6]H)(H)	N[6](C[6]C[6a]C[6]H)(S[6]O[6]OO)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]S[6]H)(H){1|O<2>,2|C<3>,2|O<1>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(S[6]O[6]OO)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	107.2420	0.000	1	107.2420	0.000	1	107.2420	0.000	1	107.8250	0.673	5	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:2:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C-4:N[6]-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(H)	N[6](C[6]C[6a]C[6]H)(CC[6a]HH)(N[6]N[6])	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(H){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	N[6](C[6]C[6a]C[6]H)(CC[6a]HH)(N[6]N[6]){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	107.2190	0.000	1	107.2190	0.000	1	107.2190	0.000	1	107.0676	0.469	11	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:2:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]N)(H)	N[6](C[6]C[6a]C[6]H)2(NO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]N)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(NO){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	106.3080	0.000	1	106.3080	0.000	1	107.0525	0.518	10	107.0676	0.469	11	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:2:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H)	N[6](C[6]C[6a]C[6]H)2(NO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(NO){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	106.1810	0.000	1	106.8860	0.580	6	107.0525	0.518	10	107.0676	0.469	11	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:2:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H)	N[6](C[6]C[6a]C[6]H)2(NO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(NO){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.1785	0.730	2	106.8860	0.580	6	107.0525	0.518	10	107.0676	0.469	11	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:2:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H)	N[6](C[6]C[6a]C[6]H)2(NO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(NO){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	106.5060	0.000	1	106.8860	0.580	6	107.0525	0.518	10	107.0676	0.469	11	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:2:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H)	N[6](C[6]C[6a]C[6]H)2(NO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H){1|Cl<1>,1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6]H)2(NO){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.1360	1.195	2	106.8860	0.580	6	107.0525	0.518	10	107.0676	0.469	11	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:2:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]N)(H)	N[6](C[6]C[6a]C[6]H)2(NO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]N)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(NO){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.7580	0.000	1	107.6337	0.014	3	107.0525	0.518	10	107.0676	0.469	11	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:2:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]N)(H)	N[6](C[6]C[6a]C[6]H)2(NO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]N)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(NO){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.6250	0.000	1	107.6337	0.014	3	107.0525	0.518	10	107.0676	0.469	11	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:2:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]N)(H)	N[6](C[6]C[6a]C[6]H)2(NO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]N)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(NO){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.5180	0.000	1	107.6337	0.014	3	107.0525	0.518	10	107.0676	0.469	11	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]C)(H)	N[6](C[6]C[5a]C[6]H)2(CCO)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[6](C[6]C[5a]C[6]H)2(CCO){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	H(C[6]C[5a]C[6]N[6])	107.2300	0.000	1	107.2357	0.173	3	107.2913	0.086	6	106.9290	0.920	136	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]C)(H)	N[6](C[6]C[5a]C[6]H)2(CCO)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[6](C[6]C[5a]C[6]H)2(CCO){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[6]C[5a]C[6]N[6])	107.2385	0.588	2	107.2357	0.173	3	107.2913	0.086	6	106.9290	0.920	136	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]C)(H)	N[6](C[6]C[5a]C[6]H)2(CC[6a]O)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[6](C[6]C[5a]C[6]H)2(CC[6a]O){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	H(C[6]C[5a]C[6]N[6])	107.1740	0.000	1	107.1740	0.000	1	107.2913	0.086	6	106.9290	0.920	136	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[5a]C[6]H)2(CCO)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[6](C[6]C[5a]C[6]H)2(CCO){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	H(C[6]C[5a]C[6]N[6])	107.3300	0.000	1	107.3300	0.000	1	107.2913	0.086	6	106.9290	0.920	136	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[5a]C[6]H)2(CC[6a]O)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[6](C[6]C[5a]C[6]H)2(CC[6a]O){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	H(C[6]C[5a]C[6]N[6])	107.5370	0.000	1	107.5370	0.000	1	107.2913	0.086	6	106.9290	0.920	136	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CCO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(CCO){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	105.7593	0.218	7	105.6511	0.134	8	106.9045	0.922	126	106.9290	0.920	136	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CCO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	N[6](C[6]C[6a]C[6]H)2(CCO){2|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	104.8940	0.000	1	105.6511	0.134	8	106.9045	0.922	126	106.9290	0.920	136	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CC[6a]O)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(CC[6a]O){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	105.6620	0.000	1	105.6620	0.000	1	106.9045	0.922	126	106.9290	0.920	136	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CHO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(CHO){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	105.6910	0.201	2	105.6910	0.040	2	106.9045	0.922	126	106.9290	0.920	136	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CNO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(CNO){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	105.5770	0.000	1	105.5770	0.000	1	106.9045	0.922	126	106.9290	0.920	136	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[6a]O)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[6a]O){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	106.2250	0.000	1	106.2250	0.000	1	106.9045	0.922	126	106.9290	0.920	136	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]O)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,2|C<3>,6|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]O){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	106.6970	0.000	1	106.3750	0.207	2	106.9045	0.922	126	106.9290	0.920	136	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]O)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){2|C<3>,2|C<4>,5|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]O){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	106.0530	0.000	1	106.3750	0.207	2	106.9045	0.922	126	106.9290	0.920	136	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CCO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(CCO){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	103.5670	0.000	1	106.7375	1.274	36	106.9045	0.922	126	106.9290	0.920	136	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CCO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6]H)2(CCO){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	106.7965	1.942	2	106.7375	1.274	36	106.9045	0.922	126	106.9290	0.920	136	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CCO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(CCO){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.0945	0.729	14	106.7375	1.274	36	106.9045	0.922	126	106.9290	0.920	136	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CCO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(CCO){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	106.8312	1.018	14	106.7375	1.274	36	106.9045	0.922	126	106.9290	0.920	136	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CCO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	N[6](C[6]C[6a]C[6]H)2(CCO){2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	105.2803	0.140	3	106.7375	1.274	36	106.9045	0.922	126	106.9290	0.920	136	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CCO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|Cl<1>,1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6]H)2(CCO){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.2950	1.194	2	106.7375	1.274	36	106.9045	0.922	126	106.9290	0.920	136	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CC[3]O)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(CC[3]O){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.3570	0.023	2	107.3570	0.001	2	106.9045	0.922	126	106.9290	0.920	136	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CC[6a]O)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(CC[6a]O){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.5720	0.000	1	107.5720	0.000	1	106.9045	0.922	126	106.9290	0.920	136	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CHO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(CHO){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.6017	0.540	3	107.2522	0.431	5	106.9045	0.922	126	106.9290	0.920	136	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CHO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(CHO){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	106.7280	0.477	2	107.2522	0.431	5	106.9045	0.922	126	106.9290	0.920	136	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(COO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	N[6](C[6]C[6a]C[6]H)2(COO){2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.3220	0.000	1	108.3220	0.000	1	106.9045	0.922	126	106.9290	0.920	136	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CC[6a]O)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,2|C<3>,6|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CC[6a]O){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	106.7050	0.000	1	106.7050	0.000	1	106.9045	0.922	126	106.9290	0.920	136	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CCO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CCO){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	106.2420	0.000	1	106.2420	0.000	1	106.9045	0.922	126	106.9290	0.920	136	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO){3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	106.1280	0.000	1	108.0913	2.891	3	106.9045	0.922	126	106.9290	0.920	136	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	109.0730	0.014	2	108.0913	2.891	3	106.9045	0.922	126	106.9290	0.920	136	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|F<1>,2|C<3>,5|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.1015	0.610	2	107.0682	0.379	5	106.9045	0.922	126	106.9290	0.920	136	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|F<1>,2|C<3>,5|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	106.6140	0.137	2	107.0682	0.379	5	106.9045	0.922	126	106.9290	0.920	136	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<3>,2|C<4>,5|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.9100	0.000	1	107.0682	0.379	5	106.9045	0.922	126	106.9290	0.920	136	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CCC)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]H)2(CCC){2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	107.8160	0.000	1	107.8160	0.000	1	106.9045	0.922	126	106.9290	0.920	136	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CCO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(CCO){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	106.7530	0.000	1	107.1968	0.539	36	106.9045	0.922	126	106.9290	0.920	136	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CCO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(CCO){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	106.9603	0.871	14	107.1968	0.539	36	106.9045	0.922	126	106.9290	0.920	136	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CCO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(CCO){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.8719	0.227	7	107.1968	0.539	36	106.9045	0.922	126	106.9290	0.920	136	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CCO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(CCO){4|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.3740	1.048	4	107.1968	0.539	36	106.9045	0.922	126	106.9290	0.920	136	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CCO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	N[6](C[6]C[6a]C[6]H)2(CCO){2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.0983	0.530	3	107.1968	0.539	36	106.9045	0.922	126	106.9290	0.920	136	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CCO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	N[6](C[6]C[6a]C[6]H)2(CCO){2|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	106.7320	0.000	1	107.1968	0.539	36	106.9045	0.922	126	106.9290	0.920	136	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CCO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<2>,3|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]H)2(CCO){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.1180	0.000	1	107.1968	0.539	36	106.9045	0.922	126	106.9290	0.920	136	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CCO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<2>,3|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]H)2(CCO){2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	107.0284	0.201	5	107.1968	0.539	36	106.9045	0.922	126	106.9290	0.920	136	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CC[3]O)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(CC[3]O){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	106.1660	0.007	2	106.1660	0.000	2	106.9045	0.922	126	106.9290	0.920	136	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CC[6a]O)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(CC[6a]O){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	106.0370	0.000	1	106.9458	0.700	4	106.9045	0.922	126	106.9290	0.920	136	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CC[6a]O)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(CC[6a]O){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	108.0250	0.000	1	106.9458	0.700	4	106.9045	0.922	126	106.9290	0.920	136	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CC[6a]O)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<2>,3|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]H)2(CC[6a]O){2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	106.8605	0.309	2	106.9458	0.700	4	106.9045	0.922	126	106.9290	0.920	136	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CHO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(CHO){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.1377	0.621	3	107.4284	0.352	5	106.9045	0.922	126	106.9290	0.920	136	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CHO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(CHO){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.8645	0.047	2	107.4284	0.352	5	106.9045	0.922	126	106.9290	0.920	136	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CNO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(CNO){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.4550	0.000	1	107.4550	0.000	1	106.9045	0.922	126	106.9290	0.920	136	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(COO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(COO){4|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	106.9390	0.375	2	106.6410	0.337	3	106.9045	0.922	126	106.9290	0.920	136	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(COO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	N[6](C[6]C[6a]C[6]H)2(COO){2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	106.0450	0.000	1	106.6410	0.337	3	106.9045	0.922	126	106.9290	0.920	136	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]O)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]C)(H){1|C<4>,2|C<3>,2|F<1>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.0540	0.000	1	107.0540	0.000	1	106.9045	0.922	126	106.9290	0.920	136	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]C)(H){1|C<4>,2|C<3>,6|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.2630	0.000	1	107.2630	0.000	1	106.9045	0.922	126	106.9290	0.920	136	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CCO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CCO){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	107.4840	0.000	1	107.4840	0.000	1	106.9045	0.922	126	106.9290	0.920	136	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H){3|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCO){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	107.8460	0.000	1	107.8460	0.000	1	106.9045	0.922	126	106.9290	0.920	136	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:S-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)2(SC[6a]O)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|O<2>,3|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]H)2(SC[6a]O){2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	106.4740	0.000	1	106.4740	0.000	1	106.4740	0.000	1	106.9290	0.920	136	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	N[6]-3:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(COO)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(COO)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(COO)(H){2|C<4>,3|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(COO){3|C<4>,5|H<1>}	H(C[6]C[6]N[6]C)	106.3170	0.006	2	106.3170	0.000	2	106.3170	0.000	2	106.9290	0.920	136	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	N[6]-3:C[6]-4:N-3:H-1:	C[5]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(NCH)(H)	N[6](C[5]C[5,5]O[5]H)(C[6]C[6]HN)(C[6]N[6]O)	H(C[6]C[6]N[6]N)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(NCH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	N[6](C[5]C[5,5]O[5]H)(C[6]C[6]HN)(C[6]N[6]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]N)	109.5210	0.000	1	109.5210	0.000	1	109.5210	0.000	1	106.9290	0.920	136	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO){2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.1750	0.000	1	107.0455	0.034	2	107.1163	0.168	8	107.1163	0.168	8	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){2|C<3>,2|C<4>,5|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	106.9160	0.000	1	107.0455	0.034	2	107.1163	0.168	8	107.1163	0.168	8	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.6550	0.000	1	107.3160	0.049	5	107.1163	0.168	8	107.1163	0.168	8	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,1|F<1>,2|C<3>,5|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.1560	0.000	1	107.3160	0.049	5	107.1163	0.168	8	107.1163	0.168	8	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,2|C<3>,6|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.3760	0.000	1	107.3160	0.049	5	107.1163	0.168	8	107.1163	0.168	8	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,2|C<3>,6|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6a]C[6]N[6])	107.3090	0.000	1	107.3160	0.049	5	107.1163	0.168	8	107.1163	0.168	8	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.0840	0.000	1	107.3160	0.049	5	107.1163	0.168	8	107.1163	0.168	8	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]S)(H){2|C<3>,2|C<4>,5|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	106.2590	0.000	1	106.2590	0.000	1	107.1163	0.168	8	107.1163	0.168	8	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:4:1:	3:3:4:	4:	N[6]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]C[6])(C[6]C[6]HH)2(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(C[6]C[6]2H)	H(C[6]C[6]2N[6])	C[6](N[6]C[6,6a]C[6])(C[6]C[6]HH)2(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(C[6]C[6]2H){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6]2N[6])	106.3400	0.000	1	106.3400	0.000	1	106.3400	0.000	1	106.3400	0.000	1	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:4:1:	3:4:1:	4:	N[6]-3:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[5]C[5]2Fe)(C[6]C[6]CH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(H)	H(C[6]C[5]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[5]C[5]2Fe)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(H){1|Fe<10>,2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[5]C[6]N[6])	109.3660	0.000	1	109.3660	0.000	1	109.3660	0.000	1	108.9491	0.427	14	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:4:1:	3:4:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CC[6a]2H)(H)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CC[6a]2H)(H){1|N<2>,1|N<3>,2|H<1>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]CH)(H){2|H<1>,3|C<4>}	H(C[6]C[6]N[6]C)	110.7160	0.000	1	109.7855	1.732	2	108.8311	0.852	7	108.9491	0.427	14	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:4:1:	3:4:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CC[6a]2H)(H)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CC[6a]2H)(H){2|H<1>,2|N<3>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]CH)(H){3|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	108.8550	0.000	1	109.7855	1.732	2	108.8311	0.852	7	108.9491	0.427	14	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:4:1:	3:4:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CH3)(H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	108.3500	0.000	1	108.3500	0.000	1	108.8311	0.852	7	108.9491	0.427	14	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:4:1:	3:4:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CHHS)(H)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CHHS)(H){2|H<1>,2|N<3>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]CH)(H){3|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	108.4742	0.522	4	108.4742	0.273	4	108.8311	0.852	7	108.9491	0.427	14	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:4:1:	3:4:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	108.7550	0.000	1	108.9547	0.036	3	108.9694	0.018	5	108.9491	0.427	14	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:4:1:	3:4:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	108.9770	0.000	1	108.9547	0.036	3	108.9694	0.018	5	108.9491	0.427	14	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:4:1:	3:4:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	109.1320	0.000	1	108.9547	0.036	3	108.9694	0.018	5	108.9491	0.427	14	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:4:1:	3:4:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(CCHH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(CCHH)(H){1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	109.0020	0.000	1	109.0020	0.000	1	108.9694	0.018	5	108.9491	0.427	14	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:4:1:	3:4:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(CSiHH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(CSiHH)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	108.9810	0.000	1	108.9810	0.000	1	108.9694	0.018	5	108.9491	0.427	14	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:4:1:	3:4:1:	4:	N[6]-3:C[6]-4:P-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(PC[6a]2O)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HP)(H)	H(C[6]C[6]N[6]P)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(PC[6a]2O)(H){1|H<1>,1|P<4>,2|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HP)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]P)	109.2560	0.000	1	109.2560	0.000	1	109.2560	0.000	1	108.9491	0.427	14	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:4:1:	3:4:2:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6]-4:	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(CC[6a]HH)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6])	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(CC[6a]HH)(H){2|C<4>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]C)	107.4440	0.000	1	107.4440	0.000	1	107.4440	0.000	1	107.4357	0.003	3	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:4:1:	3:4:2:	4:	N[6]-3:C[6]-4:C[6]-4:H-1:	B[6]-3:C[6]-4:C[6]-2:	C[6]-4:	C[6](N[6]B[6]C[6])(C[6]C[6]HH)2(H)	N[6](B[6]C[6a]N[6])(C[6]C[6]2H)(C[6]N[6])	H(C[6]C[6]2N[6])	C[6](N[6]B[6]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,2|N<3>,4|H<1>}	N[6](B[6]C[6a]N[6])(C[6]C[6]2H)(C[6]N[6]){1|B<3>,3|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2N[6])	107.4315	0.074	2	107.4315	0.006	2	107.4315	0.006	2	107.4357	0.003	3	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:4:1:	3:4:3:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CCCH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]O)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CCCH)(H){2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]O){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	106.9200	0.000	1	106.9200	0.000	1	108.1590	0.321	12	107.6857	1.121	21	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:4:1:	3:4:3:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CH3)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[5]O)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[5]O){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	107.9300	0.047	2	107.9300	0.002	2	108.1590	0.321	12	107.6857	1.121	21	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:4:1:	3:4:3:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CH3)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHO)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHO){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	107.9160	0.112	4	107.9160	0.012	4	108.1590	0.321	12	107.6857	1.121	21	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:4:1:	3:4:3:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CH3)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHS)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHS){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	108.6955	0.252	4	108.6955	0.063	4	108.1590	0.321	12	107.6857	1.121	21	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:4:1:	3:4:3:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]O[6]HH)(CC[6a]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCO)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]C)(C[6]O[6]HH)(CC[6a]HH)(H){2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCO){1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	108.6820	0.000	1	108.6820	0.000	1	108.1590	0.321	12	107.6857	1.121	21	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:4:1:	3:4:3:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:P-3:	C[6]-4:	C[6](N[6]C[6,6a]P)(C[6]C[6]HH)(CH3)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(POO)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]P)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(POO){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	107.9770	0.000	1	107.9770	0.000	1	107.9770	0.000	1	107.6857	1.121	21	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:4:1:	3:4:3:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:B[6]-3:	C[6]-4:	C[6](N[6]C[6a]B[6])(C[6]C[6]CC)(CH3)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(B[6]N[6]H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]B[6])(C[6]C[6]CC)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(B[6]N[6]H){3|C<3>,5|C<4>}	H(C[6]C[6]N[6]C)	107.0495	0.050	2	107.0495	0.003	2	107.0495	0.003	2	107.6857	1.121	21	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:4:1:	3:4:3:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(CC[6]HH)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]O)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(CC[6]HH)(H){1|N<3>,2|C<3>,2|O<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]O){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]N[6]C)	107.9165	0.064	2	107.9165	0.004	2	107.0460	2.673	4	107.6857	1.121	21	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:4:1:	3:4:3:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CBHH)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CBHH)(H){1|N<3>,2|C<3>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]H){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6]N[6]C)	104.5970	0.000	1	104.5970	0.000	1	107.0460	2.673	4	107.6857	1.121	21	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:4:1:	3:4:3:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(CCHH)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(CCHH)(H){2|H<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	107.7540	0.000	1	107.7540	0.000	1	107.0460	2.673	4	107.6857	1.121	21	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:4:1:	3:4:3:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-3:	C[6]-4:	C[6](N[6]C[6a]N[6])(C[6]C[6]HO)(CH3)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]N[6])(C[6]C[6]HO)(CH3)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	107.9100	0.000	1	107.9100	0.000	1	107.9100	0.000	1	107.6857	1.121	21	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:4:1:	3:4:3:	4:	N[6]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6,6a]C[6])(C[6]C[6]HH)2(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]O)	H(C[6]C[6]2N[6])	C[6](N[6]C[6,6a]C[6])(C[6]C[6]HH)2(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6]2N[6])	105.3210	0.000	1	105.3210	0.000	1	105.3210	0.000	1	107.6857	1.121	21	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:4:1:	3:4:4:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[5,6]-3:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(CH3)(H)	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(CH3)(H){2|C<3>,2|H<1>}	N[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(SC[6a]OO){1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]C)	104.0210	0.000	1	104.0210	0.000	1	104.0210	0.000	1	107.9297	1.151	21	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:4:1:	3:4:4:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HO)(CH3)(H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CC[6a]CH)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6]C)(C[6]C[6]HO)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(CC[6a]CH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	107.8330	0.008	2	107.8330	0.000	2	107.8330	0.000	2	107.9297	1.151	21	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:4:1:	3:4:4:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CCHH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CCHH)(H){2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	107.1530	0.000	1	107.1530	0.000	1	107.6915	0.580	2	107.9297	1.151	21	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:4:1:	3:4:4:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CH3)(H)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CH)(CH3)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CH)(CH3){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	108.2300	0.000	1	108.2300	0.000	1	107.6915	0.580	2	107.9297	1.151	21	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:4:1:	3:4:4:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]CC)(CCHH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]S)(C[6]C[6]CC)(CCHH)(H){2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6]N[6]C)	108.9250	0.000	1	108.9250	0.000	1	108.0345	0.906	6	107.9297	1.151	21	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:4:1:	3:4:4:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]HN)(CF3)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]S)(C[6]C[6]HN)(CF3)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	107.9580	0.000	1	107.9580	0.000	1	108.0345	0.906	6	107.9297	1.151	21	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:4:1:	3:4:4:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]SiH)(CH3)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]S)(C[6]C[6]SiH)(CH3)(H){2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|Si<3>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	107.9640	0.000	1	107.9640	0.000	1	108.0345	0.906	6	107.9297	1.151	21	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:4:1:	3:4:4:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]O[6]CC)(CCHH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]S)(C[6]O[6]CC)(CCHH)(H){2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6]N[6]C)	109.2150	0.000	1	109.2150	0.000	1	108.0345	0.906	6	107.9297	1.151	21	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:4:1:	3:4:4:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]O[6]HH)(CCCO)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]S)(C[6]O[6]HH)(CCCO)(H){2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	106.5830	0.000	1	106.5830	0.000	1	108.0345	0.906	6	107.9297	1.151	21	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:4:1:	3:4:4:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]S[6]CH)(CCHH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]S)(C[6]S[6]CH)(CCHH)(H){2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	107.5620	0.000	1	107.5620	0.000	1	108.0345	0.906	6	107.9297	1.151	21	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:4:1:	3:4:4:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(CH3)(H)	N[6](C[6a]N[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	N[6](C[6a]N[6a]2)(C[6]C[6]CH)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]C)	107.7690	0.000	1	107.7690	0.000	1	107.7690	0.000	1	107.9297	1.151	21	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:4:1:	3:4:4:	4:	N[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-3:In[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]In[6]C[6])(C[6]C[6]HH)(C[6]C[6]HN)(H)	N[6](C[6]C[6,6a]H)(In[6]O[6]CC)(C[6]C[6]2H)	H(C[6]C[6]2N[6])	C[6](N[6]In[6]C[6])(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	N[6](C[6]C[6,6a]H)(In[6]O[6]CC)(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2N[6])	108.2990	0.219	7	108.2990	0.048	7	108.3864	0.067	9	107.9297	1.151	21	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:4:1:	3:4:4:	4:	N[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-3:In[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]In[6]C[6])(C[6]C[6]HH)2(H)	N[6](C[6]C[6,6a]H)(In[6]O[6]CC)(C[6]C[6]2H)	H(C[6]C[6]2N[6])	C[6](N[6]In[6]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,5|H<1>}	N[6](C[6]C[6,6a]H)(In[6]O[6]CC)(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2N[6])	108.6925	0.090	2	108.6925	0.008	2	108.3864	0.067	9	107.9297	1.151	21	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:4:1:	4:3:2:	4:	N[6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:N[6]-2:	C[6]-4:	C[6](N[6]C[6]N[6])(C[6]C[6]HH)2(H)	N[6](C[6]C[6]2H)(C[6]C[6]O)(N[6]C[6])	H(C[6]C[6]2N[6])	C[6](N[6]C[6]N[6])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]O)(N[6]C[6]){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6]2N[6])	107.7500	0.000	1	107.7500	0.000	1	107.7500	0.000	1	107.7500	0.000	1	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:4:1:	4:3:3:	4:	N[6]-3:C[5]-4:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[5]C[5]2Fe)(C[6]C[6]HH)(H)	N[6](C[6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)	H(C[6]C[5]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[5]C[5]2Fe)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O){1|Fe<10>,3|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5]C[6]N[6])	108.1340	0.548	3	108.1340	0.300	3	108.1340	0.300	3	108.1340	0.300	3	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:4:1:	4:3:4:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]C[6a])(C[6]C[6]HH)(CCHH)(H)	N[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]CH)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6]C[6a])(C[6]C[6]HH)(CCHH)(H){1|H<1>,3|C<3>,3|C<4>}	N[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]CH){1|N<3>,2|C<4>,3|C<3>,8|H<1>}	H(C[6]C[6]N[6]C)	105.7670	0.000	1	105.7670	0.000	1	105.7670	0.000	1	108.1390	4.220	3	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:4:1:	4:3:4:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(CCHH)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH){2|O<2>,3|H<1>,6|C<3>}	H(C[6]C[6]N[6]C)	109.3250	0.000	2	109.3250	0.000	2	109.3250	0.000	2	108.1390	4.220	3	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:4:1:	4:4:3:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[4,6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[4,6,6]C)(C[6]C[3,6]HH)(CCHH)(H)	N[6](C[4,6,6]C[3,4,6]C[4,6,6]C[6])(C[6]C[6]CH)(COO)	H(C[6]C[6]N[6]C)	C[6](N[6]C[4,6,6]C)(C[6]C[3,6]HH)(CCHH)(H){1|O<2>,4|C<4>}	N[6](C[4,6,6]C[3,4,6]C[4,6,6]C[6])(C[6]C[6]CH)(COO){4|C<4>,6|H<1>}	H(C[6]C[6]N[6]C)	107.3100	0.000	1	107.3100	0.000	1	107.2400	0.010	2	106.4926	1.172	15	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:4:1:	4:4:3:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[4,6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[4,6,6]C)(C[6]C[6]HH)(CCHH)(H)	N[6](C[4,6,6]C[4,6,6]C[4,6]C[6])(C[6]C[6]CH)(COO)	H(C[6]C[6]N[6]C)	C[6](N[6]C[4,6,6]C)(C[6]C[6]HH)(CCHH)(H){1|O<1>,3|C<4>}	N[6](C[4,6,6]C[4,6,6]C[4,6]C[6])(C[6]C[6]CH)(COO){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6]N[6]C)	107.1700	0.000	1	107.1700	0.000	1	107.2400	0.010	2	106.4926	1.172	15	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:4:1:	4:4:3:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]CH)(CH3)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6a]O)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6]C)(C[6]C[6]CH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6a]O){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	107.2340	0.000	1	107.2340	0.000	1	106.2725	1.125	4	106.4926	1.172	15	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:4:1:	4:4:3:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(CCCH)(H)	N[6](C[6,6]C[6]3)(C[6]C[6]CH)(COO)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(CCCH)(H){1|O<1>,3|C<4>}	N[6](C[6,6]C[6]3)(C[6]C[6]CH)(COO){1|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6]N[6]C)	104.8040	0.000	1	104.8040	0.000	1	106.2725	1.125	4	106.4926	1.172	15	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:4:1:	4:4:3:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(CCHH)(H)	N[6](C[6,6]C[6]3)(C[6]C[6]CH)(CC[6a]O)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(CCHH)(H){1|N<2>,3|C<4>}	N[6](C[6,6]C[6]3)(C[6]C[6]CH)(CC[6a]O){1|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6]N[6]C)	106.2380	0.000	1	106.2380	0.000	1	106.2725	1.125	4	106.4926	1.172	15	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:4:1:	4:4:3:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HO)(CH3)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6a]O)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6]C)(C[6]C[6]HO)(CH3)(H){2|C<4>,3|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6a]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]C)	106.8140	0.000	1	106.8140	0.000	1	106.2725	1.125	4	106.4926	1.172	15	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:4:1:	4:4:3:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[4]-3:	C[6]-4:	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(CH3)(H)	N[6](C[6]C[6]CH)2(C[4]N[4]2)	H(C[6]C[6]N[6]C)	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(CH3)(H){2|C<4>,2|N<3>,3|H<1>}	N[6](C[6]C[6]CH)2(C[4]N[4]2){1|In<4>,1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]C)	107.5415	0.795	2	107.5415	0.633	2	107.5415	0.633	2	106.4926	1.172	15	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:4:1:	4:4:3:	4:	N[6]-3:C[6]-4:C[6]-4:H-1:	B[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]B[6]C[6])(C[6]C[6]HH)2(H)	N[6](B[6]C[6a]2O[6])(C[6]C[6]2H)(C[6]N[6]O)	H(C[6]C[6]2N[6])	C[6](N[6]B[6]C[6])(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	N[6](B[6]C[6a]2O[6])(C[6]C[6]2H)(C[6]N[6]O){2|C<4>,4|H<1>,6|C<3>}	H(C[6]C[6]2N[6])	104.2430	0.000	1	105.2135	1.884	2	105.2135	1.884	2	106.4926	1.172	15	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:4:1:	4:4:3:	4:	N[6]-3:C[6]-4:C[6]-4:H-1:	B[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]B[6]C[6])(C[6]C[6]HH)2(H)	N[6](B[6]C[6a]2O[6])(C[6]C[6]2H)(C[6]N[6]O)	H(C[6]C[6]2N[6])	C[6](N[6]B[6]C[6])(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	N[6](B[6]C[6a]2O[6])(C[6]C[6]2H)(C[6]N[6]O){3|C<4>,4|H<1>,5|C<3>}	H(C[6]C[6]2N[6])	106.1840	0.000	1	105.2135	1.884	2	105.2135	1.884	2	106.4926	1.172	15	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:4:1:	4:4:3:	4:	N[6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)2(H)	N[6](C[6,6]C[6]2N[6])(C[6]C[6]2H)(C[6]C[6]H)	H(C[6]C[6]2N[6])	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|N<2>,3|C<4>,5|H<1>}	N[6](C[6,6]C[6]2N[6])(C[6]C[6]2H)(C[6]C[6]H){2|C<3>,4|C<4>,8|H<1>}	H(C[6]C[6]2N[6])	107.1330	0.000	1	106.8495	0.237	4	106.8495	0.237	4	106.4926	1.172	15	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:4:1:	4:4:3:	4:	N[6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)2(H)	N[6](C[6,6]C[6]2N[6])(C[6]C[6]2H)(C[6]C[6]H)	H(C[6]C[6]2N[6])	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	N[6](C[6,6]C[6]2N[6])(C[6]C[6]2H)(C[6]C[6]H){2|C<3>,4|C<4>,9|H<1>}	H(C[6]C[6]2N[6])	106.7820	0.000	1	106.8495	0.237	4	106.8495	0.237	4	106.4926	1.172	15	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:4:1:	4:4:3:	4:	N[6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)2(H)	N[6](C[6,6]C[6]2N[6])(C[6]C[6]2H)(C[6]C[6]H)	H(C[6]C[6]2N[6])	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)2(H){1|N<2>,4|C<4>,5|H<1>}	N[6](C[6,6]C[6]2N[6])(C[6]C[6]2H)(C[6]C[6]H){1|Ta<12>,1|N<3>,5|C<4>,8|H<1>}	H(C[6]C[6]2N[6])	106.7415	0.776	2	106.8495	0.237	4	106.8495	0.237	4	106.4926	1.172	15	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	3:4:4:1:	4:4:3:	4:	N[6]-3:C[6]-4:C[6]-4:H-1:	In[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6]In[6]C[6])(C[6]C[6]HH)(C[6]C[6]HN)(H)	N[6](In[6]O[6]CO)(C[6]C[6]2H)(C[6]C[6]C)	H(C[6]C[6]2N[6])	C[6](N[6]In[6]C[6])(C[6]C[6]HH)(C[6]C[6]HN)(H){2|O<2>,4|C<4>,4|H<1>}	N[6](In[6]O[6]CO)(C[6]C[6]2H)(C[6]C[6]C){1|N<2>,3|C<4>,5|H<1>}	H(C[6]C[6]2N[6])	104.9110	0.000	1	104.9110	0.000	1	104.9110	0.000	1	106.4926	1.172	15	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[5a,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6a]C[6])(H)2{1|O<1>,4|C<3>}	N[6](C[6]C[5a,6]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.1890	0.000	1	109.1890	0.000	1	109.4371	0.042	14	109.4371	0.042	14	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|H<1>,4|C<3>}	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4484	0.240	9	109.4484	0.057	9	109.4371	0.042	14	109.4371	0.042	14	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|O<1>,4|C<3>}	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	109.4737	0.085	4	109.4737	0.007	4	109.4371	0.042	14	109.4371	0.042	14	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6,6a]H)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6,6a]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H){1|N<3>,2|C<4>,3|C<3>}	H(C[6]C[5,6]N[6]H)	109.2825	0.008	2	109.2825	0.000	2	109.2825	0.000	2	109.5754	0.391	252	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6,6a]H)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6,6a]H)(H)2{1|N<3>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]N[6]H)	109.3965	0.043	2	109.3965	0.002	2	109.3965	0.002	2	109.5754	0.391	252	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(N[6]C[6,6]H)(H)2	N[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]CH)(N[6]C[6,6]H)(H)2{1|H<1>,3|C<4>}	N[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H){4|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	108.6125	0.016	2	108.6125	0.000	2	108.6125	0.000	2	109.5754	0.391	252	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[4,5,6]O)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[4,6]HH)(N[6]C[6]H)(H)2{1|H<1>,1|O<1>,2|C<4>}	N[6](C[6]C[4,5,6]O)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.7185	0.030	2	109.7185	0.001	2	109.5875	0.393	245	109.5754	0.391	252	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(N[6]C[6]H)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HO)(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]N[6]H)	108.7285	3.453	2	108.7285	11.922	2	109.5875	0.393	245	109.5754	0.391	252	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[5a,6]C)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2{1|C<4>,2|C<3>}	N[6](C[6]C[5a,6]C)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	108.4160	0.265	4	108.4160	0.070	4	109.5875	0.393	245	109.5754	0.391	252	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2	N[6](C[6]N[5a,6]O)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<1>}	N[6](C[6]N[5a,6]O)(C[6]C[6]HH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6610	0.008	2	109.6610	0.000	2	109.5875	0.393	245	109.5754	0.391	252	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(H)2{1|H<1>,1|O<1>,2|C<4>}	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(H){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.2255	0.047	2	109.2255	0.002	2	109.5875	0.393	245	109.5754	0.391	252	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]H)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]H)(H)2{1|O<1>,4|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H){1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.5310	0.037	2	109.5310	0.001	2	109.5875	0.393	245	109.5754	0.391	252	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2{3|C<3>}	N[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	107.2815	0.936	2	107.2815	0.875	2	109.5875	0.393	245	109.5754	0.391	252	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6,6a]N)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2{1|N<3>,2|C<3>}	N[6](C[6]C[6,6a]N)(C[6]C[6]HH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5900	0.000	1	109.5900	0.000	1	109.5875	0.393	245	109.5754	0.391	252	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2{1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	108.8635	0.015	2	108.8635	0.000	2	109.5875	0.393	245	109.5754	0.391	252	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]H)(H)2	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>}	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H){1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	109.4573	0.124	47	109.4573	0.015	47	109.5875	0.393	245	109.5754	0.391	252	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[5,5]N[6])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>}	N[6](C[6]C[5,5]N[6])(C[6]C[6]HH)(H){1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.8492	0.063	4	109.8492	0.004	4	109.5875	0.393	245	109.5754	0.391	252	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[5]N[6])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|C<4>}	N[6](C[6]C[5]N[6])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.8077	0.146	8	109.8077	0.021	8	109.5875	0.393	245	109.5754	0.391	252	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5600	0.054	2	109.6109	0.013	8	109.5875	0.393	245	109.5754	0.391	252	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(H){2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.6278	0.127	6	109.6109	0.013	8	109.5875	0.393	245	109.5754	0.391	252	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>}	N[6](C[6]C[6]N[6])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	108.4201	1.190	7	109.3376	1.165	17	109.5875	0.393	245	109.5754	0.391	252	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>}	N[6](C[6]C[6]N[6])(C[6]C[6]HH)(H){1|Fe<6>,1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]N[6]H)	109.9799	0.119	10	109.3376	1.165	17	109.5875	0.393	245	109.5754	0.391	252	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|N<2>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H){2|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	109.8070	0.024	2	109.8070	0.001	2	109.5875	0.393	245	109.5754	0.391	252	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|N<2>,2|H<1>}	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7220	0.000	1	109.7353	0.021	73	109.5875	0.393	245	109.5754	0.391	252	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>}	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.7215	0.124	62	109.7353	0.021	73	109.5875	0.393	245	109.5754	0.391	252	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>}	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H){1|Co<4>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6210	0.027	2	109.7353	0.021	73	109.5875	0.393	245	109.5754	0.391	252	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>}	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H){1|Zn<4>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6330	0.004	2	109.7353	0.021	73	109.5875	0.393	245	109.5754	0.391	252	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>}	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.9533	0.221	6	109.7353	0.021	73	109.5875	0.393	245	109.5754	0.391	252	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]H)(H)2	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>}	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7728	0.210	63	109.7728	0.044	63	109.5875	0.393	245	109.5754	0.391	252	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]O)(N[6]C[6]H)(H)2	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]O[6]O)(N[6]C[6]H)(H)2{1|N<2>,3|C<3>}	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H){2|O<2>,3|C<3>}	H(C[6]C[6]N[6]H)	109.9135	0.006	2	109.9135	0.000	2	109.5875	0.393	245	109.5754	0.391	252	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6,6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|S<4>}	N[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	107.9355	5.300	2	107.9355	28.088	2	109.5875	0.393	245	109.5754	0.391	252	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6]CO)(N[6]C[6]O)(H)2	N[6](C[6]C[6,6]N)(C[6]C[6]HH)(O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CO)(N[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|H<1>}	N[6](C[6]C[6,6]N)(C[6]C[6]HH)(O){1|O<2>,4|C<4>}	H(C[6]C[6]N[6]H)	109.4990	0.000	1	109.4990	0.000	1	109.4990	0.000	1	109.5754	0.391	252	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:2:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-2:	C[6]-4:	C[6](C[6]C[5a,6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CN)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<1>}	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CN){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	109.3795	0.023	2	109.3795	0.001	2	109.3795	0.001	2	109.5863	0.069	4	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:2:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]O)(H)2	N[6](C[6]N[5a,6]O)(C[6]C[6]HH)(OC)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]O)(H)2{1|N<3>,1|O<1>,3|C<3>}	N[6](C[6]N[5a,6]O)(C[6]C[6]HH)(OC){1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.9260	0.000	1	109.9260	0.000	1	109.7930	0.035	2	109.5863	0.069	4	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:2:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6,6a]CH)(N[6]C[6]O)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(OC)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]CH)(N[6]C[6]O)(H)2{1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(OC){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	109.6600	0.000	1	109.6600	0.000	1	109.7930	0.035	2	109.5863	0.069	4	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:3:	4:	C[4,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[4,6]C[4,6]N[4]H)(N[6]C[6,6a]C)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]HH)(CCO)	H(C[6]C[4,6]N[6]H)	C[6](C[4,6]C[4,6]N[4]H)(N[6]C[6,6a]C)(H)2{1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]HH)(CCO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[4,6]N[6]H)	109.0810	0.000	1	109.0810	0.000	1	109.0810	0.000	1	109.3807	0.518	26	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:3:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]C)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CC[6a]O)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]C)(H)2{2|C<3>,5|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CC[6a]O){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]N[6]H)	107.5015	2.081	2	107.5015	4.331	2	107.5015	4.331	2	109.3807	0.518	26	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6,6a]C)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(CN[6]O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6,6a]C)(H)2{3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(CN[6]O){2|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	109.5585	0.092	4	109.5585	0.008	4	109.6490	0.021	8	109.3807	0.518	26	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6,6a]C)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6,6a]C)(H)2{3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(COO){3|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.7395	0.140	4	109.7395	0.020	4	109.6490	0.021	8	109.3807	0.518	26	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]C)(C[6]C[6]HH)(CCO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{3|C<3>}	N[6](C[6]C[5a,6]C)(C[6]C[6]HH)(CCO){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6580	0.020	2	109.6580	0.000	2	109.5318	0.030	14	109.3807	0.518	26	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CC[6a]O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CC[6a]O){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2860	0.029	4	109.2860	0.001	4	109.5318	0.030	14	109.3807	0.518	26	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6475	0.084	4	109.6475	0.007	4	109.5318	0.030	14	109.3807	0.518	26	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CCC)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{3|C<3>}	N[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CCC){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5285	0.023	2	109.5285	0.001	2	109.5318	0.030	14	109.3807	0.518	26	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCO){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6690	0.013	2	109.6690	0.000	2	109.5318	0.030	14	109.3807	0.518	26	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[5]C[6])(H)2	N[6](C[6]C[6,6a]H)(C[6]C[6]HH)(C[5]C[5]2)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[5]C[6])(H)2{1|H<1>,6|C<3>}	N[6](C[6]C[6,6a]H)(C[6]C[6]HH)(C[5]C[5]2){1|H<1>,2|O<1>,5|C<3>}	H(C[6]C[6]N[6]H)	109.1770	0.000	1	109.1770	0.000	1	109.1770	0.000	1	109.3807	0.518	26	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[4,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6,6a]S)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]HH)(SC[6a]OO)	H(C[6]C[4,6]N[6]H)	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6,6a]S)(H)2{1|C<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[4,6]N[6]H)	109.8887	0.048	3	109.8887	0.002	3	109.5568	0.208	5	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[4,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[4,6]C[4,6]N[4]H)(N[6]C[6,6a]S)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]HH)(SC[6a]OO)	H(C[6]C[4,6]N[6]H)	C[6](C[4,6]C[4,6]N[4]H)(N[6]C[6,6a]S)(H)2{1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]HH)(SC[6a]OO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[4,6]N[6]H)	109.0590	0.020	2	109.0590	0.000	2	109.5568	0.208	5	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(H)2{2|H<1>,2|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]N[6]H)	109.3175	0.047	2	109.3175	0.002	2	109.3036	0.096	5	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]C)(N[6]C[6,6a]C)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]N[5]C)(N[6]C[6,6a]C)(H)2{1|C<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3){1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[5,6]N[6]H)	109.7970	0.000	1	109.7970	0.000	1	109.3036	0.096	5	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6,6a]C)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6,6a]C)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5,6]N[6]H)	109.0430	0.054	2	109.0430	0.003	2	109.3036	0.096	5	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[5,6]C[3,5,6]C[5]C)(N[6]C[6,6a]S)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[3,5,6]C[5]C)(N[6]C[6,6a]S)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[5,6]N[6]H)	110.0155	0.005	2	110.0155	0.000	2	109.6476	0.256	19	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[5,6]N[6]H)	109.8605	0.013	2	109.7892	0.087	13	109.6476	0.256	19	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[5,6]N[6]H)	109.8640	0.209	5	109.7892	0.087	13	109.6476	0.256	19	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2{1|H<1>,1|N<2>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[5,6]N[6]H)	110.1930	0.017	2	109.7892	0.087	13	109.6476	0.256	19	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2{1|H<1>,1|N<2>,1|O<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[5,6]N[6]H)	109.5920	0.010	2	109.7892	0.087	13	109.6476	0.256	19	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2{2|H<1>,2|N<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[5,6]N[6]H)	109.3245	0.008	2	109.7892	0.087	13	109.6476	0.256	19	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6a]S)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6a]S)(H)2{1|C<4>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[5,6]N[6]H)	108.4200	0.044	2	109.0032	0.454	4	109.6476	0.256	19	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6a]S)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6a]S)(H)2{1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[5,6]N[6]H)	109.5865	0.028	2	109.0032	0.454	4	109.6476	0.256	19	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[4,6]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[4,6]S)(H)2	N[6](C[4,6]C[4,6,6]C[4])(C[6]C[6,6]HH)(SC[6a]OO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[4,6]S)(H)2{1|C<3>,2|C<4>,4|H<1>}	N[6](C[4,6]C[4,6,6]C[4])(C[6]C[6,6]HH)(SC[6a]OO){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]N[6]H)	109.1190	0.034	2	109.1190	0.001	2	109.1190	0.001	2	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(N[6]C[6,6a]S)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(N[6]C[6,6a]S)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]N[6]H)	109.2265	0.057	2	109.2265	0.003	2	108.8736	0.054	8	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]S)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]S)(H)2{1|O<2>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]N[6]H)	108.7127	0.081	4	108.7560	0.008	6	108.8736	0.054	8	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]S)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]S)(H)2{1|O<2>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6]N[6]H)	108.8425	0.006	2	108.7560	0.008	6	108.8736	0.054	8	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(H)2{2|C<2>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.4638	0.035	4	109.4638	0.001	4	109.4638	0.001	4	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[3,6]CC)(N[6]C[6,6a]S)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[3,6]CC)(N[6]C[6,6a]S)(H)2{1|N<2>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	109.4600	0.044	2	109.4600	0.002	2	109.3431	0.118	8	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(N[6]C[6,6a]S)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]O)(N[6]C[6,6a]S)(H)2{1|O<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6]N[6]H)	109.6020	0.023	2	109.1985	0.219	4	109.3431	0.118	8	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(N[6]C[6,6a]S)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]O)(N[6]C[6,6a]S)(H)2{5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6]N[6]H)	108.7950	0.062	2	109.1985	0.219	4	109.3431	0.118	8	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]C[6,6a]S)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]O[6]H)(N[6]C[6,6a]S)(H)2{4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.5155	0.026	2	109.5155	0.001	2	109.3431	0.118	8	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[3,6]O)(C[6]C[6]HH)(CC[6a]CH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[3,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[6](C[6]C[3,6]O)(C[6]C[6]HH)(CC[6a]CH){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2545	0.013	2	109.2545	0.000	2	109.0746	0.340	83	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[3,6]HO)(N[6]C[6]C)(H)2	N[6](C[6]C[3,6]O)(C[6]C[6]HH)(CC[6a]CH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[3,6]HO)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[6](C[6]C[3,6]O)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]N[6]H)	109.3297	0.044	4	109.3297	0.002	4	109.0746	0.340	83	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[3x6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.1875	0.009	2	109.1875	0.000	2	109.0746	0.340	83	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|C<4>}	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.1680	0.017	2	108.9130	0.043	6	109.0746	0.340	83	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|C<4>}	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	108.8425	0.073	2	108.9130	0.043	6	109.0746	0.340	83	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|C<3>}	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.7285	0.008	2	108.9130	0.043	6	109.0746	0.340	83	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(CCHH){2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.2990	0.014	2	109.2990	0.000	2	109.0746	0.340	83	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|C<4>}	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.7425	0.012	2	108.7425	0.000	2	109.0746	0.340	83	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]C[6a]2)(N[6]C[6]C)(H)2	N[6](C[6]N[6,6]O)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]C[6a]2)(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,2|N<3>,4|C<3>}	N[6](C[6]N[6,6]O)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.0705	0.042	2	109.0705	0.002	2	109.0746	0.340	83	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,2|C<4>}	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCHH){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.6620	0.027	2	108.6620	0.001	2	109.0746	0.340	83	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	106.9940	0.658	2	108.3810	1.197	8	109.0746	0.340	83	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.8433	0.750	6	108.3810	1.197	8	109.0746	0.340	83	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH){2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.4720	0.034	2	109.4720	0.001	2	109.0746	0.340	83	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	108.9485	0.016	2	108.9485	0.000	2	109.0746	0.340	83	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	108.9680	0.020	2	108.9680	0.000	2	109.0746	0.340	83	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	109.3490	0.014	2	109.3490	0.000	2	109.0746	0.340	83	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]S)(C[6]C[6]HH)(CCCH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]C)(H)2{1|S<1>,4|C<3>}	N[6](C[6]C[6,6a]S)(C[6]C[6]HH)(CCCH){1|C<4>,3|C<3>}	H(C[6]C[6]N[6]H)	108.4400	0.184	2	108.4400	0.034	2	109.0746	0.340	83	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3080	0.030	2	109.3080	0.001	2	109.0746	0.340	83	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.1410	0.048	6	109.1410	0.002	6	109.0746	0.340	83	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.2030	0.008	2	109.2030	0.000	2	109.0746	0.340	83	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CCHH){2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.0160	0.000	1	109.0160	0.000	1	109.0746	0.340	83	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.7435	0.070	2	108.7435	0.005	2	109.0746	0.340	83	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCCH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCCH){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2410	0.018	2	109.2410	0.000	2	109.0746	0.340	83	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]HH){2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.0310	0.198	4	109.0310	0.039	4	109.0746	0.340	83	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CCHH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6070	0.018	2	109.6070	0.000	2	109.0746	0.340	83	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.3495	0.152	6	109.4796	0.022	16	109.0746	0.340	83	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5577	0.076	10	109.4796	0.022	16	109.0746	0.340	83	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[5a,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[5a,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<2>,1|O<1>}	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CCHH){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	107.8610	2.319	2	107.8610	5.379	2	109.0746	0.340	83	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[5a,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]N[5a,6]HH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	108.9575	0.011	2	108.9575	0.000	2	109.0746	0.340	83	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6,6a]HH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5285	0.009	2	109.5285	0.000	2	109.0746	0.340	83	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]N[6])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[6](C[6]C[6,6a]N[6])(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4830	0.043	4	109.5744	0.013	9	109.5750	0.050	47	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]N[6])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[6](C[6]C[6,6a]N[6])(C[6]C[6]HH)2{1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6476	0.095	5	109.5744	0.013	9	109.5750	0.050	47	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4255	0.182	4	109.5032	0.060	12	109.5750	0.050	47	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2{1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.3792	0.090	4	109.5032	0.060	12	109.5750	0.050	47	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.7047	0.309	4	109.5032	0.060	12	109.5750	0.050	47	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]N[5a,6]N[6])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	N[6](C[6]N[5a,6]N[6])(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<2>,1|S<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7077	0.143	7	109.7077	0.020	7	109.5750	0.050	47	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<2>,1|C<4>,1|N<2>,4|H<1>}	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2{1|N<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6678	0.148	4	109.6303	0.030	7	109.5750	0.050	47	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2{1|N<4>,2|C<3>,6|H<1>}	H(C[6]C[6]N[6]H)	109.5803	0.225	3	109.6303	0.030	7	109.5750	0.050	47	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2{1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.6955	0.100	4	109.7246	0.018	8	109.5750	0.050	47	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2{1|O<2>,1|V<7>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.7537	0.174	4	109.7246	0.018	8	109.5750	0.050	47	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]N[6]O[6])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>}	N[6](C[6]N[6]O[6])(C[6]C[6]HH)2{1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.1633	0.151	4	109.1633	0.023	4	109.5750	0.050	47	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[3,6]O)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[3,6]HH)(N[6]C[6]S)(H)2{1|H<1>,1|O<1>,2|C<4>}	N[6](C[6]C[3,6]O)(C[6]C[6]HH)(SC[6a]OO){2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.2680	0.027	2	109.2680	0.001	2	109.5747	0.108	13	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,5,6,6]HH)(N[6]C[6]S)(H)2{1|H<1>,1|O<2>,2|C<3>}	N[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(SC[6a]OO){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6730	0.000	1	109.6730	0.000	1	109.5747	0.108	13	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]C)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6,6]HH)(N[6]C[6]S)(H)2{1|C<3>,3|C<4>}	N[6](C[6]C[5,6]C)(C[6]C[6]HH)(SC[6a]OO){2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	110.2440	0.000	1	110.2440	0.000	1	109.5747	0.108	13	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]C[6a])(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2{1|H<1>,3|C<3>}	N[6](C[6]C[6,6]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.8270	0.011	2	109.8270	0.000	2	109.5747	0.108	13	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]S)(H)2{1|O<1>,4|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(SC[6a]OO){1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.6760	0.158	4	109.6760	0.025	4	109.5747	0.108	13	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3420	0.000	1	109.3420	0.000	1	109.5747	0.108	13	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]S)(H)2{1|N<2>,4|C<3>}	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]N[6]H)	109.1590	0.044	2	109.1590	0.002	2	109.5747	0.108	13	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6a]C[6])(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6a]C[6])(H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,4|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5023	0.051	3	109.5023	0.003	3	109.5023	0.003	3	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	N[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]CC)(N[6]C[6,6a]C)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CH3)	H(C[6]N[6]2H)	C[6](N[6]C[6,6a]CC)(N[6]C[6,6a]C)(H)2{3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CH3){1|H<1>,2|C<4>,3|C<3>}	H(C[6]N[6]2H)	109.7900	0.020	2	109.7900	0.000	2	109.3928	0.211	4	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	N[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]RuC)(N[6]C[6,6a]C)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP)	H(C[6]N[6]2H)	C[6](N[6]C[6,6a]RuC)(N[6]C[6,6a]C)(H)2{3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP){1|Ru<6>,1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[6]2H)	108.9955	0.029	2	108.9955	0.001	2	109.3928	0.211	4	109.3194	0.261	201	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:2:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-2:P-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)(C[6]N[6])(PCC)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6])(PCC){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.6750	0.205	2	108.6750	0.042	2	108.6750	0.042	2	109.0607	0.467	3	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:2:3:	4:	Si[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-2:C-3:	C[6]-4:	C[6](Si[6]O[6]CC)(N[6]N[6]C)(H)2	N[6](C[6]Si[6]HH)(N[6]C[6])(CCC)	H(C[6]Si[6]N[6]H)	C[6](Si[6]O[6]CC)(N[6]N[6]C)(H)2{1|C<3>}	N[6](C[6]Si[6]HH)(N[6]C[6])(CCC){1|C<3>,1|O<2>,2|C<4>}	H(C[6]Si[6]N[6]H)	109.8320	0.000	1	109.8320	0.000	1	109.8320	0.000	1	109.0607	0.467	3	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:2:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-2:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6])(CCCH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6])(CCCH){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7677	0.012	3	109.7677	0.000	3	109.7677	0.000	3	109.5896	0.060	5	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:2:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:P[6]-2:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]P[6]C)(H)2	N[6](C[6]C[6]HH)(P[6]N[6])(CC3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]P[6]C)(H)2{1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)(P[6]N[6])(CC3){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3225	0.042	2	109.3225	0.002	2	109.3225	0.002	2	109.5896	0.060	5	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]H)(H)2	N[6](C[6]C[5,6]HH)(C[6]O[6]O)(H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|O<2>,3|H<1>}	N[6](C[6]C[5,6]HH)(C[6]O[6]O)(H){3|C<4>}	H(C[6]C[5,6]N[6]H)	110.3060	0.007	2	110.2918	0.001	4	109.9284	0.344	8	109.2447	2.010	242	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]H)(H)2	N[6](C[6]C[5,6]HH)(C[6]O[6]O)(H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]H)(H)2{1|O<1>,1|O<2>,2|C<3>,3|H<1>}	N[6](C[6]C[5,6]HH)(C[6]O[6]O)(H){3|C<4>}	H(C[6]C[5,6]N[6]H)	110.2775	0.032	2	110.2918	0.001	4	109.9284	0.344	8	109.2447	2.010	242	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	N[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6]N[6]H)	109.4340	0.129	2	109.4340	0.017	2	109.9284	0.344	8	109.2447	2.010	242	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:1:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]N[5]H)(N[6]C[6]H)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]N[5,6]N[5]H)(N[6]C[6]H)(H)2{1|C<3>,1|O<1>,3|C<4>}	N[6](C[6]C[5,6]HH)(C[6]C[6]O)(H){1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[5,6]N[6]H)	109.6960	1.126	2	109.6960	1.267	2	109.9284	0.344	8	109.2447	2.010	242	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(N[6]C[6]H)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>}	N[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6,6]N[6]H)	108.7260	1.708	2	108.7260	2.919	2	108.6199	0.917	8	109.2447	2.010	242	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(N[6]C[6]H)(H)2	N[6](C[6]C[6,6]HH)(C[6]N[6]N)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]2H)(N[6]C[6]H)(H)2{2|N<3>,5|C<4>}	N[6](C[6]C[6,6]HH)(C[6]N[6]N)(H){2|C<4>,2|H<1>}	H(C[6]C[6,6]N[6]H)	109.4020	0.021	2	109.4020	0.000	2	108.6199	0.917	8	109.2447	2.010	242	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]H)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]H)(H)2{1|O<1>,2|C<4>,4|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H){5|C<4>}	H(C[6]C[6,6]N[6]H)	108.7625	0.035	2	108.7625	0.001	2	108.6199	0.917	8	109.2447	2.010	242	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]H)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6,6]N[6]H)	107.5890	0.298	2	107.5890	0.089	2	108.6199	0.917	8	109.2447	2.010	242	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)(C[6]O[6]O)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	N[6](C[6]C[6]HH)(C[6]O[6]O)(H){1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.9355	0.019	2	109.9355	0.000	2	109.2447	2.121	222	109.2447	2.010	242	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]N)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a]C[6]H)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|W<7>}	N[6](C[6]C[6]HH)(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|W<7>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3710	0.025	2	109.3710	0.001	2	109.2447	2.121	222	109.2447	2.010	242	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)(C[6]O[6]N)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(H)2{1|N<2>,1|O<2>,2|C<4>}	N[6](C[6]C[6]HH)(C[6]O[6]N)(H){1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7455	0.028	2	109.7455	0.001	2	109.2447	2.121	222	109.2447	2.010	242	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)(C[6]S[6]N)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(H)2{1|N<2>,1|S<2>,2|C<4>}	N[6](C[6]C[6]HH)(C[6]S[6]N)(H){1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.2351	1.269	8	108.2351	1.610	8	109.2447	2.121	222	109.2447	2.010	242	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)(C[6]O[6]O)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[6](C[6]C[6]HH)(C[6]O[6]O)(H){1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	109.3800	0.000	1	109.3800	0.000	1	109.2447	2.121	222	109.2447	2.010	242	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]FF)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)(C[6]O[6]O)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]FF)(N[6]C[6]H)(H)2{1|O<1>,1|O<2>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]O[6]O)(H){1|C<4>,2|F<1>}	H(C[6]C[6]N[6]H)	111.7830	2.875	2	111.7830	8.266	2	109.2447	2.121	222	109.2447	2.010	242	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]FH)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|F<1>,3|H<1>}	H(C[6]C[6]N[6]H)	109.0460	0.011	2	109.0460	0.000	2	109.2447	2.121	222	109.2447	2.010	242	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.1635	0.006	2	109.1635	0.000	2	109.2447	2.121	222	109.2447	2.010	242	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	H(C[6]C[6]N[6]H)	106.9186	3.020	10	108.4453	3.670	42	109.2447	2.121	222	109.2447	2.010	242	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	106.3858	1.606	4	108.4453	3.670	42	109.2447	2.121	222	109.2447	2.010	242	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.2812	0.166	24	108.4453	3.670	42	109.2447	2.121	222	109.2447	2.010	242	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3055	0.030	4	108.4453	3.670	42	109.2447	2.121	222	109.2447	2.010	242	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[6](C[6]C[6]HH)(C[6]N[6]C)(H){1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6528	0.071	6	109.3893	2.381	83	109.2447	2.121	222	109.2447	2.010	242	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]C)(H){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.9770	0.230	9	109.3893	2.381	83	109.2447	2.121	222	109.2447	2.010	242	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]C)(H){1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.1468	1.901	15	109.3893	2.381	83	109.2447	2.121	222	109.2447	2.010	242	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]C)(H){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3283	1.638	53	109.3893	2.381	83	109.2447	2.121	222	109.2447	2.010	242	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]H)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|N<3>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]H)(H){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5387	0.448	4	109.5387	0.201	4	109.2447	2.121	222	109.2447	2.010	242	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]N)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{2|H<1>,2|N<2>}	N[6](C[6]C[6]HH)(C[6]N[6]N)(H){1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8310	0.006	2	109.8310	0.000	2	109.2447	2.121	222	109.2447	2.010	242	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]O)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|N<3>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]O)(H){1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6675	0.989	2	109.7775	0.342	4	109.2447	2.121	222	109.2447	2.010	242	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]O)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|N<3>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]O)(H){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8875	0.006	2	109.7775	0.342	4	109.2447	2.121	222	109.2447	2.010	242	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]S)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|N<3>,1|O<1>,1|S<1>}	N[6](C[6]C[6]HH)(C[6]N[6]S)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.9770	0.068	6	109.9154	0.184	32	109.2447	2.121	222	109.2447	2.010	242	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]S)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|N<3>,1|S<2>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]S)(H){1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.9012	0.475	26	109.9154	0.184	32	109.2447	2.121	222	109.2447	2.010	242	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)(C[6]O[6]O)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|O<1>,1|O<2>,2|C<4>}	N[6](C[6]C[6]HH)(C[6]O[6]O)(H){1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	110.1140	0.328	2	110.1140	0.108	2	109.2447	2.121	222	109.2447	2.010	242	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)(C[6]S[6]N)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|N<2>,1|S<2>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]S[6]N)(H){1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.0720	0.025	2	109.0981	0.256	7	109.2447	2.121	222	109.2447	2.010	242	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)(C[6]S[6]N)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|N<3>,1|S<2>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]S[6]N)(H){1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.1086	0.619	5	109.0981	0.256	7	109.2447	2.121	222	109.2447	2.010	242	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HI)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)(C[6]O[6]O)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HI)(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[6](C[6]C[6]HH)(C[6]O[6]O)(H){1|C<4>,1|H<1>,1|I<1>}	H(C[6]C[6]N[6]H)	109.2297	0.114	4	109.2297	0.013	4	109.2447	2.121	222	109.2447	2.010	242	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	107.9630	1.048	2	108.6994	0.729	5	109.2447	2.121	222	109.2447	2.010	242	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	109.1903	0.072	3	108.6994	0.729	5	109.2447	2.121	222	109.2447	2.010	242	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]C)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,4|C<3>}	N[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	109.5485	0.009	2	109.5485	0.000	2	109.2447	2.121	222	109.2447	2.010	242	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.7405	0.025	2	109.6838	0.005	4	109.2447	2.121	222	109.2447	2.010	242	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]H)	109.6270	0.033	2	109.6838	0.005	4	109.2447	2.121	222	109.2447	2.010	242	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]H)	110.6515	0.883	2	108.8578	2.016	10	109.2447	2.121	222	109.2447	2.010	242	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]H)	108.2575	1.531	4	108.8578	2.016	10	109.2447	2.121	222	109.2447	2.010	242	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|O<1>,2|C<4>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2640	0.305	2	108.8578	2.016	10	109.2447	2.121	222	109.2447	2.010	242	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|O<1>,3|C<4>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	107.8585	0.202	2	108.8578	2.016	10	109.2447	2.121	222	109.2447	2.010	242	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]O)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]C)(O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<4>}	N[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]N[6]H)	109.1190	0.021	2	109.1190	0.000	2	109.1265	0.000	4	109.2447	2.010	242	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]O)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]N)(O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]N)(O){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	109.1340	0.016	2	109.1340	0.000	2	109.1265	0.000	4	109.2447	2.010	242	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:2:	4:	C[3,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]C)(N[6]C[6]O)(H)2	N[6](C[6]C[3,6]HH)(C[6]C[6]O)(OC)	H(C[6]C[3,6]N[6]H)	C[6](C[3,6]C[3,6]C[3]C)(N[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[3,6]HH)(C[6]C[6]O)(OC){2|H<1>,3|C<4>}	H(C[6]C[3,6]N[6]H)	109.1835	0.018	2	109.1835	0.000	2	109.1835	0.000	2	109.2680	0.010	4	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:2:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-2:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(NN)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(NN){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3525	0.036	2	109.3525	0.001	2	109.3525	0.001	2	109.2680	0.010	4	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:3:	4:	C[4,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-3:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(N[6]N[6]C)(H)2	N[6](C[6]C[4,6]HH)(N[6]C[6]C)(COO)	H(C[6]C[4,6]N[6]H)	C[6](C[4,6]C[4,6]C[4]H)(N[6]N[6]C)(H)2{1|C<3>,1|H<1>,4|C<4>}	N[6](C[6]C[4,6]HH)(N[6]C[6]C)(COO){2|C<4>,3|H<1>}	H(C[6]C[4,6]N[6]H)	109.4670	0.006	2	109.5145	0.003	4	109.5145	0.003	4	109.4434	2.036	56	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:3:	4:	C[4,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-3:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(N[6]N[6]C)(H)2	N[6](C[6]C[4,6]HH)(N[6]C[6]C)(COO)	H(C[6]C[4,6]N[6]H)	C[6](C[4,6]C[4,6]C[4]H)(N[6]N[6]C)(H)2{1|C<3>,2|H<1>,3|C<4>}	N[6](C[6]C[4,6]HH)(N[6]C[6]C)(COO){2|C<4>,3|H<1>}	H(C[6]C[4,6]N[6]H)	109.5620	0.021	2	109.5145	0.003	4	109.5145	0.003	4	109.4434	2.036	56	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:3:	4:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]O[5,6]Br)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[5,6,6]HH)(C[6]C[5,6,6]O)(C[6a]C[6a]2)	H(C[6]C[5,6,6]N[6]H)	C[6](C[5,6,6]C[5,5,6,6]O[5,6]Br)(N[6]C[6a]C[6])(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	N[6](C[6]C[5,6,6]HH)(C[6]C[5,6,6]O)(C[6a]C[6a]2){1|Br<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6,6]N[6]H)	108.8800	0.021	2	108.8800	0.000	2	108.8912	0.001	4	109.4434	2.036	56	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:3:	4:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]O[5,6]O)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[5,6,6]HH)(C[6]C[5,6,6]O)(C[6a]C[6a]2)	H(C[6]C[5,6,6]N[6]H)	C[6](C[5,6,6]C[5,5,6,6]O[5,6]O)(N[6]C[6a]C[6])(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	N[6](C[6]C[5,6,6]HH)(C[6]C[5,6,6]O)(C[6a]C[6a]2){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[5,6,6]N[6]H)	108.9025	0.033	2	108.9025	0.001	2	108.8912	0.001	4	109.4434	2.036	56	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:3:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]O)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6a]C[6])(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]O){3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]N[6]H)	108.7275	0.011	2	108.7275	0.000	2	108.7275	0.000	2	109.4434	2.036	56	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:3:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(N[6]N[6]C)(H)2	N[6](C[6]C[5,6]HH)(N[6]C[6]H)(CCO)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]N[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[5,6]HH)(N[6]C[6]H)(CCO){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]N[6]H)	107.4595	1.727	2	107.4595	2.984	2	107.4595	2.984	2	109.4434	2.036	56	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:3:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6]O[6]2)(N[6]C[6]C)(H)2{2|O<1>,3|C<4>}	N[6](C[6]C[6,6]HH)(C[6]C[6]O)(CCO){1|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6,6]N[6]H)	108.8123	0.057	3	108.8123	0.003	3	108.8123	0.003	3	109.4434	2.036	56	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:3:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]O)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6]O[6]2)(N[6]C[6a]C[6])(H)2{2|C<3>,2|O<1>,3|C<4>}	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]O){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6,6]N[6]H)	109.9513	0.052	4	109.8123	0.048	6	109.8123	0.048	6	109.4434	2.036	56	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:3:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]O)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6]O[6]2)(N[6]C[6a]C[6])(H)2{2|C<3>,2|O<1>,3|C<4>}	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]O){2|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6,6]N[6]H)	109.5345	0.019	2	109.8123	0.048	6	109.8123	0.048	6	109.4434	2.036	56	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5385	0.009	2	109.5385	0.000	2	109.1487	0.605	24	109.4434	2.036	56	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]C)(COO){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	107.8088	0.843	4	107.8088	0.711	4	109.1487	0.605	24	109.4434	2.036	56	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]N)(CCN)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|H<1>,2|N<3>}	N[6](C[6]C[6]HH)(C[6]N[6]N)(CCN){1|Al<4>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4190	0.062	4	109.4190	0.004	4	109.1487	0.605	24	109.4434	2.036	56	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]N)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|H<1>,2|N<3>}	N[6](C[6]C[6]HH)(C[6]N[6]N)(COO){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4035	0.028	2	109.4035	0.001	2	109.1487	0.605	24	109.4434	2.036	56	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]O)(CC[5a]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]O)(CC[5a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.1225	0.012	2	109.1225	0.000	2	109.1487	0.605	24	109.4434	2.036	56	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]S)(CC[6a]O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,1|S<1>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]S)(CC[6a]O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8440	0.007	2	109.8440	0.000	2	109.1487	0.605	24	109.4434	2.036	56	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]O[6]O)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|O<2>,2|O<1>}	N[6](C[6]C[6]HH)(C[6]O[6]O)(COO){1|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.1840	1.062	2	109.1840	1.128	2	109.1487	0.605	24	109.4434	2.036	56	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]SiH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]SiH)(N[6]C[6]C)(H)2{1|C<3>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]O){1|Si<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	109.3640	0.044	2	109.3640	0.002	2	109.1487	0.605	24	109.4434	2.036	56	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CNO)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CNO){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5745	0.050	2	109.5745	0.003	2	109.1487	0.605	24	109.4434	2.036	56	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]N[6]HO)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]C)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HO)(N[6]C[6]C)(H)2{1|C<4>,2|C<3>}	N[6](C[6]C[6]HH)(C[6]C[6]C)(COO){1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2980	1.123	2	109.2980	1.261	2	109.1487	0.605	24	109.4434	2.036	56	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]H)(C[6]N[6]2)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|H<1>,2|N<2>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(C[6]N[6]2){1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	115.7150	0.110	2	115.7150	0.012	2	115.7150	0.012	2	109.4434	2.036	56	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(NCC)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(NCC){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5085	0.025	2	109.5085	0.001	2	109.5695	0.216	8	109.4434	2.036	56	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(NOO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|C<4>,1|N<2>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]C)(NOO){1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.9275	0.213	4	109.9275	0.045	4	109.5695	0.216	8	109.4434	2.036	56	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)(C[6]S[6]S)(NCH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|S<1>,1|S<2>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]S[6]S)(NCH){1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.9145	0.023	2	108.9145	0.001	2	109.5695	0.216	8	109.4434	2.036	56	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]N[6]C)(H)2	N[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6a]O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]N[6]C)(H)2{1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6a]O){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.9660	0.000	1	109.9660	0.000	1	109.9660	0.000	1	109.4434	2.036	56	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[3,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(N[6]C[6]C)(H)2	N[6](C[6]C[3,6]HH)(C[6]C[6]O)(CC[6a]CH)	H(C[6]C[3,6]N[6]H)	C[6](C[3,6]C[3,6]O[3]H)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[3,6]HH)(C[6]C[6]O)(CC[6a]CH){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[3,6]N[6]H)	108.8830	0.011	2	108.8830	0.000	2	108.8830	0.000	2	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[3,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]C)(N[6]C[6]S)(H)2	N[6](C[6]C[3,6]HH)(C[6]C[6]H)(SC[6a]OO)	H(C[6]C[3,6]N[6]H)	C[6](C[3,6]C[3,6]C[3]C)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[3,6]HH)(C[6]C[6]H)(SC[6a]OO){1|H<1>,3|C<4>}	H(C[6]C[3,6]N[6]H)	108.4895	0.032	2	108.4895	0.001	2	108.8636	0.139	5	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[3,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(N[6]C[6]S)(H)2	N[6](C[6]C[3,6]HH)(C[6]C[6]H)(SC[6a]OO)	H(C[6]C[3,6]N[6]H)	C[6](C[3,6]C[3,6]C[3]H)(N[6]C[6]S)(H)2{2|C<3>,3|H<1>}	N[6](C[6]C[3,6]HH)(C[6]C[6]H)(SC[6a]OO){2|C<4>,2|H<1>}	H(C[6]C[3,6]N[6]H)	109.1130	0.213	3	109.1130	0.045	3	108.8636	0.139	5	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[5,5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]C)(H)2	N[6](C[6]C[5,5,6]HH)(C[6]C[6]O)(CCHH)	H(C[6]C[5,5,6]N[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[5,5,6]HH)(C[6]C[6]O)(CCHH){2|H<1>,3|C<4>}	H(C[6]C[5,5,6]N[6]H)	108.3630	0.025	2	108.3630	0.001	2	108.9780	0.505	4	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[5,5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]C)(H)2	N[6](C[6]C[5,5,6]HH)(C[6]C[6]O)(CH3)	H(C[6]C[5,5,6]N[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[5,5,6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,5,6]N[6]H)	109.5930	0.034	2	109.5930	0.001	2	108.9780	0.505	4	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]N[6]N)(CC[6a]HH)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N[6](C[6]C[5,6]HH)(C[6]N[6]N)(CC[6a]HH){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6]N[6]H)	107.8370	1.401	2	107.8370	1.964	2	108.6598	0.807	6	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[6a]CH)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[6a]CH){1|N<3>,1|O<2>,3|C<4>}	H(C[6]C[5,6]N[6]H)	109.1695	0.005	2	109.1695	0.000	2	108.6598	0.807	6	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]O)(CH3)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,6]N[6]H)	108.9730	0.016	2	108.9730	0.000	2	108.6598	0.807	6	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[6a]C[5])(N[6]C[6a]C[6])(H)2	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]N[5,6]C[6a]C[5])(N[6]C[6a]C[6])(H)2{1|C<4>,1|N<3>,3|H<1>,6|C<3>}	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[5,6]N[6]H)	109.6580	0.000	1	109.6580	0.000	1	109.6580	0.000	1	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6,6]C[3,6]N[6,6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]H)(SC[6a]OO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[3,6]N[6,6]H)(N[6]C[6]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]H)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6,6]N[6]H)	109.9765	0.025	2	109.9765	0.001	2	109.1931	0.310	7	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(SC[6a]OO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2{1|O<1>,2|C<4>,4|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(SC[6a]OO){2|H<1>,3|C<4>}	H(C[6]C[6,6]N[6]H)	108.8798	0.190	5	108.8798	0.036	5	109.1931	0.310	7	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:B[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]B[6]C)(H)2	N[6](C[6]C[6]HH)(B[6]C[6]N)(CC3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]B[6]C)(H)2{1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]HH)(B[6]C[6]N)(CC3){1|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	108.7810	0.515	2	108.6825	0.138	4	108.6825	0.138	4	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:B[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]B[6]C)(H)2	N[6](C[6]C[6]HH)(B[6]C[6]N)(CC3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]B[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)(B[6]C[6]N)(CC3){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	108.5840	0.331	2	108.6825	0.138	4	108.6825	0.138	4	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6])(H)2	N[6](C[6]C[6,6a]HH)(C[5]N[5]O[5])(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6])(H)2{1|N<2>,1|O<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[5]N[5]O[5])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7330	0.000	1	109.7330	0.000	1	109.7330	0.000	1	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]CH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<1>,2|O<2>}	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]CH){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	108.9120	0.018	2	108.9120	0.000	2	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]Pd)(CC[6]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2{1|Pd<4>,1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]Pd)(CC[6]HH){4|C<4>}	H(C[6]C[6]N[6]H)	109.6455	0.239	4	109.6455	0.057	4	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	109.3285	0.157	6	109.3285	0.025	6	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|C<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.4835	0.021	2	108.4835	0.000	2	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	109.5050	0.020	2	109.5050	0.000	2	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|C<2>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.2570	1.481	2	108.2570	2.192	2	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2515	0.039	2	109.2515	0.002	2	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]HH){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	104.9775	0.655	2	104.9775	0.430	2	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.1100	0.000	1	109.1100	0.000	1	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.1235	0.013	2	109.1235	0.000	2	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6]HH){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	108.6140	0.006	2	108.6140	0.000	2	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4835	0.059	2	109.1458	0.109	10	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.5625	0.049	2	109.1458	0.109	10	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH){2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.2630	0.059	4	109.1458	0.109	10	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH){1|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.1570	0.040	2	109.1458	0.109	10	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.2327	0.069	4	108.9867	0.154	10	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	109.1160	0.013	2	108.9867	0.154	10	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|O<1>,1|O<2>,2|C<4>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.6760	0.485	4	108.9867	0.154	10	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5025	0.018	2	109.1855	0.021	19	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<4>,1|S<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.0390	0.006	2	109.1855	0.021	19	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<4>,2|H<1>,2|I<1>}	H(C[6]C[6]N[6]H)	109.1285	0.026	2	109.1855	0.021	19	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<4>,2|H<1>,2|S<2>}	H(C[6]C[6]N[6]H)	109.2020	0.059	10	109.1855	0.021	19	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.1290	0.041	2	109.1855	0.021	19	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,2|C<4>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.9070	0.000	1	109.1855	0.021	19	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]2H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<1>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]2H){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.6320	0.033	2	108.6320	0.001	2	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<1>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]HH){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	108.7950	0.033	2	108.7950	0.001	2	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<2>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.0135	0.113	4	109.0135	0.013	4	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4929	0.205	9	109.2294	1.365	99	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|Pd<4>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4200	0.044	2	109.2294	1.365	99	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.1553	0.571	12	109.2294	1.365	99	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	106.9592	0.420	4	109.2294	1.365	99	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.2165	1.445	51	109.2294	1.365	99	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|Cr<7>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3075	0.059	2	109.2294	1.365	99	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|Cr<8>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7555	0.026	2	109.2294	1.365	99	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|Ga<4>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5680	0.074	2	109.2294	1.365	99	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|Ir<4>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4035	0.090	2	109.2294	1.365	99	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|Ni<5>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8100	0.000	2	109.2294	1.365	99	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|Ni<6>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6690	0.000	2	109.2294	1.365	99	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|Re<6>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8345	0.028	2	109.2294	1.365	99	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|Zn<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7385	0.026	2	109.2294	1.365	99	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|Zn<4>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5370	0.096	3	109.2294	1.365	99	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4555	0.029	2	109.2294	1.365	99	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]C)(CC[6a]HH){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5985	0.054	2	109.5985	0.003	2	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]H)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]H)(CCHH){1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.2935	0.111	4	109.4597	0.030	10	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]H)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]H)(CCHH){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5705	0.099	6	109.4597	0.030	10	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]H)(CC[5a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]H)(CC[5a]HH){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7207	0.078	3	109.7207	0.006	3	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6705	0.022	2	109.4848	0.078	11	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]HH){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4436	0.295	9	109.4848	0.078	11	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]H)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]H)(CH3){1|Pd<4>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7895	0.012	2	109.7895	0.000	2	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]H)(CN[6]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]H)(CN[6]HH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8000	0.045	4	109.8000	0.002	4	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]Ir)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|Ir<6>,1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]Ir)(CCHH){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7123	0.073	3	109.7123	0.005	3	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]N)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<2>,1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]N)(CCHH){1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4352	0.046	4	109.3492	0.019	6	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]N)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|H<1>,2|N<3>}	N[6](C[6]C[6]HH)(C[6]N[6]N)(CCHH){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.1770	0.016	2	109.3492	0.019	6	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]N)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|H<1>,2|N<3>}	N[6](C[6]C[6]HH)(C[6]N[6]N)(CC[6a]HH){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3050	0.000	1	109.3050	0.000	1	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]N)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<2>,1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]N)(CH3){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4685	0.325	13	109.4201	0.161	25	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]N)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|H<1>,2|N<3>}	N[6](C[6]C[6]HH)(C[6]N[6]N)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.8505	0.033	2	109.4201	0.161	25	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]N)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|H<1>,2|N<3>}	N[6](C[6]C[6]HH)(C[6]N[6]N)(CH3){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4710	0.459	10	109.4201	0.161	25	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[6](C[6]C[6]HH)(C[6]N[6]O)(CH3){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.9385	0.183	2	109.3513	0.155	98	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]O)(CH3){1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.3720	0.021	2	109.3513	0.155	98	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]O)(CH3){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.1837	0.482	36	109.3513	0.155	98	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,1|O<2>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]O)(CH3){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4689	0.288	58	109.3513	0.155	98	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]Rh)(CCCH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|Rh<4>,1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]Rh)(CCCH){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6352	0.106	8	109.6331	0.007	12	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]Rh)(CCCH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|Rh<6>,1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]Rh)(CCCH){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6287	0.026	4	109.6331	0.007	12	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]Rh)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|Rh<4>,1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]Rh)(CCHH){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5559	0.285	8	109.6149	0.062	12	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]Rh)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|Rh<6>,1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]Rh)(CCHH){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7330	0.100	4	109.6149	0.062	12	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]Rh)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|Rh<4>,1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]Rh)(CH3){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5251	0.107	7	109.5251	0.012	7	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]Ru)(CCCH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|Ru<4>,1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]Ru)(CCCH){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7580	0.042	4	109.7580	0.002	4	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]Ru)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|Ru<4>,1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]Ru)(CCHH){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8327	0.052	3	109.8327	0.003	3	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]Ru)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|Ru<4>,1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]Ru)(CH3){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6271	0.061	7	109.6271	0.004	7	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]O[6]O)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	N[6](C[6]C[6]HH)(C[6]O[6]O)(CC[6a]HH){1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3180	0.000	1	108.3130	1.049	3	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]O[6]O)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[6](C[6]C[6]HH)(C[6]O[6]O)(CC[6a]HH){1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	107.8105	0.763	2	108.3130	1.049	3	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]S[6]S)(CC[6a]CH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|S<1>,1|S<2>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]S[6]S)(CC[6a]CH){1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.9420	0.049	5	108.9420	0.002	5	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]N[6]H)	108.7310	0.175	4	108.7310	0.031	4	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]MoH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]MoH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|Mo<7>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.9990	0.096	3	108.9990	0.009	3	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(H)2{1|H<1>,1|N<2>,3|C<3>}	N[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	109.2433	0.200	4	109.2433	0.040	4	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,3|C<3>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	110.1970	0.055	2	110.1970	0.003	2	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,3|C<3>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CH){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5520	0.011	2	109.5520	0.000	2	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]O[6]O)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<3>}	N[6](C[6]C[6]HH)(C[6]O[6]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]H)	108.9655	1.873	2	108.9655	3.509	2	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]CC)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CC)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.6880	0.040	2	107.9363	0.758	4	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]CC)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CC)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	107.1845	0.108	2	107.9363	0.758	4	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]H)	109.5020	0.071	4	109.5020	0.005	4	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<1>}	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3){1|C<4>,1|H<1>,1|N<3>,1|S<1>}	H(C[6]C[6]N[6]H)	109.8146	0.067	8	109.8146	0.004	8	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|N<2>,2|C<4>}	N[6](C[6]C[6]HH)(C[6]C[6]N)(CH3){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4840	0.007	2	109.4840	0.000	2	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCCH){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6610	1.049	6	109.6610	1.101	6	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5430	0.210	4	108.9024	0.996	14	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]H)	106.7675	1.118	2	108.9024	0.996	14	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Co<6>,1|O<1>,2|C<4>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.1045	0.095	2	108.9024	0.996	14	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,2|C<4>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	108.8845	0.029	2	108.9024	0.996	14	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Ni<6>,1|O<1>,2|C<4>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	108.9845	0.098	2	108.9024	0.996	14	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4895	0.008	2	108.9024	0.996	14	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4535	0.022	2	109.4535	0.000	2	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|N<3>,1|S<1>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6795	0.064	2	109.4243	0.088	4	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CH3){1|N<3>,1|S<2>,2|H<1>}	H(C[6]C[6]N[6]H)	109.1690	0.016	2	109.4243	0.088	4	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]S)(CCCH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<2>}	N[6](C[6]C[6]HH)(C[6]C[6]S)(CCCH){1|N<3>,1|S<2>,2|H<1>}	H(C[6]C[6]N[6]H)	108.9107	0.825	20	109.2163	0.724	28	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]S)(CCCH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<2>}	N[6](C[6]C[6]HH)(C[6]C[6]S)(CCCH){1|N<3>,1|S<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.9990	0.102	4	109.2163	0.724	28	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]S)(CCCH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<3>}	N[6](C[6]C[6]HH)(C[6]C[6]S)(CCCH){1|N<3>,1|S<2>,2|H<1>}	H(C[6]C[6]N[6]H)	109.9620	0.131	4	109.2163	0.724	28	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<2>}	N[6](C[6]C[6]HH)(C[6]C[6]S)(CC[6a]HH){1|N<3>,1|S<2>,2|H<1>}	H(C[6]C[6]N[6]H)	108.8947	0.896	21	108.8947	0.803	21	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<1>}	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]H)	109.9485	0.006	2	109.0983	4.657	50	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<1>}	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3){1|N<3>,1|S<1>,2|H<1>}	H(C[6]C[6]N[6]H)	104.9767	6.889	4	109.0983	4.657	50	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<2>}	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3){1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	108.8455	0.069	2	109.0983	4.657	50	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<2>}	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3){1|N<3>,1|S<2>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4624	0.512	42	109.0983	4.657	50	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	109.7625	0.012	2	109.7625	0.000	2	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|S<3>,4|H<1>}	H(C[6]C[6]N[6]H)	108.6980	0.023	2	108.6980	0.001	2	109.2497	0.961	555	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6800	0.000	1	109.6800	0.000	1	109.5106	0.118	18	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|H<1>,2|C<3>}	N[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.0465	0.019	4	109.0465	0.000	4	109.5106	0.118	18	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|H<1>,3|C<3>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	110.1890	0.000	1	110.1890	0.000	1	109.5106	0.118	18	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6]C[6]HS)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]S)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HS)(N[6]C[6]S)(H)2{1|C<3>,1|H<1>,1|N<3>,1|S<1>}	N[6](C[6]C[6]HH)(C[6]N[6]S)(SC[6a]OO){1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8187	0.191	4	109.8187	0.036	4	109.5106	0.118	18	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]S)(H)2{1|C<4>,4|C<3>}	N[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.3040	0.010	2	109.3040	0.000	2	109.5106	0.118	18	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(H)2{1|C<4>,3|C<3>}	N[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3905	0.013	2	109.3905	0.000	2	109.5106	0.118	18	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|H<1>,1|S<4>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6165	0.005	2	109.6165	0.000	2	109.5106	0.118	18	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]N[6]H)	109.6195	0.046	2	109.6195	0.002	2	109.5106	0.118	18	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]O)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]C[6a]O)(N[6]C[6a]C[6])(H)2{2|H<1>,6|C<3>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[6]N[6]H)	109.6765	0.194	2	109.6765	0.038	2	109.3248	1.755	44	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|C<2>,1|H<1>,4|C<3>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){1|I<1>,3|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	110.1140	0.020	2	109.3640	0.313	12	109.3248	1.755	44	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|C<2>,1|H<1>,4|C<3>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8713	0.091	3	109.3640	0.313	12	109.3248	1.755	44	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	108.9323	0.193	7	109.3640	0.313	12	109.3248	1.755	44	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	H(C[6]C[6]N[6]H)	109.1700	0.004	2	109.1120	0.010	3	109.3248	1.755	44	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|O<2>,4|H<1>,6|C<3>}	H(C[6]C[6]N[6]H)	108.9960	0.000	1	109.1120	0.010	3	109.3248	1.755	44	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	N[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,5|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.0130	0.020	2	109.0130	0.000	2	109.3248	1.755	44	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|F<1>,3|H<1>,6|C<3>}	H(C[6]C[6]N[6]H)	109.9803	2.146	3	109.3013	3.234	23	109.3248	1.755	44	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	H(C[6]C[6]N[6]H)	109.1994	1.782	20	109.3013	3.234	23	109.3248	1.755	44	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{2|H<1>,4|C<3>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	109.6395	0.030	2	109.6395	0.001	2	109.3248	1.755	44	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	P[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](P[6]C[6]Pt2)(N[6]C[6]C)(H)2	N[6](C[6]P[6]HH)(C[6]N[6]H)(CC[6a]HH)	H(C[6]N[6]P[6]H)	C[6](P[6]C[6]Pt2)(N[6]C[6]C)(H)2{1|N<3>,3|H<1>}	N[6](C[6]P[6]HH)(C[6]N[6]H)(CC[6a]HH){2|Pt<4>,2|C<4>}	H(C[6]N[6]P[6]H)	109.3646	0.347	15	109.3646	0.120	15	109.3646	0.120	15	109.2507	0.948	662	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:3:5:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:Si-5:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]Si)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(SiLiCCO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]Si)(H)2{1|C<3>,1|O<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(SiLiCCO){1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5720	0.023	2	109.5720	0.001	2	109.5720	0.001	2	109.5720	0.001	2	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]C)(N[6]C[6]H)(H)2	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]C[6a]C)(N[6]C[6]H)(H)2{1|H<1>,5|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H){1|N<3>,5|C<3>}	H(C[6]C[6]N[6]H)	108.3920	0.010	4	108.3920	0.000	4	109.3294	0.266	20	109.2765	0.264	26	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6a]N[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[6](C[6]C[6a]N[6]C)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6065	0.200	4	109.6065	0.040	4	109.3294	0.266	20	109.2765	0.264	26	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)2(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(H){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5350	0.267	8	109.5495	0.048	12	109.3294	0.266	20	109.2765	0.264	26	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)2(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(H){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5785	0.092	4	109.5495	0.048	12	109.3294	0.266	20	109.2765	0.264	26	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4385	0.095	2	109.4385	0.009	2	109.4385	0.009	2	109.2765	0.264	26	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:P[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]P[6]H)(H)2	N[6](C[6]C[6]HH)(P[6]N[6]NO)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CC)(N[6]P[6]H)(H)2{1|O<1>,2|H<1>,2|N<3>}	N[6](C[6]C[6]HH)(P[6]N[6]NO)(H){1|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	108.9313	0.568	4	108.9313	0.322	4	108.9313	0.322	4	109.2765	0.264	26	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-2:	C[6]-4:	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CN)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CN){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.9470	0.007	2	109.9470	0.000	2	109.9470	0.000	2	109.7562	0.046	66	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-2:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CN){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8465	0.094	11	109.8465	0.009	11	109.8465	0.009	11	109.7562	0.046	66	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(NN)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2{2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(NN){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.9290	0.034	2	109.9290	0.001	2	109.7196	0.055	49	109.7562	0.046	66	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)2(NC)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(NC){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3724	0.161	8	109.3724	0.026	8	109.7196	0.055	49	109.7562	0.046	66	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)2(NNb[5])	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(NNb[5]){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7610	0.032	4	109.7610	0.001	4	109.7196	0.055	49	109.7562	0.046	66	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)2(NOs)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(NOs){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8740	0.178	4	109.8740	0.032	4	109.7196	0.055	49	109.7562	0.046	66	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)2(NC)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(NC){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5644	0.083	7	109.6322	0.014	11	109.7196	0.055	49	109.7562	0.046	66	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)2(NC)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(NC){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7507	0.057	4	109.6322	0.014	11	109.7196	0.055	49	109.7562	0.046	66	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)2(NO)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(NO){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7490	0.263	4	109.7490	0.069	4	109.7196	0.055	49	109.7562	0.046	66	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)2(NC)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]N)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(NC){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7665	0.157	8	109.7665	0.025	8	109.7196	0.055	49	109.7562	0.046	66	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)2(NN)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]N)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(NN){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.9137	0.056	4	109.9137	0.003	4	109.7196	0.055	49	109.7562	0.046	66	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)2(NS)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]N)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(NS){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	110.0370	0.045	4	110.0370	0.002	4	109.7196	0.055	49	109.7562	0.046	66	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-2:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a])	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8603	0.051	4	109.8603	0.003	4	109.8603	0.003	4	109.7562	0.046	66	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[3x6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[3x6]C[3x6]2C[6])(N[6]C[6]C)(H)2	N[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CCO)	H(C[6]C[3x6]N[6]H)	C[6](C[3x6]C[3x6]2C[6])(N[6]C[6]C)(H)2{5|C<4>,6|H<1>}	N[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CCO){5|C<4>}	H(C[6]C[3x6]N[6]H)	108.9135	0.025	2	108.9135	0.001	2	108.9135	0.001	2	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]O[5,5])(N[6]C[6]C)(H)2	N[6](C[6]C[5,5,6,6]HH)2(CC[6a]O)	H(C[6]C[5,5,6,6]N[6]H)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]O[5,5])(N[6]C[6]C)(H)2{1|C<3>,4|C<4>,4|H<1>}	N[6](C[6]C[5,5,6,6]HH)2(CC[6a]O){1|C<3>,2|C<4>,2|O<2>}	H(C[6]C[5,5,6,6]N[6]H)	109.1185	0.043	2	109.1185	0.002	2	109.6714	0.063	23	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]O[5,5])(N[6]C[6]C)(H)2	N[6](C[6]C[5,5,6,6]HH)2(COO)	H(C[6]C[5,5,6,6]N[6]H)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]O[5,5])(N[6]C[6]C)(H)2{1|C<3>,4|C<4>,4|H<1>}	N[6](C[6]C[5,5,6,6]HH)2(COO){1|C<3>,2|C<4>,2|O<2>}	H(C[6]C[5,5,6,6]N[6]H)	109.5470	0.021	2	109.5470	0.000	2	109.6714	0.063	23	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2	N[6](C[6]C[5,5,6,6]HH)2(CCO)	H(C[6]C[5,5,6,6]N[6]H)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2{1|C<3>,3|C<4>,4|H<1>}	N[6](C[6]C[5,5,6,6]HH)2(CCO){1|C<4>,2|C<3>,2|O<2>}	H(C[6]C[5,5,6,6]N[6]H)	109.8224	0.034	5	109.7790	0.032	16	109.6714	0.063	23	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2	N[6](C[6]C[5,5,6,6]HH)2(CCO)	H(C[6]C[5,5,6,6]N[6]H)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2{1|C<3>,3|H<1>,4|C<4>}	N[6](C[6]C[5,5,6,6]HH)2(CCO){1|C<4>,2|C<3>,2|O<2>}	H(C[6]C[5,5,6,6]N[6]H)	110.0300	0.031	3	109.7790	0.032	16	109.6714	0.063	23	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2	N[6](C[6]C[5,5,6,6]HH)2(CCO)	H(C[6]C[5,5,6,6]N[6]H)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2{2|C<3>,3|C<4>,3|H<1>}	N[6](C[6]C[5,5,6,6]HH)2(CCO){1|C<4>,2|C<3>,2|O<2>}	H(C[6]C[5,5,6,6]N[6]H)	109.6577	0.148	8	109.7790	0.032	16	109.6714	0.063	23	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2	N[6](C[6]C[5,5,6,6]HH)2(CC[6a]O)	H(C[6]C[5,5,6,6]N[6]H)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2{1|C<3>,3|C<4>,4|H<1>}	N[6](C[6]C[5,5,6,6]HH)2(CC[6a]O){1|C<3>,2|C<4>,2|O<2>}	H(C[6]C[5,5,6,6]N[6]H)	109.6910	0.000	1	109.6910	0.000	1	109.6714	0.063	23	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2	N[6](C[6]C[5,5,6,6]HH)2(COO)	H(C[6]C[5,5,6,6]N[6]H)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2{1|C<3>,3|C<4>,4|H<1>}	N[6](C[6]C[5,5,6,6]HH)2(COO){1|C<3>,2|C<4>,2|O<2>}	H(C[6]C[5,5,6,6]N[6]H)	109.4785	0.008	2	109.4785	0.000	2	109.6714	0.063	23	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]N[6]H)	109.4910	0.000	1	109.4910	0.000	1	109.1489	0.804	21	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(COO)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]N[6]H)	109.9440	0.006	2	109.4833	0.128	6	109.1489	0.804	21	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(COO)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{3|C<4>,5|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(COO){2|C<4>,3|H<1>}	H(C[6]C[5,6]N[6]H)	109.2530	0.028	4	109.4833	0.128	6	109.1489	0.804	21	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CCO)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CCO){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]N[6]H)	106.6195	0.115	2	108.2212	3.427	4	109.1489	0.804	21	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CCO)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<4>,1|O<2>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CCO){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]N[6]H)	109.8230	0.065	2	108.2212	3.427	4	109.1489	0.804	21	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C[5a])(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C[5a])(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>,4|C<3>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO){2|H<1>,3|C<3>}	H(C[6]C[5,6]N[6]H)	109.6800	0.006	2	109.3268	0.168	4	109.1489	0.804	21	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C[5a])(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C[5a])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]N[6]H)	108.9735	0.060	2	109.3268	0.168	4	109.1489	0.804	21	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)2(CCO)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6]C[5,6]HH)2(CCO){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]N[6]H)	109.1395	0.156	4	109.1395	0.024	4	109.1489	0.804	21	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CC[6a]O)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,3|C<4>,5|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CC[6a]O){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]N[6]H)	109.4930	0.023	2	109.4930	0.001	2	109.1489	0.804	21	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[3,4,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[3,4,6]C)(H)2	N[6](C[3,4,6]C[3,4,6]C[4,6,6]C[3,6])(C[6]C[6,6]HH)(COO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[3,4,6]C)(H)2{4|C<4>,4|H<1>}	N[6](C[3,4,6]C[3,4,6]C[4,6,6]C[3,6])(C[6]C[6,6]HH)(COO){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]N[6]H)	108.3355	0.764	2	108.3355	0.584	2	108.3355	0.584	2	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[4,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[4,6]C)(H)2	N[6](C[4,6]C[4,6,6]C[4,6]H)(C[6]C[6,6]HH)(COO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[4,6]C)(H)2{3|C<4>,5|H<1>}	N[6](C[4,6]C[4,6,6]C[4,6]H)(C[6]C[6,6]HH)(COO){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]N[6]H)	108.1535	2.317	2	108.1535	5.369	2	108.1535	5.369	2	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[5,3x6]C[6]C)(N[6]C[5,5,6]C)(H)2	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,3x6]C[6]C)(N[6]C[5,5,6]C)(H)2{4|C<4>,4|H<1>}	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCO){1|H<1>,7|C<4>}	H(C[6]C[6,6]N[6]H)	108.7490	0.096	3	108.7490	0.009	3	108.8815	0.017	15	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[5,3x6]C[6]C)(N[6]C[5,5,6]C)(H)2	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,3x6]C[6]C)(N[6]C[5,5,6]C)(H)2{4|C<4>,4|H<1>}	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO){1|H<1>,7|C<4>}	H(C[6]C[6,6]N[6]H)	108.7230	0.017	2	108.7230	0.000	2	108.8815	0.017	15	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[5,3x6]C[6]H)(N[6]C[5,5,6]C)(H)2	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,3x6]C[6]H)(N[6]C[5,5,6]C)(H)2{4|C<4>,4|H<1>}	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO){1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]N[6]H)	108.8980	0.042	2	108.9530	0.007	10	108.8815	0.017	15	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[5,3x6]C[6]H)(N[6]C[5,5,6]C)(H)2	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,3x6]C[6]H)(N[6]C[5,5,6]C)(H)2{4|C<4>,4|H<1>}	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO){2|H<1>,6|C<4>}	H(C[6]C[6,6]N[6]H)	108.9668	0.085	8	108.9530	0.007	10	108.8815	0.017	15	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(N[6]C[5]C[6])(H)2	N[6](C[5]C[5,6a]2H)(C[6]C[6,6]HH)(C[6]C[6]O)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6]O[6]2)(N[6]C[5]C[6])(H)2{1|H<1>,2|C<3>,2|O<1>,3|C<4>}	N[6](C[5]C[5,6a]2H)(C[6]C[6,6]HH)(C[6]C[6]O){2|H<1>,2|O<2>,5|C<3>}	H(C[6]C[6,6]N[6]H)	109.4485	0.025	2	109.4485	0.001	2	109.4485	0.001	2	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(CC[6a]O)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6,6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(CC[6a]O){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6,6]N[6]H)	109.4880	0.025	2	109.4880	0.001	2	109.3750	0.017	4	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(COO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6,6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(COO){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6,6]N[6]H)	109.2620	0.023	2	109.2620	0.001	2	109.3750	0.017	4	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6,6a]C[6]H)(N[6]C[6,6]C[6])(H)2	N[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6,6]HH)(C[6]C[6,6a]O)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6,6a]C[6]H)(N[6]C[6,6]C[6])(H)2{1|O<1>,2|C<3>,3|C<4>,3|H<1>}	N[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6,6]HH)(C[6]C[6,6a]O){1|N<4>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]N[6]H)	109.6150	0.017	2	109.6150	0.000	2	109.6150	0.000	2	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CCO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6]C)(H)2{3|C<4>,5|H<1>}	N[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(CCO){5|C<4>}	H(C[6]C[6,6]N[6]H)	109.1305	0.008	2	109.1305	0.000	2	109.2708	0.455	42	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(COO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]2H)(N[6]C[6]C)(H)2{1|N<3>,2|C<4>,5|H<1>}	N[6](C[6]C[6,6]HH)2(COO){2|H<1>,3|C<4>}	H(C[6]C[6,6]N[6]H)	109.2775	0.028	2	109.2775	0.001	2	109.2708	0.455	42	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCO){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]N[6]H)	109.4284	0.202	5	109.4284	0.041	5	109.2708	0.455	42	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CCO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|N<3>,2|C<4>,5|H<1>}	N[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CCO){2|H<1>,3|C<4>}	H(C[6]C[6,6]N[6]H)	109.3850	0.078	2	109.3850	0.006	2	109.2708	0.455	42	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|N<3>,2|C<4>,5|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO){2|C<4>,3|H<1>}	H(C[6]C[6,6]N[6]H)	109.2035	0.039	2	109.2035	0.002	2	109.2708	0.455	42	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CCO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	N[6](C[6]C[6,6]HH)2(CCO){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]N[6]H)	109.4961	0.101	8	109.0399	0.809	20	109.2708	0.455	42	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CCO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|O<2>,4|H<1>}	N[6](C[6]C[6,6]HH)2(CCO){2|H<1>,3|C<4>}	H(C[6]C[6,6]N[6]H)	108.6190	1.304	8	109.0399	0.809	20	109.2708	0.455	42	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CCO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,6|H<1>}	N[6](C[6]C[6,6]HH)2(CCO){2|H<1>,3|C<4>}	H(C[6]C[6,6]N[6]H)	108.9690	0.308	4	109.0399	0.809	20	109.2708	0.455	42	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(COO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,6|H<1>}	N[6](C[6]C[6,6]HH)2(COO){2|H<1>,3|C<4>}	H(C[6]C[6,6]N[6]H)	109.5990	0.020	2	109.5990	0.000	2	109.2708	0.455	42	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCO){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6,6]N[6]H)	109.7897	0.099	3	109.7897	0.010	3	109.2708	0.455	42	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC[5]O)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC[5]O){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6,6]N[6]H)	109.6645	0.056	2	109.6645	0.003	2	109.2708	0.455	42	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC[6]O)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC[6]O){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6,6]N[6]H)	109.7735	0.015	2	109.7735	0.000	2	109.2708	0.455	42	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(N[6]C[5,6]C)(H)2	N[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,5,6]HH)(N[6]C[5,6]C)(H)2{2|C<3>,3|C<4>}	N[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(COO){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.0575	0.005	2	109.1203	0.012	3	109.1203	0.012	3	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(N[6]C[5,6]C)(H)2	N[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,5,6]HH)(N[6]C[5,6]C)(H)2{2|C<4>,3|C<3>}	N[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(COO){1|N<2>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2460	0.000	1	109.1203	0.012	3	109.1203	0.012	3	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(CCO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]C)(H)2{2|C<4>,3|C<3>}	N[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(CCO){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	107.5045	1.887	2	107.5045	3.562	2	108.7119	1.714	24	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(COO){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6135	0.035	2	109.6135	0.001	2	108.7119	1.714	24	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(COO){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.4140	1.315	4	108.2512	1.897	6	108.7119	1.714	24	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(COO){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	107.9255	1.995	2	108.2512	1.897	6	108.7119	1.714	24	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CCO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6,6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CCO){3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8690	0.004	2	109.8690	0.000	2	108.7119	1.714	24	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CHO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6,6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CHO){3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	108.8905	2.347	4	108.8905	5.507	4	108.7119	1.714	24	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(COO){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	108.6048	0.366	6	108.6048	0.134	6	108.7119	1.714	24	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6,6]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCO)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6,6]HH)(N[6]C[6,6]C)(H)2{1|H<1>,3|C<4>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCO){1|C<4>,2|N<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.2070	0.025	2	109.2070	0.001	2	108.7119	1.714	24	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:B-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]B)(H)2	N[6](C[6]C[6]HH)2(BC[6a]2)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]B)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(BC[6a]2){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5180	0.043	4	109.5180	0.002	4	109.5180	0.002	4	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6,6]HH)(N[6]C[6]C)(H)2{1|H<1>,2|C<3>,2|C<4>}	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.0900	0.052	2	109.0900	0.003	2	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]CC)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{2|C<3>,3|C<4>}	N[6](C[6]C[5,6]CC)(C[6]C[6]HH)(COO){1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5125	0.029	2	109.5125	0.001	2	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|H<1>,3|C<3>}	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(COO){1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.4100	0.023	2	109.4100	0.001	2	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO){2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.3850	0.000	1	109.7352	0.044	5	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8960	0.025	2	109.7352	0.044	5	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.7495	0.011	2	109.7352	0.044	5	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.8305	0.022	2	109.7508	0.005	6	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(COO){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.7110	0.032	4	109.7508	0.005	6	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|H<1>,2|C<4>,2|O<2>}	N[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(COO){1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	109.6920	0.043	3	109.6920	0.002	3	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3395	0.008	2	109.3395	0.000	2	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,2|O<2>}	N[6](C[6]C[6]HH)2(CC[6a]O){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6221	0.123	15	109.6221	0.015	15	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN[5]O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,2|O<2>}	N[6](C[6]C[6]HH)2(CN[5]O){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5812	0.097	6	109.5812	0.009	6	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(COO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5906	0.055	8	109.5906	0.003	8	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HO)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HO)(N[6]C[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(COO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]N[6]H)	109.1820	0.023	2	109.1820	0.001	2	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(CC[6a]O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]C)(H)2{1|H<1>,5|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(CC[6a]O){1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6]N[6]H)	109.2010	0.048	2	109.2010	0.002	2	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<2>,1|C<4>,2|C<3>}	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(COO){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5687	0.124	4	109.6140	0.014	6	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<4>,3|C<3>}	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(COO){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7045	0.036	2	109.6140	0.014	6	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CCO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CCO){1|C<3>,1|S<2>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4725	0.006	2	109.4725	0.000	2	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CC[6a]O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CC[6a]O){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2785	0.005	2	109.2785	0.000	2	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CNO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CNO){1|C<3>,1|S<2>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4040	0.018	2	109.4040	0.000	2	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(COO){2|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	109.6025	0.042	2	109.6025	0.002	2	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CCO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|S<2>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CCO){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6432	0.193	6	109.6432	0.037	6	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CNO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CNO){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	106.9615	0.015	2	106.9615	0.000	2	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<2>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2360	0.004	2	108.8247	0.571	6	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	107.9350	0.690	2	108.8247	0.571	6	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO){1|C<3>,1|S<2>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3030	0.025	2	108.8247	0.571	6	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(CC[5]O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|H<1>,1|O<2>,2|C<3>}	N[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(CC[5]O){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	106.9405	1.852	2	106.9405	3.430	2	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HH)2(CCO){2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4497	0.037	4	109.4497	0.001	4	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,1|O<2>,4|H<1>}	N[6](C[6]C[6]HH)2(COO){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4545	0.083	2	109.4545	0.007	2	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5a]N[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a]N[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]O){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.6410	0.030	2	109.6410	0.001	2	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CC[6a]O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	N[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CC[6a]O){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	105.9800	0.119	2	105.9800	0.014	2	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCO){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6533	0.108	6	109.6533	0.012	6	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.8360	0.045	2	109.8360	0.002	2	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	N[6](C[6]C[6]HH)2(CC[6a]O){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5405	0.196	4	109.5405	0.038	4	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](C[6]C[6]HH)2(COO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5443	0.134	4	109.5866	0.015	11	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)2(COO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6109	0.121	7	109.5866	0.015	11	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(CCO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<2>,1|C<4>,2|C<3>}	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(CCO){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5433	0.033	4	109.8003	3.970	6	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(CCO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{2|C<3>,2|C<4>}	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(CCO){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	110.3145	4.365	2	109.8003	3.970	6	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<2>,1|C<4>,2|C<3>}	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(COO){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6183	0.023	3	109.6183	0.001	3	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<2>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7097	0.026	3	109.7177	0.026	13	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7201	0.186	10	109.7177	0.026	13	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]O){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8685	0.039	2	109.8685	0.002	2	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CNO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CNO){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6750	0.017	2	109.6750	0.000	2	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<2>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(COO){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7315	0.042	2	109.6637	0.015	3	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(COO){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5280	0.000	1	109.6637	0.015	3	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HH)(CC[6a]O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{4|C<3>}	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HH)(CC[6a]O){2|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	109.8505	0.032	2	109.8505	0.001	2	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(CC[5]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(CC[5]H){2|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	110.0475	0.053	2	110.0475	0.003	2	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCO){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7515	0.047	2	109.7515	0.002	2	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCS)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCS){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7315	0.050	2	109.7315	0.003	2	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CN[5]O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CN[5]O){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6755	0.009	2	109.6755	0.000	2	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CN[5a]O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CN[5a]O){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6540	0.018	2	109.6540	0.000	2	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CN[6]S)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CN[6]S){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	106.6540	2.428	2	106.6540	5.896	2	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<2>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(COO){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.9060	0.017	2	109.6388	0.095	4	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(COO){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3715	0.019	2	109.6388	0.095	4	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CSS)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CSS){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4120	0.033	2	109.4120	0.001	2	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CSeN)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CSeN){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7120	0.000	1	109.7120	0.000	1	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CC[5]O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|H<1>,1|O<2>,2|C<3>}	N[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CC[5]O){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4035	1.242	2	109.4035	1.544	2	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	N[6](C[6]C[6]HH)2(COO){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.0015	0.037	2	109.0015	0.001	2	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)(COO){1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]N[6]H)	109.7655	0.017	4	109.7472	0.002	5	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)(COO){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]N[6]H)	109.6740	0.000	1	109.7472	0.002	5	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CCO){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]N[6]H)	110.2930	0.008	2	110.2930	0.000	2	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(COO){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3737	0.007	3	109.4838	0.023	5	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(COO){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6490	0.008	2	109.4838	0.023	5	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CN)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CN)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	N[6](C[6]C[6]HH)2(COO){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.0335	0.056	2	109.1697	0.057	3	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CN)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CN)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]N[6]H)	109.4420	0.000	1	109.1697	0.057	3	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CO)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CO)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CCO){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]N[6]H)	108.8590	0.013	2	108.8590	0.000	2	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]ClC)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]ClC)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(COO){1|Cl<1>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3195	0.018	2	109.3195	0.000	2	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]FH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]FH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6]HH)2(COO){1|C<4>,1|F<1>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6420	0.050	3	109.6420	0.003	3	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]FH)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]FH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|F<1>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6557	0.025	3	109.6557	0.001	3	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[6a]O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[6a]O){2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	110.3900	2.326	2	110.3900	5.412	2	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4732	0.212	6	109.4395	0.030	16	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4193	0.154	10	109.4395	0.030	16	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]O){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4270	0.034	2	109.4270	0.001	2	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[5]O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[5]O){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.2335	0.008	2	109.2335	0.000	2	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]O){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5155	0.043	2	109.5155	0.002	2	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]O){2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	106.5090	0.935	2	106.5090	0.874	2	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CNN)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CNN){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5649	0.065	8	109.5649	0.004	8	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CNS)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CNS){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.9762	1.299	4	109.9762	1.688	4	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|H<1>,1|O<2>,3|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5390	0.000	1	108.0970	2.510	8	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4360	0.000	1	108.0970	2.510	8	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	107.6335	1.575	6	108.0970	2.510	8	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CBrC)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CBrC){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4800	0.062	4	109.4800	0.004	4	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCC)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CCC){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	108.9128	2.561	20	108.9128	6.560	20	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CCH){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7528	0.065	8	109.7528	0.004	8	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCN)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CCN){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6026	0.220	21	109.6026	0.048	21	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CCO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5566	0.093	19	109.5110	0.196	219	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	N[6](C[6]C[6]HH)2(CCO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6606	0.132	23	109.5110	0.196	219	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HH)2(CCO){2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.9877	0.046	3	109.5110	0.196	219	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6]HH)2(CCO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5707	0.068	6	109.5110	0.196	219	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CCO){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4680	0.011	2	109.5110	0.196	219	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CCO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4495	0.533	141	109.5110	0.196	219	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CCO){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6440	0.000	1	109.5110	0.196	219	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CCO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6162	0.083	24	109.5110	0.196	219	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCS)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CCS){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	108.8129	1.116	8	108.8129	1.246	8	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCW)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CCW){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4727	0.070	7	109.4727	0.005	7	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[3]O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CC[3]O){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.1197	0.247	4	109.1197	0.061	4	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5,5,6]O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CC[5,5,6]O){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	108.2807	1.389	4	108.2807	1.930	4	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5]C)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CC[5]C){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5607	0.058	7	109.5607	0.003	7	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CC[5]H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4915	0.099	4	109.4915	0.010	4	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5]O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CC[5]O){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5803	0.066	22	109.5803	0.004	22	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5]S)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CC[5]S){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5708	0.175	13	109.5708	0.031	13	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5a]O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CC[5a]O){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6857	0.090	4	109.6764	0.005	8	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5a]O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[5a]O){1|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6670	0.054	4	109.6764	0.005	8	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6]C)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CC[6]C){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	107.7013	1.267	8	107.7013	1.606	8	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CC[6]H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	108.6795	4.506	4	108.6795	20.301	4	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6]O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CC[6]O){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3991	0.338	30	109.3991	0.114	30	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]C)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]C){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6120	0.017	4	108.7010	4.355	8	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]C)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]C){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	107.7900	2.819	4	108.7010	4.355	8	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]N[6])	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]N[6]){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	107.4416	1.593	16	107.4416	2.537	16	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]O){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3786	0.145	7	109.4128	2.165	68	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,3|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]O){1|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.1770	0.007	2	109.4128	2.165	68	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]O){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6835	0.150	11	109.4128	2.165	68	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]O){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.1580	2.425	25	109.4128	2.165	68	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|F<1>,2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]O){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5418	0.068	4	109.4128	2.165	68	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]O){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6016	0.126	19	109.4128	2.165	68	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]S)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]S){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6311	0.195	10	109.6311	0.038	10	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCrC)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CCrC){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4601	0.149	7	109.4601	0.022	7	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CHN)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CHN){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6924	0.283	18	109.6924	0.080	18	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CNN)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CNN){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6497	0.229	71	109.6497	0.052	71	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CNO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CNO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6291	0.083	7	109.5506	0.041	37	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CNO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CNO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5674	0.087	22	109.5506	0.041	37	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CNO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CNO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4359	0.401	8	109.5506	0.041	37	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CNP)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CNP){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5677	0.091	3	109.5677	0.008	3	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CNS)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CNS){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3089	0.776	46	109.3643	0.529	54	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CNS)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CNS){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6824	0.051	8	109.3643	0.529	54	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN[5]O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CN[5]O){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4035	0.141	4	109.4035	0.020	4	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CN[6]H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5053	0.198	4	109.5053	0.039	4	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN[6]N)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CN[6]N){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6103	0.185	16	109.6103	0.034	16	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN[6]P)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CN[6]P){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5106	0.395	22	109.5106	0.156	22	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)2(COO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4983	0.062	7	109.5096	0.211	85	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6]C[6]HH)2(COO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5590	0.200	9	109.5096	0.211	85	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(COO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4727	0.065	11	109.5096	0.211	85	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|P<4>,2|H<1>}	N[6](C[6]C[6]HH)2(COO){1|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.8035	0.029	2	109.5096	0.211	85	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	N[6](C[6]C[6]HH)2(COO){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4700	0.086	2	109.5096	0.211	85	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	N[6](C[6]C[6]HH)2(COO){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6305	0.029	2	109.5096	0.211	85	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,3|H<1>}	N[6](C[6]C[6]HH)2(COO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6827	0.017	4	109.5096	0.211	85	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	N[6](C[6]C[6]HH)2(COO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6245	0.016	2	109.5096	0.211	85	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6]HH)2(COO){1|C<4>,1|F<1>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6387	0.030	3	109.5096	0.211	85	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6]HH)2(COO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5075	0.148	12	109.5096	0.211	85	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(COO){1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4850	0.007	2	109.5096	0.211	85	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(COO){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6025	0.067	2	109.5096	0.211	85	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(COO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.2470	1.250	11	109.5096	0.211	85	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(COO){1|Cl<1>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7360	0.000	1	109.5096	0.211	85	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(COO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5449	0.101	15	109.5096	0.211	85	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CPdN)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CPdN){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	108.4163	3.920	4	108.4163	15.369	4	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CPdO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CPdO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4930	0.068	4	109.4930	0.005	4	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CRuC)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CRuC){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3514	0.209	17	109.3514	0.044	17	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CSS)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CSS){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5482	0.554	87	109.5882	0.237	117	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CSS)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CSS){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7041	0.147	30	109.5882	0.237	117	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CSeC)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CSeC){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8093	0.051	4	109.8093	0.003	4	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CSeN)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CSeN){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4309	0.083	8	109.5416	0.033	12	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CSeN)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CSeN){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7630	0.072	4	109.5416	0.033	12	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CTiC)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CTiC){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4455	0.187	8	109.4455	0.035	8	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CZrC)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CZrC){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6960	0.078	3	109.6960	0.006	3	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6300	0.038	2	109.4488	0.029	6	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]O){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.2550	0.018	2	109.4488	0.029	6	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]O){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4615	0.022	2	109.4488	0.029	6	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4490	0.000	1	109.3840	0.003	3	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3515	0.009	2	109.3840	0.003	3	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CCO){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.8265	0.030	2	109.5863	0.174	3	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CCO){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.1060	0.000	1	109.5863	0.174	3	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4530	0.045	2	109.4530	0.002	2	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]O[6]CC)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2{1|H<1>,1|O<2>,3|C<4>}	N[6](C[6]C[6]HH)(C[6]O[6]CC)(COO){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6]H)	106.0880	6.733	2	106.0880	45.334	2	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|F<1>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.3217	0.013	3	109.3217	0.000	3	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HW)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HW)(N[6]C[6]C)(H)2{1|C<2>,1|C<4>,1|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|C<3>,1|C<4>,1|W<7>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8575	0.030	2	109.8678	0.001	4	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HW)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HW)(N[6]C[6]C)(H)2{1|C<2>,1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|W<7>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8780	0.016	2	109.8678	0.001	4	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]MoH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]MoH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|Mo<8>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3290	0.000	1	109.3290	0.000	1	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]OO)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CCO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]OO)(N[6]C[6]C)(H)2{1|N<3>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CCO){1|C<3>,1|C<4>,2|O<2>}	H(C[6]C[6]N[6]H)	109.7422	0.152	4	109.7422	0.023	4	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]2C[6])(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]2C[6])(N[6]C[6]C)(H)2{2|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]O){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2775	0.021	2	109.2775	0.000	2	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.9535	0.071	2	108.9535	0.005	2	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[6](C[6]C[6]HH)2(COO){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8207	0.080	3	109.8200	0.005	6	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[6](C[6]C[6]HH)2(COO){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7780	0.013	2	109.8200	0.005	6	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6]C[6]HH)2(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]N[6]H)	109.9020	0.000	1	109.8200	0.005	6	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.3240	0.023	2	109.3240	0.001	2	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|H<1>,1|S<4>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5805	0.030	2	109.5805	0.001	2	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]O)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]O){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6535	0.029	2	109.6535	0.001	2	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(COO){1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.3730	0.580	2	109.3730	0.336	2	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CHO)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CHO){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.3550	0.011	2	109.3550	0.000	2	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5457	1.465	4	109.5457	2.145	4	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]H)	109.9540	0.079	2	109.7133	0.080	4	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|H<1>,1|S<4>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4725	0.047	2	109.7133	0.080	4	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCC)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CCC){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3130	0.231	4	109.3130	0.053	4	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCN)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CCN){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5550	0.114	3	109.6603	0.025	7	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCN)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CCN){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7392	0.149	4	109.6603	0.025	7	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCO)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CCO){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5144	0.393	87	109.4688	0.259	137	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCO)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CCO){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3894	0.661	50	109.4688	0.259	137	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCS)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CCS){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3222	0.711	8	109.4614	0.364	12	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCS)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CCS){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7398	0.026	4	109.4614	0.364	12	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5a]N)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[5a]N){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7082	0.478	85	109.7030	0.174	116	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5a]N)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CC[5a]N){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6887	0.159	31	109.7030	0.174	116	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5a]O)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[5a]O){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5970	0.151	25	109.5970	0.023	25	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6]O)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6]O){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6239	0.173	12	109.5967	0.027	15	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6]O)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CC[6]O){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4880	0.034	3	109.5967	0.027	15	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]N)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]N){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.1975	0.022	2	109.5714	0.296	40	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]N)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]N){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7055	0.101	12	109.5714	0.296	40	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]N)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]N){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7368	0.060	4	109.5714	0.296	40	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]N)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]N){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3861	0.848	15	109.5714	0.296	40	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]N)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]N){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7510	0.075	7	109.5714	0.296	40	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]N[6])	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]N[6]){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4631	0.407	7	109.2482	0.192	15	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]N[6])	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	N[6](C[6]C[6]HH)2(CC[6a]N[6]){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.0601	0.395	8	109.2482	0.192	15	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]O)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]O){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5463	0.303	120	109.5496	0.081	139	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]O)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]O){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5735	0.122	15	109.5496	0.081	139	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]O)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]O){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5588	0.045	4	109.5496	0.081	139	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CHO)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CHO){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5878	0.173	11	109.5878	0.030	11	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CNN)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CNN){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6225	0.081	4	109.6225	0.007	4	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CNO)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CNO){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5577	0.129	12	109.4470	0.051	28	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CNO)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CNO){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5819	0.078	8	109.4470	0.051	28	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CNO)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CNO){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.1461	0.132	8	109.4470	0.051	28	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CNS)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CNS){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6593	0.184	4	109.6374	0.027	20	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CNS)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CNS){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6320	0.165	16	109.6374	0.027	20	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN[5a]S)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CN[5a]S){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	107.9155	2.229	4	107.9155	4.968	4	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(COO){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5717	0.146	39	109.5997	0.156	89	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<4>,2|H<1>}	N[6](C[6]C[6]HH)2(COO){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6773	0.065	4	109.5997	0.156	89	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(COO){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7813	0.075	3	109.5997	0.156	89	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(COO){1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6320	1.065	2	109.5997	0.156	89	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(COO){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5408	0.075	4	109.5997	0.156	89	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(COO){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6108	0.568	37	109.5997	0.156	89	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CSS)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CSS){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3624	0.737	36	109.4637	0.401	53	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CSS)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CSS){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6781	0.208	17	109.4637	0.401	53	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]O[6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(COO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6933	0.184	4	109.6933	0.034	4	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CBrC)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CBrC){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8663	0.130	4	109.8663	0.017	4	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCC)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CCC){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.1774	1.862	31	109.1774	3.465	31	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCH)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CCH){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8024	0.163	11	109.8024	0.027	11	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCN)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CCN){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6291	0.139	23	109.6291	0.019	23	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCO)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CCO){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6313	0.786	145	109.6313	0.618	145	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCS)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CCS){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8396	0.219	35	109.8396	0.048	35	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[3]O)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[3]O){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6647	0.063	11	109.6647	0.004	11	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5]O)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[5]O){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7554	0.128	10	109.7554	0.016	10	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5]S)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[5]S){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5957	0.096	4	109.5957	0.009	4	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5a]N)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[5a]N){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6500	0.250	3	109.6500	0.062	3	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5a]O)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[5a]O){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7550	0.092	8	109.7550	0.008	8	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6]O)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6]O){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5509	0.198	12	109.5509	0.039	12	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6]S)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6]S){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4817	0.192	3	109.4817	0.037	3	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]C)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]C){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5594	0.125	8	109.5594	0.016	8	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]N)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]N){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5600	1.073	12	109.5600	1.151	12	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]O)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]O){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6405	0.994	45	109.6405	0.988	45	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]S)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]S){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7374	0.212	7	109.7374	0.045	7	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CHN)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CHN){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8082	0.194	13	109.8082	0.038	13	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CNN)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CNN){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6976	0.238	41	109.6976	0.057	41	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CNO)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CNO){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6388	0.707	32	109.6388	0.499	32	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CNS)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CNS){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5782	1.477	82	109.5782	2.182	82	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN[5]N)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CN[5]N){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.9158	0.184	4	109.9158	0.034	4	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN[5a]O)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CN[5a]O){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7992	0.121	16	109.7992	0.015	16	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN[6]C)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CN[6]C){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	108.6119	1.353	8	108.6119	1.832	8	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN[6]O)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CN[6]O){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7283	0.118	12	109.7283	0.014	12	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(COO){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7985	0.063	4	109.7985	0.004	4	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CPdN)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CPdN){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	107.0657	3.380	4	107.0657	11.422	4	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CSS)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CSS){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5496	0.514	76	109.5496	0.264	76	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCO)	H(C[6]C[6]N[6]H)	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CCO){1|S<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.2968	0.062	4	109.2968	0.004	4	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCS)	H(C[6]C[6]N[6]H)	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CCS){1|S<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.2170	0.265	4	109.2170	0.070	4	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CNS)	H(C[6]C[6]N[6]H)	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CNS){1|S<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4698	0.066	4	109.4698	0.004	4	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(COO){1|S<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3460	0.053	4	109.3460	0.003	4	109.5026	0.640	2685	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{3|C<4>,4|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|B<4>,3|C<4>,7|H<1>}	H(C[6]C[6]N[6]H)	109.0433	0.079	4	109.0433	0.006	4	109.5074	0.490	115	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O){3|C<4>,6|H<1>}	H(C[6]C[6]N[6]H)	109.4935	0.771	2	109.4935	0.595	2	109.5074	0.490	115	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(C[6]C[6]2)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]N[6]H)	108.9174	2.071	8	109.1109	3.124	11	109.5074	0.490	115	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(C[6]C[6]2)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6270	0.250	3	109.1109	3.124	11	109.5074	0.490	115	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(C[6]N[6]2)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	N[6](C[6]C[6]HH)2(C[6]N[6]2){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.5268	0.154	5	109.5053	0.050	16	109.5074	0.490	115	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(C[6]N[6]2)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,2|N<2>,3|H<1>}	N[6](C[6]C[6]HH)2(C[6]N[6]2){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7277	0.092	3	109.5053	0.050	16	109.5074	0.490	115	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(C[6]N[6]2)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|N<2>,4|H<1>}	N[6](C[6]C[6]HH)2(C[6]N[6]2){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4084	0.243	8	109.5053	0.050	16	109.5074	0.490	115	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(C[6]C[6]2)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|N<3>,2|C<3>,6|H<1>}	H(C[6]C[6]N[6]H)	109.4737	0.065	4	109.4739	0.089	22	109.5074	0.490	115	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(C[6]C[6]2)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|N<4>,2|C<3>,6|H<1>}	H(C[6]C[6]N[6]H)	109.0497	0.055	3	109.4739	0.089	22	109.5074	0.490	115	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(C[6]C[6]2)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|N<3>,2|C<3>,6|H<1>}	H(C[6]C[6]N[6]H)	109.5197	0.306	12	109.4739	0.089	22	109.5074	0.490	115	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(C[6]C[6]2)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7150	0.196	3	109.4739	0.089	22	109.5074	0.490	115	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(C[6]N[6]2)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<4>,1|N<2>,1|N<3>,1|S<4>,2|H<1>}	N[6](C[6]C[6]HH)2(C[6]N[6]2){1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.5523	0.073	4	109.3803	0.497	12	109.5074	0.490	115	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(C[6]N[6]2)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	N[6](C[6]C[6]HH)2(C[6]N[6]2){1|N<4>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.6030	0.057	4	109.3803	0.497	12	109.5074	0.490	115	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(C[6]N[6]2)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{2|C<4>,2|H<1>,2|N<2>}	N[6](C[6]C[6]HH)2(C[6]N[6]2){1|C<3>,1|N<3>,1|P<4>,4|H<1>}	H(C[6]C[6]N[6]H)	108.9857	1.225	4	109.3803	0.497	12	109.5074	0.490	115	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(C[6]C[6]2)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6]N[6]H)	109.8230	0.083	3	109.7561	0.033	12	109.5074	0.490	115	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(C[6]C[6]2)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|Cl<1>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7443	0.359	3	109.7561	0.033	12	109.5074	0.490	115	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(C[6]C[6]2)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|O<2>,2|C<3>,6|H<1>}	H(C[6]C[6]N[6]H)	109.6287	0.037	3	109.7561	0.033	12	109.5074	0.490	115	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(C[6]C[6]2)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{2|H<1>,3|C<4>}	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	H(C[6]C[6]N[6]H)	109.8283	0.064	3	109.7561	0.033	12	109.5074	0.490	115	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(C[6]N[6]2)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|H<1>,2|N<2>}	N[6](C[6]C[6]HH)2(C[6]N[6]2){1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7959	0.633	21	109.7959	0.400	21	109.5074	0.490	115	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]S[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(C[6]C[6]2)	H(C[6]C[6]N[6]H)	C[6](C[6]S[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|S<2>,2|C<3>,6|H<1>}	H(C[6]C[6]N[6]H)	109.4107	0.085	7	109.4107	0.007	7	109.5074	0.490	115	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]Se[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(C[6]C[6]2)	H(C[6]C[6]N[6]H)	C[6](C[6]Se[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|Se<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5295	0.555	8	109.5295	0.308	8	109.5074	0.490	115	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:P-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(POO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(POO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	108.9990	0.256	4	108.9990	0.066	4	109.1754	0.081	7	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:P-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(POO)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]P)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(POO){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4107	0.019	3	109.4107	0.000	3	109.1754	0.081	7	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	P[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](P[6,6]C[6,6]C[6]Cu)(N[6]C[6]C)(H)2	N[6](C[6]N[6,6]HH)(C[6]P[6,6]HH)(CCO)	H(C[6]P[6,6]N[6]H)	C[6](P[6,6]C[6,6]C[6]Cu)(N[6]C[6]C)(H)2{2|N<3>,6|H<1>}	N[6](C[6]N[6,6]HH)(C[6]P[6,6]HH)(CCO){1|Cu<4>,3|C<4>}	H(C[6]P[6,6]N[6]H)	108.4963	0.154	7	108.4963	0.024	7	108.6440	0.088	15	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	P[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](P[6,6]C[6,6]C[6]Mo)(N[6]C[6]C)(H)2	N[6](C[6]N[6,6]HH)(C[6]P[6,6]HH)(CCO)	H(C[6]P[6,6]N[6]H)	C[6](P[6,6]C[6,6]C[6]Mo)(N[6]C[6]C)(H)2{2|N<3>,6|H<1>}	N[6](C[6]N[6,6]HH)(C[6]P[6,6]HH)(CCO){1|Mo<9>,3|C<4>}	H(C[6]P[6,6]N[6]H)	108.6803	0.413	4	108.6803	0.170	4	108.6440	0.088	15	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	P[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](P[6,6]C[6,6]C[6]Pt)(N[6]C[6]C)(H)2	N[6](C[6]N[6,6]HH)(C[6]P[6,6]HH)(CCO)	H(C[6]P[6,6]N[6]H)	C[6](P[6,6]C[6,6]C[6]Pt)(N[6]C[6]C)(H)2{2|N<3>,6|H<1>}	N[6](C[6]N[6,6]HH)(C[6]P[6,6]HH)(CCO){1|Pt<4>,3|C<4>}	H(C[6]P[6,6]N[6]H)	108.8663	0.271	4	108.8663	0.073	4	108.6440	0.088	15	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	Si[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](Si[6]O[6]CC)(N[6]C[6]C)(H)2	N[6](C[6]Si[6]HH)2(CCO)	H(C[6]Si[6]N[6]H)	C[6](Si[6]O[6]CC)(N[6]C[6]C)(H)2{1|Si<4>,2|H<1>}	N[6](C[6]Si[6]HH)2(CCO){1|O<2>,4|C<4>}	H(C[6]Si[6]N[6]H)	109.4813	0.475	4	109.4813	0.225	4	109.3768	0.087	16	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	Si[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](Si[6]O[6]CC)(N[6]C[6]C)(H)2	N[6](C[6]Si[6]HH)2(CC[5]O)	H(C[6]Si[6]N[6]H)	C[6](Si[6]O[6]CC)(N[6]C[6]C)(H)2{1|Si<4>,2|H<1>}	N[6](C[6]Si[6]HH)2(CC[5]O){1|O<2>,4|C<4>}	H(C[6]Si[6]N[6]H)	109.3420	0.227	12	109.3420	0.052	12	109.3768	0.087	16	109.4805	0.638	2984	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{3|C<4>,5|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){2|C<4>,3|H<1>}	H(C[6]C[5,6]N[6]H)	109.6410	0.000	1	109.6410	0.000	1	109.6410	0.000	1	109.4768	0.272	148	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6]C[6]3)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6]3)(N[6]C[6]S)(H)2{4|C<4>,7|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(SC[6a]OO){1|H<1>,4|C<4>}	H(C[6]C[6,6]N[6]H)	109.7720	0.006	2	109.7720	0.000	2	109.6287	0.022	14	109.4768	0.272	148	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]HH)2(SCOO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]S)(H)2{1|C<4>,1|N<3>,1|S<4>,4|H<1>}	N[6](C[6]C[6,6]HH)2(SCOO){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]N[6]H)	109.6048	0.147	12	109.6048	0.021	12	109.6287	0.022	14	109.4768	0.272	148	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]S)(H)2	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(SCOO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]S)(H)2{1|H<1>,1|O<2>,3|C<4>}	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(SCOO){2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4578	0.070	4	109.4578	0.005	4	109.4578	0.005	4	109.4768	0.272	148	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCeNN)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CCeNN){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5540	0.252	7	109.5540	0.063	7	109.5540	0.063	7	109.4768	0.272	148	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:P-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PC[5]ClPt)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(PC[5]ClPt){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4383	0.066	3	109.4383	0.004	3	109.5777	0.077	68	109.4768	0.272	148	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:P-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PC[6a]2C)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(PC[6a]2C){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	108.7557	0.242	4	108.7557	0.059	4	109.5777	0.077	68	109.4768	0.272	148	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:P-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PN[6]MoC)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(PN[6]MoC){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3760	0.055	4	109.3760	0.003	4	109.5777	0.077	68	109.4768	0.272	148	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:P-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PN[6]NN)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(PN[6]NN){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3752	0.150	4	109.3752	0.023	4	109.5777	0.077	68	109.4768	0.272	148	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:P-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PN[6]PdO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(PN[6]PdO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4537	0.106	8	109.4537	0.011	8	109.5777	0.077	68	109.4768	0.272	148	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:P-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PPdOO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(PPdOO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5722	0.053	4	109.5722	0.003	4	109.5777	0.077	68	109.4768	0.272	148	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:P-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PNOO)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]P)(H)2{1|C<4>,1|P<4>,2|H<1>}	N[6](C[6]C[6]HH)2(PNOO){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8316	0.093	14	109.8316	0.009	14	109.5777	0.077	68	109.4768	0.272	148	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:P-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PN[6]MoC)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(PN[6]MoC){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7240	0.085	4	109.7240	0.007	4	109.5777	0.077	68	109.4768	0.272	148	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:P-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PN[6]NO)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(PN[6]NO){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6732	0.114	23	109.6732	0.013	23	109.5777	0.077	68	109.4768	0.272	148	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	110.1380	0.000	1	110.1380	0.000	1	109.4709	0.418	46	109.4768	0.272	148	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[5a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|S<2>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[5a]OO){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7815	0.015	2	109.7815	0.000	2	109.4709	0.418	46	109.4768	0.272	148	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(SC[6a]OO){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.3915	0.039	2	109.5233	0.024	4	109.4709	0.418	46	109.4768	0.272	148	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2{1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(SC[6a]OO){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6550	0.038	2	109.5233	0.024	4	109.4709	0.418	46	109.4768	0.272	148	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6]HH)(SCOO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(H)2{1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6]HH)(SCOO){2|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	109.1875	1.348	4	109.1875	1.818	4	109.4709	0.418	46	109.4768	0.272	148	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SCOO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CC)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SCOO){2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.7380	0.000	1	109.7380	0.000	1	109.4709	0.418	46	109.4768	0.272	148	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]S)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CC)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.1120	0.000	1	109.1120	0.000	1	109.4709	0.418	46	109.4768	0.272	148	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4480	0.244	3	109.3413	0.030	9	109.4709	0.418	46	109.4768	0.272	148	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|Br<1>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4280	0.035	2	109.3413	0.030	9	109.4709	0.418	46	109.4768	0.272	148	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2180	0.043	4	109.3413	0.030	9	109.4709	0.418	46	109.4768	0.272	148	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.1070	0.000	1	109.1070	0.000	1	109.4709	0.418	46	109.4768	0.272	148	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7460	0.000	1	108.8798	1.795	5	109.4709	0.418	46	109.4768	0.272	148	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	107.6005	1.313	2	108.8798	1.795	5	109.4709	0.418	46	109.4768	0.272	148	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{2|H<1>,3|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7260	0.045	2	108.8798	1.795	5	109.4709	0.418	46	109.4768	0.272	148	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8905	0.129	4	109.8905	0.017	4	109.4709	0.418	46	109.4768	0.272	148	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3590	0.021	2	109.4217	0.004	6	109.4709	0.418	46	109.4768	0.272	148	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|F<1>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4070	0.017	2	109.4217	0.004	6	109.4709	0.418	46	109.4768	0.272	148	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4990	0.027	2	109.4217	0.004	6	109.4709	0.418	46	109.4768	0.272	148	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5660	0.017	2	109.5660	0.000	2	109.4709	0.418	46	109.4768	0.272	148	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]SiH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]SiH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|Si<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4310	0.065	2	109.4310	0.004	2	109.4709	0.418	46	109.4768	0.272	148	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]N[6]H)	110.2075	0.005	2	110.2075	0.000	2	109.4709	0.418	46	109.4768	0.272	148	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(SC[6]OO){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	110.0935	0.066	2	110.0935	0.004	2	109.4709	0.418	46	109.4768	0.272	148	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	Nb[6]-4:C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(N[6]Nb[6]Si)(H)2	N[6](Nb[6]N[6]CN)(C[6]C[6]HH)(SiC3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]C)(N[6]Nb[6]Si)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|N<2>}	N[6](Nb[6]N[6]CN)(C[6]C[6]HH)(SiC3){1|Si<4>,1|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	107.8868	0.216	4	107.8868	0.047	4	107.8868	0.047	4	109.4768	0.272	148	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	P-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	N[6](PC[6a]N[6]C)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	N[6](PC[6a]N[6]C)(C[6]C[6]HH)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	108.7322	0.754	4	108.7322	0.568	4	108.7322	0.568	4	109.4768	0.272	148	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]FF)(N[6]C[6]H)(OC)(H)	N[6](C[6]C[6,6a]O)(C[6]C[6]HO)(H)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6,6a]FF)(N[6]C[6]H)(OC)(H){1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]HO)(H){2|C<3>,2|F<1>}	H(C[6]C[6]N[6]O)	109.5885	0.129	2	109.5885	0.017	2	109.1059	0.164	7	109.1059	0.164	7	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:2:1:	3:4:1:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5a,6]CH)(N[6]C[6]H)(OC)(H)	N[6](C[6]C[5a,6]O)(C[6]C[6]HO)(H)	H(C[6]C[6]N[6]O)	C[6](C[6]N[5a,6]CH)(N[6]C[6]H)(OC)(H){1|O<1>,2|C<3>}	N[6](C[6]C[5a,6]O)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6]O)	108.9128	0.281	5	108.9128	0.079	5	109.1059	0.164	7	109.1059	0.164	7	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:2:1:	3:4:2:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(OC)(H)	N[6](C[6]C[6,6a]O)(C[6]C[6]HO)(OC)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(OC)(H){1|O<1>,4|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]HO)(OC){1|C<4>,3|C<3>}	H(C[6]C[6]N[6]O)	109.1190	0.000	1	109.1190	0.000	1	109.1190	0.000	1	109.1190	0.000	1	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:2:1:	3:4:3:	4:	C[3,6]-4:N[6]-3:C-2:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[3,6]C[3,6]N[3]H)(N[6]C[6,6a]C)(CN)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]CH)(CC[6a]O)	H(C[6]C[3,6]N[6]C)	C[6](C[3,6]C[3,6]N[3]H)(N[6]C[6,6a]C)(CN)(H){1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]CH)(CC[6a]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[3,6]N[6]C)	106.1640	0.000	1	106.1640	0.000	1	106.1640	0.000	1	105.5845	0.672	2	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:2:1:	3:4:3:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(OH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(OH)(H){1|C<4>,1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]O)	105.0050	0.000	1	105.0050	0.000	1	105.0050	0.000	1	105.5845	0.672	2	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:2:1:	3:4:4:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(OH)(H)	N[6](C[6]C[6,6]O)(C[6]C[6]HO)(CC[6a]HH)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]HO)(CC[6a]HH){1|C<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]O)	108.5160	0.000	1	108.5160	0.000	1	108.5160	0.000	1	106.3233	8.046	4	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:2:1:	3:4:4:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(OC)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]HO)(SC[6a]OO)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6]HH)(N[6]C[6]S)(OC)(H){1|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]HO)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]O)	102.6730	0.000	1	102.6730	0.000	1	105.6485	17.707	2	106.3233	8.046	4	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:2:1:	3:4:4:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(OSi)(H)	N[6](C[6]C[5,6]O)(C[6]C[6]HO)(SC[6a]OO)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6]HH)(N[6]C[6]S)(OSi)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]HO)(SC[6a]OO){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]O)	108.6240	0.000	1	108.6240	0.000	1	105.6485	17.707	2	106.3233	8.046	4	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:2:1:	3:4:4:	4:	C[6]-4:N[6]-3:S-2:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]C)(SC[6a])(H)	N[6](C[6]C[6,6a]O)(C[6]C[6]HS)(CC[6a]HH)	H(C[6]C[6]N[6]S)	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]C)(SC[6a])(H){1|O<1>,4|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]HS)(CC[6a]HH){1|C<4>,3|C<3>}	H(C[6]C[6]N[6]S)	105.4800	0.000	1	105.4800	0.000	1	105.4800	0.000	1	106.3233	8.046	4	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:2:1:	4:2:3:	4:	C[5,6]-4:N[6]-3:O-2:H-1:	C[6]-4:N[6]-2:C-3:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6a]H)(N[6]N[6]C)(OC)(H)	N[6](C[6]C[5,6]HO)(N[6]C[5,6])(CCO)	H(C[6]C[5,6]N[6]O)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(N[6]N[6]C)(OC)(H){1|N<3>,4|C<3>}	N[6](C[6]C[5,6]HO)(N[6]C[5,6])(CCO){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[5,6]N[6]O)	108.9000	0.000	1	108.9000	0.000	1	108.9000	0.000	1	109.3895	0.479	2	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:2:1:	4:2:3:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:N[6]-2:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]N[6]C)(OC)(H)	N[6](C[6]C[6]HO)(N[6]C[6])(CC[6a]O)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6]HH)(N[6]N[6]C)(OC)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]HO)(N[6]C[6])(CC[6a]O){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]O)	109.8790	0.000	1	109.8790	0.000	1	109.8790	0.000	1	109.3895	0.479	2	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:2:1:	4:3:1:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]Cl2)(N[6]C[6]H)(OH)(H)	N[6](C[6]C[6]HO)(C[6]N[6]O)(H)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6]Cl2)(N[6]C[6]H)(OH)(H){1|N<3>,2|O<1>}	N[6](C[6]C[6]HO)(C[6]N[6]O)(H){2|Cl<1>,1|C<3>,1|H<1>}	H(C[6]C[6]N[6]O)	110.0130	0.000	1	110.0130	0.000	1	110.0130	0.000	1	110.0130	0.000	1	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:N[6]-3:C-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]N)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]N){1|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	107.9730	0.000	1	107.9730	0.000	1	107.7857	0.633	3	108.3755	1.814	4	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:N[6]-3:C-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO){1|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	108.4710	0.000	1	108.4710	0.000	1	107.7857	0.633	3	108.3755	1.814	4	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:N[6]-3:C-2:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(CC)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CC)(H){1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]C)	106.9130	0.000	1	106.9130	0.000	1	107.7857	0.633	3	108.3755	1.814	4	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C[6]-3:S-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(OC)(H)	N[6](C[6]C[6]HO)(C[6]C[6]C)(SCO)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6]HH)(N[6]C[6]S)(OC)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6]HO)(C[6]C[6]C)(SCO){1|C<4>,3|H<1>}	H(C[6]C[6]N[6]O)	110.1450	0.000	1	110.1450	0.000	1	110.1450	0.000	1	108.3755	1.814	4	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:2:1:	4:3:4:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]C)(OH)(H)	N[6](C[6]C[6]HO)(C[6]N[6]O)(CH3)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6]CC)(N[6]C[6]C)(OH)(H){1|N<3>,2|O<1>}	N[6](C[6]C[6]HO)(C[6]N[6]O)(CH3){1|C<3>,3|C<4>}	H(C[6]C[6]N[6]O)	108.9710	0.000	1	108.9710	0.000	1	107.5084	4.996	5	107.5084	4.996	5	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:2:1:	4:3:4:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(OH)(H)	N[6](C[6]C[6]HO)(C[6]C[6]O)(CC[6a]HH)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6]HO)(N[6]C[6]C)(OH)(H){1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HO)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]O)	107.4520	0.000	1	107.4520	0.000	1	107.5084	4.996	5	107.5084	4.996	5	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:2:1:	4:3:4:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(OC)(H)	N[6](C[6]C[6]HO)(C[6]C[6]O)(CH3)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(OC)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[6](C[6]C[6]HO)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]O)	108.7265	0.333	2	108.7265	0.111	2	107.5084	4.996	5	107.5084	4.996	5	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:2:1:	4:3:4:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(OH)(H)	N[6](C[6]C[6]HO)(C[6]C[6]H)(CC[6a]HH)	H(C[6]C[6]N[6]O)	C[6](C[6]N[6]HH)(N[6]C[6]C)(OH)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6]HO)(C[6]C[6]H)(CC[6a]HH){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]O)	103.6660	0.000	1	103.6660	0.000	1	107.5084	4.996	5	107.5084	4.996	5	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:2:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-2:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(CN)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CN)(H){1|C<4>,1|W<7>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|C<3>,1|C<4>,1|W<7>,2|H<1>}	H(C[6]C[6]N[6]C)	106.8950	0.000	1	107.1095	0.092	2	107.1095	0.092	2	108.3149	1.046	7	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:2:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-2:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(CN)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CN)(H){1|C<4>,1|W<7>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|W<7>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.3240	0.000	1	107.1095	0.092	2	107.1095	0.092	2	108.3149	1.046	7	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:2:1:	4:4:3:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]2H)(N[6]C[6]C)(OH)(H)	N[6](C[6]C[6]2H)(C[6]C[6]HO)(COO)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6]2H)(N[6]C[6]C)(OH)(H){1|N<3>,3|C<4>,4|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HO)(COO){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]N[6]O)	107.6510	0.000	1	107.6510	0.000	1	108.7970	0.529	5	108.3149	1.046	7	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:2:1:	4:4:3:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HO)(N[6]C[6]C)(OC)(H)	N[6](C[6]C[6]HO)2(CHO)	H(C[6]C[6]N[6]O)	C[6](C[6]N[6]HO)(N[6]C[6]C)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[6](C[6]C[6]HO)2(CHO){1|N<3>,2|H<1>,2|O<2>}	H(C[6]C[6]N[6]O)	109.0835	0.397	4	109.0835	0.158	4	108.7970	0.529	5	108.3149	1.046	7	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	3:4:1:	4:	C[5,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	H(C[6]C[5,6]C[6a]N[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H){4|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6a]N[6])	108.6590	0.000	1	108.6590	0.000	1	108.6590	0.000	1	108.2022	0.419	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	3:4:1:	4:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(N[6]C[5a,6]H)(C[6a]C[6a]2)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)(H)	H(C[6]C[5,6]C[6a]N[6])	C[6](C[5,6]C[5]2C[6])(N[6]C[5a,6]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,2|O<1>,3|C<3>,4|H<1>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)(H){1|C<4>,1|N<2>,6|C<3>}	H(C[6]C[5,6]C[6a]N[6])	107.4430	0.000	1	107.4430	0.000	1	107.4430	0.000	1	108.2022	0.419	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	3:4:1:	4:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	H(C[6]C[5,6]C[6a]N[6])	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|Br<1>,4|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]N[6])	108.6510	0.000	1	108.4345	0.093	10	108.2458	0.274	12	108.2022	0.419	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	3:4:1:	4:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	H(C[6]C[5,6]C[6a]N[6])	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]N[6])	108.4680	0.194	2	108.4345	0.093	10	108.2458	0.274	12	108.2022	0.419	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	3:4:1:	4:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	H(C[6]C[5,6]C[6a]N[6])	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6a]N[6])	108.6320	0.000	1	108.4345	0.093	10	108.2458	0.274	12	108.2022	0.419	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	3:4:1:	4:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	H(C[6]C[5,6]C[6a]N[6])	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]N[6])	108.3522	0.316	4	108.4345	0.093	10	108.2458	0.274	12	108.2022	0.419	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	3:4:1:	4:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	H(C[6]C[5,6]C[6a]N[6])	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){5|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){1|Br<1>,1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[5,6]C[6a]N[6])	107.9270	0.000	1	108.4345	0.093	10	108.2458	0.274	12	108.2022	0.419	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	3:4:1:	4:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	H(C[6]C[5,6]C[6a]N[6])	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){5|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]N[6])	108.7900	0.000	1	108.4345	0.093	10	108.2458	0.274	12	108.2022	0.419	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	3:4:1:	4:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[6a]O[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	H(C[6]C[5,6]C[6a]N[6])	C[6](C[5,6]C[5,6]C[6a]O[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,7|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){1|C<4>,1|O<2>,6|C<3>}	H(C[6]C[5,6]C[6a]N[6])	107.4450	0.000	1	107.3020	0.041	2	108.2458	0.274	12	108.2022	0.419	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	3:4:1:	4:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[6a]O[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	H(C[6]C[5,6]C[6a]N[6])	C[6](C[5,6]C[5,6]C[6a]O[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){1|C<4>,1|O<2>,6|C<3>}	H(C[6]C[5,6]C[6a]N[6])	107.1590	0.000	1	107.3020	0.041	2	108.2458	0.274	12	108.2022	0.419	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	3:4:1:	4:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]N[6])	108.7845	0.054	2	108.3764	0.306	9	108.2827	0.422	11	108.2022	0.419	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	3:4:1:	4:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6a]N[6])	108.0500	0.000	1	108.3764	0.306	9	108.2827	0.422	11	108.2022	0.419	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	3:4:1:	4:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]N[6])	108.5645	0.368	4	108.3764	0.306	9	108.2827	0.422	11	108.2022	0.419	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	3:4:1:	4:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]N[6])	108.3400	0.000	1	108.3764	0.306	9	108.2827	0.422	11	108.2022	0.419	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	3:4:1:	4:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]N[6])	107.1710	0.000	1	108.3764	0.306	9	108.2827	0.422	11	108.2022	0.419	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	3:4:1:	4:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]N)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]N)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){2|C<4>,4|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	H(C[6]C[6,6]C[6a]N[6])	107.0410	0.000	1	107.0410	0.000	1	108.2827	0.422	11	108.2022	0.419	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	3:4:1:	4:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6]2O[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	H(C[6]C[6,6]C[6a]N[6])	108.6810	0.000	1	108.6810	0.000	1	108.2827	0.422	11	108.2022	0.419	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	3:4:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(N[6]C[6]H)(COO)(H)	N[6](C[6]C[5,6]H)(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[5,6]C[6a]H)(N[6]C[6]H)(COO)(H){1|H<1>,4|C<3>}	N[6](C[6]C[5,6]H)(C[6]C[6]CH)(H){1|H<1>,3|C<3>}	H(C[6]C[6]N[6]C)	107.8280	0.000	1	107.8280	0.000	1	107.7519	0.259	7	108.2022	0.419	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	3:4:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H)	N[6](C[6]C[5a,6]N)(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H){1|N<3>,2|C<3>}	N[6](C[6]C[5a,6]N)(C[6]C[6]CH)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]C)	108.0420	0.000	1	108.0420	0.000	1	107.7519	0.259	7	108.2022	0.419	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	3:4:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H)	N[6](C[6]C[5a,6]O)(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H){1|O<1>,2|C<3>}	N[6](C[6]C[5a,6]O)(C[6]C[6]CH)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]C)	107.6650	0.758	2	107.6650	0.575	2	107.7519	0.259	7	108.2022	0.419	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	3:4:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(COO)(H)	N[6](C[6]C[6,6a]N)(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(COO)(H){1|N<3>,2|C<3>}	N[6](C[6]C[6,6a]N)(C[6]C[6]CH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	106.9320	0.000	1	106.9320	0.000	1	107.7519	0.259	7	108.2022	0.419	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	3:4:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(COO)(H)	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(COO)(H){1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	108.0655	0.060	2	108.0655	0.004	2	107.7519	0.259	7	108.2022	0.419	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	3:4:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-3:C[6]-4:O-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(COO)(H)	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]CH)(O)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(COO)(H){3|C<3>}	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]CH)(O){2|H<1>,4|C<3>}	H(C[6]C[6]N[6]C)	108.6070	0.000	1	108.6070	0.000	1	108.6070	0.000	1	108.2022	0.419	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	3:4:1:	4:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|N<2>,3|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|N<3>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.7150	0.000	1	108.9040	1.061	3	108.6123	1.047	4	108.2022	0.419	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	3:4:1:	4:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|N<3>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	109.4985	0.021	2	108.9040	1.061	3	108.6123	1.047	4	108.2022	0.419	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	3:4:1:	4:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]O[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.7370	0.000	1	107.7370	0.000	1	108.6123	1.047	4	108.2022	0.419	37	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	3:4:3:	4:	C[5,6]-4:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6,6a]C)(COO)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(CCO)	H(C[6]C[5,6]N[6]C)	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6,6a]C)(COO)(H){2|C<3>,2|H<1>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(CCO){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]N[6]C)	107.0050	0.000	1	107.0050	0.000	1	107.0050	0.000	1	107.1074	0.303	9	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	3:4:3:	4:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(CCO)	H(C[6]C[5,6]C[6a]N[6])	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(CCO){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]N[6])	106.2050	0.000	1	106.2050	0.000	1	106.2050	0.000	1	107.1074	0.303	9	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	3:4:3:	4:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(CCO)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,3|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(CCO){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]N[6])	107.9300	0.000	1	107.9300	0.000	1	107.1695	0.382	4	107.1074	0.303	9	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	3:4:3:	4:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(COO)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(COO){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]N[6])	106.9160	0.433	3	106.9160	0.188	3	107.1695	0.382	4	107.1074	0.303	9	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	3:4:3:	4:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[5,6]O)(N[6]C[6]2)(H)	N[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]N[6]H)	H(C[6]C[6]2N[6])	C[6](C[6]C[5,6]HH)(C[6]N[5,6]O)(N[6]C[6]2)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	N[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]N[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6]2N[6])	107.1670	0.000	1	107.1670	0.000	1	107.1670	0.000	1	107.1074	0.303	9	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	3:4:3:	4:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]B[5]C[6]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]B[5]C[6]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){2|O<2>,4|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO){1|B<3>,1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.7640	0.000	1	107.7640	0.000	1	107.4560	0.190	2	107.1074	0.303	9	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	3:4:3:	4:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO){2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	107.1480	0.000	1	107.1480	0.000	1	107.4560	0.190	2	107.1074	0.303	9	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	3:4:4:	4:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(CH3)	H(C[6]C[5,6]C[6a]N[6])	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(CH3){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	H(C[6]C[5,6]C[6a]N[6])	106.7800	0.000	1	106.7800	0.000	1	106.7800	0.000	1	107.8277	0.354	6	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	3:4:4:	4:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]S)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(SC[6a]OO)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]S)(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,4|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(SC[6a]OO){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]N[6])	108.1750	0.000	1	108.1750	0.000	1	107.8290	0.239	2	107.8277	0.354	6	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	3:4:4:	4:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6]C[6,6a]S)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(SC[6a]OO)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6]C[6,6a]S)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(SC[6a]OO){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]N[6])	107.4830	0.000	1	107.4830	0.000	1	107.8290	0.239	2	107.8277	0.354	6	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	3:4:4:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HN)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CCHH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HN)(N[6]C[6]C)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(CCHH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]N[6]C)	108.3680	0.000	1	108.3680	0.000	1	108.3680	0.000	1	107.8277	0.354	6	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	3:4:4:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(CCC)(H)	N[6](C[6]C[6,6]H)(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(CCC)(H){1|C<3>,1|O<2>,2|H<1>}	N[6](C[6]C[6,6]H)(C[6]C[6]CH)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	108.1600	0.000	1	108.1600	0.000	1	108.0800	0.013	2	107.8277	0.354	6	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	3:4:4:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(CCH)(H)	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(CCH)(H){1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(SC[6a]OO){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	108.0000	0.000	1	108.0000	0.000	1	108.0800	0.013	2	107.8277	0.354	6	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:2:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:N[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]N[6]H)(COO)(H)	N[6](C[6]C[6]CH)(N[6]C[6])(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]O[6]H)(N[6]N[6]H)(COO)(H){3|C<3>}	N[6](C[6]C[6]CH)(N[6]C[6])(H){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]N[6]C)	107.2070	0.000	1	107.2070	0.000	1	107.2070	0.000	1	107.2070	0.000	1	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:2:3:	4:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-2:C-3:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]N[6]O)(N[6]N[6]C)(H)	N[6](C[6]C[6]2H)(N[6]C[6])(CCO)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]2H)(C[6]N[6]O)(N[6]N[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6]2H)(N[6]C[6])(CCO){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	H(C[6]C[6]2N[6])	106.2280	0.000	1	106.2280	0.000	1	106.2280	0.000	1	106.2280	0.000	1	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:1:	4:	C-4:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](CC[5,5]HH)(C[6]N[6]O)(N[6]C[6]H)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6]N[6]C)	C[6](CC[5,5]HH)(C[6]N[6]O)(N[6]C[6]H)(H){1|O<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]C)	103.9005	0.121	2	103.9005	0.015	2	103.9005	0.015	2	107.7742	3.748	22	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:1:	4:	C[3,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[3,6]C[6,6a]C[3]2)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[3,6]C[6a]H)(C[6]C[6,6a]O)(H)	H(C[6]C[3,6]C[6a]N[6])	C[6](C[3,6]C[6,6a]C[3]2)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,4|C<3>,6|H<1>}	N[6](C[6]C[3,6]C[6a]H)(C[6]C[6,6a]O)(H){2|C<4>,4|C<3>}	H(C[6]C[3,6]C[6a]N[6])	107.0360	0.202	2	107.0360	0.041	2	107.0360	0.041	2	107.7742	3.748	22	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(H)	H(C[6]C[5,6]C[6a]N[6])	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	N[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(H){2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6a]N[6])	107.0050	0.000	1	107.0050	0.000	1	107.0050	0.000	1	107.7742	3.748	22	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,3|H<1>,3|N<3>,4|C<3>}	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6a]N[6])	107.3100	1.223	2	107.3100	1.496	2	107.7652	1.461	4	107.7742	3.748	22	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]S)(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|O<2>,4|H<1>}	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]S)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6a]N[6])	109.2350	0.000	1	109.2350	0.000	1	107.7652	1.461	4	107.7742	3.748	22	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:1:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|N<2>,2|N<3>,3|C<3>,3|H<1>,3|O<1>}	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(H){1|C<4>,4|C<3>}	H(C[6]C[6,6]C[6a]N[6])	107.2060	0.000	1	107.2060	0.000	1	107.7652	1.461	4	107.7742	3.748	22	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	108.8880	0.000	1	108.8880	0.000	1	108.3101	0.648	7	107.7742	3.748	22	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(H){2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.7498	0.534	4	107.7498	0.285	4	108.3101	0.648	7	107.7742	3.748	22	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,3|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	109.1420	0.243	2	109.1420	0.059	2	108.3101	0.648	7	107.7742	3.748	22	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(COO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]H)(COO)(H){1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]C)	108.5580	0.000	1	108.5580	0.000	1	108.8203	6.021	6	107.7742	3.748	22	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(COO)(H)	N[6](C[6]C[6]CH)(C[6]N[6]C)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]H)(COO)(H){1|C<4>,1|N<3>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]N[6]C)(H){1|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	108.1220	0.298	3	108.1220	0.089	3	108.8203	6.021	6	107.7742	3.748	22	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(COO)(H)	N[6](C[6]C[6]CH)(C[6]N[6]O)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]H)(COO)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]N[6]O)(H){1|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	109.9990	5.061	2	109.9990	25.618	2	108.8203	6.021	6	107.7742	3.748	22	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:3:	4:	C[4,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[4,6]C[4,6a]C[4,6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]C[4,6]C[6a]H)(C[6]C[6a]C[6])(CC[6a]C)	H(C[6]C[4,6]C[6a]N[6])	C[6](C[4,6]C[4,6a]C[4,6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|N<3>,2|H<1>,6|C<3>}	N[6](C[6]C[4,6]C[6a]H)(C[6]C[6a]C[6])(CC[6a]C){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[4,6]C[6a]N[6])	107.5410	0.000	1	107.5410	0.000	1	107.5410	0.000	1	107.6557	1.244	16	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(N[6]C[6a]C[6])(COO)(H)	N[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]O)	H(C[6]C[5,6]N[6]C)	C[6](C[5,6]C[5]2C[6])(N[6]C[6a]C[6])(COO)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|O<1>,4|C<3>}	N[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[5,6]N[6]C)	107.8890	0.000	1	107.8890	0.000	1	107.8890	0.000	1	107.6557	1.244	16	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])(COO)(H)	N[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]O)	H(C[6]C[6,6]N[6]C)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6a]C[6])(COO)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	N[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]O){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]N[6]C)	108.0450	0.000	1	108.0450	0.000	1	108.0450	0.000	1	107.6557	1.244	16	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	N[6](C[6]C[6,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]O)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|H<1>,2|O<1>,5|C<3>}	N[6](C[6]C[6,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]O){1|N<3>,5|C<3>,5|H<1>}	H(C[6]C[6,6]C[6a]N[6])	107.8360	0.398	3	107.8360	0.158	3	107.8360	0.158	3	107.6557	1.244	16	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]H)(N[6]C[6]2)(H)	N[6](C[6]C[6]2H)(C[6]C[6]H)2	H(C[6]C[6]2N[6])	C[6](C[6]C[6]BrH)(C[6]C[6]H)(N[6]C[6]2)(H){1|C<4>,2|C<3>,5|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]H)2{1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2N[6])	108.6720	0.000	1	108.6720	0.000	1	108.6720	0.000	1	107.6557	1.244	16	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H){1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]C)	109.2640	0.000	1	108.9980	0.142	2	107.9972	4.369	4	107.6557	1.244	16	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H){1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	108.7320	0.000	1	108.9980	0.142	2	107.9972	4.369	4	107.6557	1.244	16	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HW)(N[6]C[6]C)(CCC)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HW)(N[6]C[6]C)(CCC)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCO){1|C<4>,1|W<7>,2|H<1>}	H(C[6]C[6]N[6]C)	104.8800	0.000	1	104.8800	0.000	1	107.9972	4.369	4	107.6557	1.244	16	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HW)(N[6]C[6]C)(CNO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HW)(N[6]C[6]C)(CNO)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCO){1|C<4>,1|W<7>,2|H<1>}	H(C[6]C[6]N[6]C)	109.1130	0.000	1	109.1130	0.000	1	107.9972	4.369	4	107.6557	1.244	16	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:N[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]N[6]C)(CC[6a]C)(H)	N[6](C[6]C[6]CH)(N[6]C[6]C)(COO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]N[6]C)(CC[6a]C)(H){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(N[6]C[6]C)(COO){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	107.5090	0.000	1	107.5090	0.000	1	107.5090	0.000	1	107.6557	1.244	16	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:N[6]-3:C[5a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-4:	C[6](C[6]N[5a,6]CH)(N[6]C[6a]C[6])(C[5a]C[5a]2)(H)	N[6](C[6]C[5a]C[6]H)(C[6]C[5a,6]O)(C[6a]C[6a]2)	H(C[6]C[5a]C[6]N[6])	C[6](C[6]N[5a,6]CH)(N[6]C[6a]C[6])(C[5a]C[5a]2)(H){1|O<1>,1|S<2>,2|H<1>,5|C<3>}	N[6](C[6]C[5a]C[6]H)(C[6]C[5a,6]O)(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	H(C[6]C[5a]C[6]N[6])	107.3980	0.000	1	107.3980	0.000	1	107.3980	0.000	1	107.6557	1.244	16	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6,6a]CF)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6a]CF)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,6|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2){1|F<1>,2|H<1>,7|C<3>}	H(C[6]C[6a]C[6]N[6])	106.3390	0.000	1	106.3390	0.000	1	106.6467	0.136	3	107.6557	1.244	16	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-4:	C[6](C[6]N[5a,6]CH)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]O)(C[6a]C[6a]2)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]N[5a,6]CH)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,6|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]O)(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	106.8005	0.361	2	106.8005	0.131	2	106.6467	0.136	3	107.6557	1.244	16	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:4:	4:	C-4:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](CC[6a]ClH)(C[6]O[6]O)(N[6]C[6]C)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]2H)	H(C[6]C[6]N[6]C)	C[6](CC[6a]ClH)(C[6]O[6]O)(N[6]C[6]C)(H){1|C<3>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]2H){1|O<2>,2|O<1>}	H(C[6]C[6]N[6]C)	108.3100	0.000	1	108.3100	0.000	1	108.3100	0.000	1	107.6276	1.047	52	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:4:	4:	C[3,6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[3,6]N[3,6]C[3]H)(N[6]C[6a]C[6])(CNO)(H)	N[6](C[6]C[3,6]CH)(C[6a]C[6a]2)(C[6]C[6]CH)	H(C[6]C[3,6]N[6]C)	C[6](C[3,6]N[3,6]C[3]H)(N[6]C[6a]C[6])(CNO)(H){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[3,6]CH)(C[6a]C[6a]2)(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[3,6]N[6]C)	107.9210	0.000	1	107.9210	0.000	1	107.9210	0.000	1	107.6276	1.047	52	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:4:	4:	C[4]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[4]C[4]2C)(C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[4]C[6]H)(C[6]C[6]O)(CH3)	H(C[6]C[4]C[6]N[6])	C[6](C[4]C[4]2C)(C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	N[6](C[6]C[4]C[6]H)(C[6]C[6]O)(CH3){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[4]C[6]N[6])	107.8930	0.000	1	107.8930	0.000	1	107.8930	0.000	1	107.6276	1.047	52	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:4:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(CCHH)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|H<1>,2|O<1>,3|C<3>}	N[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(CCHH){1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6a]N[6])	108.0560	0.000	1	108.0560	0.000	1	108.0560	0.000	1	107.6276	1.047	52	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:4:	4:	C[6,6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(CCH)(H)	N[6](C[6]C[6,6]CH)(C[6]O[6]O)(SC[6a]OO)	H(C[6]C[6,6]N[6]C)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(CCH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	N[6](C[6]C[6,6]CH)(C[6]O[6]O)(SC[6a]OO){1|H<1>,2|C<4>}	H(C[6]C[6,6]N[6]C)	108.3800	0.000	1	108.3800	0.000	1	108.3800	0.000	1	107.6276	1.047	52	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:4:	4:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6]2H)(C[6]C[6]O)(CH3)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]2H)(C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|N<3>,2|O<1>,3|C<4>}	N[6](C[6]C[6]2H)(C[6]C[6]O)(CH3){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2N[6])	106.1780	2.391	2	106.1780	5.719	2	106.1780	5.719	2	107.6276	1.047	52	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:4:	4:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]2)(N[6]C[6]S)(H)	N[6](C[6]C[6]2H)(C[6]C[6]H)(SC[6]OO)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HH)(C[6]C[6]2)(N[6]C[6]S)(H){1|C<2>,1|O<1>,2|C<3>,3|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]H)(SC[6]OO){3|C<3>,3|H<1>}	H(C[6]C[6]2N[6])	104.5580	0.000	1	104.5580	0.000	1	104.5580	0.000	1	107.6276	1.047	52	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:4:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CCCH)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CCCH){1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.4250	0.000	1	107.4250	0.000	1	107.2329	0.395	14	107.6276	1.047	52	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:4:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CCHH)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CCHH){1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	106.8230	0.000	1	106.8230	0.000	1	107.2329	0.395	14	107.6276	1.047	52	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:4:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CH3)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CH3){1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.2630	0.000	1	107.2630	0.000	1	107.2329	0.395	14	107.6276	1.047	52	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:4:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CH3)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<1>,2|H<1>,6|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CH3){1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	106.9490	0.920	3	106.9490	0.847	3	107.2329	0.395	14	107.6276	1.047	52	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:4:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CH3)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CH3){1|H<1>,2|N<3>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.3680	0.986	2	107.3680	0.972	2	107.2329	0.395	14	107.6276	1.047	52	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:4:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.8933	0.077	3	107.8933	0.006	3	107.2329	0.395	14	107.6276	1.047	52	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:4:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[5a,6]CH)(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]O)(CCHH)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]N[5a,6]CH)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]O)(CCHH){1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	106.8290	0.293	3	106.8290	0.086	3	107.2329	0.395	14	107.6276	1.047	52	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:4:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(SCOO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6]S)(H){1|O<1>,2|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(SCOO){1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.4840	0.000	1	107.4840	0.000	1	107.7350	0.389	7	107.6276	1.047	52	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:4:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(SC[6a]OO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6]S)(H){1|O<1>,2|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(SC[6a]OO){1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.0775	0.196	2	107.0775	0.038	2	107.7350	0.389	7	107.6276	1.047	52	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:4:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(SC[6a]OO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(N[6]C[6]S)(H){1|O<1>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(SC[6a]OO){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6a]C[6]N[6])	107.7175	0.257	2	108.1265	0.251	4	107.7350	0.389	7	107.6276	1.047	52	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:4:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(SC[6a]OO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(N[6]C[6]S)(H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(SC[6a]OO){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6a]C[6]N[6])	108.5355	0.135	2	108.1265	0.251	4	107.7350	0.389	7	107.6276	1.047	52	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:4:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(COO)(H){1|C<4>,1|O<1>,2|C<3>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]HH){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	108.4520	0.000	1	108.4520	0.000	1	108.1375	0.359	4	107.6276	1.047	52	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:4:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H){1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[5a]HH){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	108.4870	0.000	1	108.4870	0.000	1	108.1375	0.359	4	107.6276	1.047	52	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:4:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]S)(CC[6a]CH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H){1|H<1>,1|S<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]S)(CC[6a]CH){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	108.3690	0.000	1	108.3690	0.000	1	108.1375	0.359	4	107.6276	1.047	52	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:4:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(N[6]C[6]C)(CNO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]C[6]O)(N[6]C[6]C)(CNO)(H){1|O<1>,4|C<3>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CCHH){1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6]N[6]C)	107.2420	0.000	1	107.2420	0.000	1	108.1375	0.359	4	107.6276	1.047	52	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:4:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCC)(H)	N[6](C[6]C[6]CH)(C[6]O[6]O)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCC)(H){1|O<1>,1|O<2>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]O[6]O)(SC[6a]OO){1|Br<1>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]C)	108.6720	0.000	1	108.6720	0.000	1	108.4571	0.276	13	107.6276	1.047	52	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:4:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCH)(H)	N[6](C[6]C[6]CH)(C[6]O[6]O)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCH)(H){1|O<1>,1|O<2>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]O[6]O)(SC[6a]OO){1|Br<1>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]C)	108.8276	0.216	5	108.8276	0.047	5	108.4571	0.276	13	107.6276	1.047	52	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:4:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCH)(H){1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO){2|H<1>,3|C<4>}	H(C[6]C[6]N[6]C)	107.8330	0.000	1	107.9950	0.052	2	108.4571	0.276	13	107.6276	1.047	52	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:4:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCH)(H){1|H<1>,1|O<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	108.1570	0.000	1	107.9950	0.052	2	108.4571	0.276	13	107.6276	1.047	52	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:4:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCH)(H)	N[6](C[6]C[6]CH)(C[6]O[6]O)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[6](C[6]C[6]CH)(C[6]O[6]O)(SC[6a]OO){1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	108.6130	0.327	2	108.6130	0.107	2	108.4571	0.276	13	107.6276	1.047	52	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:4:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCS)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCS)(H){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(SC[6a]OO){1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[6]N[6]C)	108.4580	0.000	1	108.4580	0.000	1	108.4571	0.276	13	107.6276	1.047	52	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:4:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(COO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(COO)(H){1|O<1>,2|C<3>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(SC[6a]OO){1|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	107.1400	0.000	1	107.1400	0.000	1	108.4571	0.276	13	107.6276	1.047	52	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:4:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6]C[6]HI)(N[6]C[6]S)(CCH)(H)	N[6](C[6]C[6]CH)(C[6]N[6]O)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HI)(N[6]C[6]S)(CCH)(H){1|N<3>,1|O<1>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]N[6]O)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>,1|I<1>}	H(C[6]C[6]N[6]C)	108.3180	0.000	1	108.3180	0.000	1	108.4571	0.276	13	107.6276	1.047	52	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:4:	4:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]C)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]O[6]C)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH){2|O<2>,3|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	105.6960	0.000	2	105.6960	0.000	2	106.3405	0.554	4	107.6276	1.047	52	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:4:	4:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]C)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]O[6]C)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|O<2>,3|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	106.9850	0.000	2	106.9850	0.000	2	106.3405	0.554	4	107.6276	1.047	52	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:3:4:	4:	C[6]-4:N[6]-3:N-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(NCH)(H)	N[6](C[6]C[6]HN)(C[6]C[6]O)(CC[6a]HH)	H(C[6]C[6]N[6]N)	C[6](C[6]C[6]HO)(N[6]C[6]C)(NCH)(H){1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HN)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]N)	107.9505	0.291	2	107.9505	0.084	2	107.9505	0.084	2	107.6276	1.047	52	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[5,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6,6]CH)(H)	H(C[6]C[5,6]C[6a]N[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,4|H<1>,5|C<3>}	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6,6]CH)(H){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[5,6]C[6a]N[6])	107.6210	0.000	1	107.6210	0.000	1	107.6210	0.000	1	108.0906	0.207	12	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6]C[6a]H)2(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|N<2>,2|C<4>,3|C<3>,5|H<1>}	N[6](C[6]C[6,6]C[6a]H)2(H){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]N[6])	108.0265	0.047	2	107.9884	0.028	8	107.9884	0.028	8	108.0906	0.207	12	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6]C[6a]H)2(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	N[6](C[6]C[6,6]C[6a]H)2(H){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]N[6])	107.9458	0.232	4	107.9884	0.028	8	107.9884	0.028	8	108.0906	0.207	12	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6]C[6a]H)2(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	N[6](C[6]C[6,6]C[6a]H)2(H){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]N[6])	108.0355	0.134	2	107.9884	0.028	8	107.9884	0.028	8	108.0906	0.207	12	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5,6]C[6]2)(N[6]C[6]H)(COO)(H)	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6,6]CH)(H)	H(C[6]C[6,6]N[6]C)	C[6](C[6,6]C[5,6]C[6]2)(N[6]C[6]H)(COO)(H){2|C<3>,3|C<4>,5|H<1>}	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6,6]CH)(H){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6,6]N[6]C)	107.9210	0.000	1	107.9210	0.000	1	107.9210	0.000	1	108.0906	0.207	12	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6]H)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6]H)(H){2|C<4>,4|C<3>,5|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H){1|N<4>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	109.4050	0.000	1	109.4050	0.000	1	109.4050	0.000	1	108.0906	0.207	12	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]H)(COO)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CH)(N[6]C[6]H)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H){2|H<1>,5|C<3>}	H(C[6]C[6]N[6]C)	108.2330	0.000	1	108.2330	0.000	1	108.2330	0.000	1	108.0906	0.207	12	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:4:2:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]N)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6]H)(NO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]N)(H){1|N<2>,3|H<1>,4|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6]H)(NO){2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	107.7350	0.000	1	107.7350	0.000	1	107.1744	0.237	11	107.1744	0.237	11	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:4:2:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H)	N[6](C[6]C[6a]C[6]H)2(NO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6]H)2(NO){2|H<1>,7|C<3>}	H(C[6]C[6a]C[6]N[6])	107.1945	0.363	2	107.1183	0.225	10	107.1744	0.237	11	107.1744	0.237	11	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:4:2:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H)	N[6](C[6]C[6a]C[6]H)2(NO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6]H)2(NO){2|H<1>,7|C<3>}	H(C[6]C[6a]C[6]N[6])	106.7927	0.410	4	107.1183	0.225	10	107.1744	0.237	11	107.1744	0.237	11	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:4:2:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H)	N[6](C[6]C[6a]C[6]H)2(NO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6]H)2(NO){2|H<1>,7|C<3>}	H(C[6]C[6a]C[6]N[6])	107.4510	0.576	2	107.1183	0.225	10	107.1744	0.237	11	107.1744	0.237	11	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:4:2:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H)	N[6](C[6]C[6a]C[6]H)2(NO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6]H)2(NO){2|H<1>,7|C<3>}	H(C[6]C[6a]C[6]N[6])	107.3605	0.537	2	107.1183	0.225	10	107.1744	0.237	11	107.1744	0.237	11	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:4:3:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]C[6,6]C[6a]H)2(CCO)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|S<2>,4|C<3>,6|H<1>}	N[6](C[6]C[6,6]C[6a]H)2(CCO){2|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6,6]C[6a]N[6])	105.6825	0.101	2	105.6825	0.261	6	105.7484	0.224	8	107.2801	1.525	40	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:4:3:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]C[6,6]C[6a]H)2(CCO)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<4>,3|C<3>,7|H<1>}	N[6](C[6]C[6,6]C[6a]H)2(CCO){2|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6,6]C[6a]N[6])	105.6825	0.657	4	105.6825	0.261	6	105.7484	0.224	8	107.2801	1.525	40	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:4:3:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]C[6,6]C[6a]H)2(CC[6a]O)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|S<2>,4|C<3>,6|H<1>}	N[6](C[6]C[6,6]C[6a]H)2(CC[6a]O){2|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6,6]C[6a]N[6])	105.9460	0.403	2	105.9460	0.162	2	105.7484	0.224	8	107.2801	1.525	40	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:4:3:	4:	C[6,6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6a]H)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(COO)	H(C[6]C[6,6]N[6]C)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(N[6]C[6]C)(COO)(H){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]N[6]C)	109.4200	0.000	1	109.4200	0.000	1	109.4200	0.000	1	107.2801	1.525	40	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:4:3:	4:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]O)(N[6]C[6]C)(H)	N[6](C[6]C[6]2H)(C[6]C[6]HH)(COO)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]2H)(C[6]C[6]O)(N[6]C[6]C)(H){1|C<3>,3|C<4>,7|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)(COO){1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]2N[6])	107.9250	0.000	2	107.9250	0.000	2	107.9250	0.000	2	107.2801	1.525	40	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:4:3:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CCO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CCO){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	108.9040	0.000	1	108.6965	0.086	2	107.5340	0.737	7	107.2801	1.525	40	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:4:3:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CCO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|Br<1>,1|C<4>,1|N<4>,2|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CCO){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	108.4890	0.000	1	108.6965	0.086	2	107.5340	0.737	7	107.2801	1.525	40	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:4:3:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6]H)(CCO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|N<2>,3|H<1>,4|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6]H)(CCO){2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	107.3810	0.288	2	107.3810	0.083	2	107.5340	0.737	7	107.2801	1.525	40	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:4:3:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CHO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<4>,3|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CHO){1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	106.5560	0.000	1	106.5560	0.000	1	107.5340	0.737	7	107.2801	1.525	40	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:4:3:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CHO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CHO){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.0720	0.000	1	107.0720	0.000	1	107.5340	0.737	7	107.2801	1.525	40	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:4:3:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,3|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	106.9550	0.000	1	106.9550	0.000	1	107.5340	0.737	7	107.2801	1.525	40	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CNO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CNO)(H){1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	106.8900	0.000	1	106.8900	0.000	1	107.6004	1.267	22	107.2801	1.525	40	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[5a,6]C[5a]H)(C[6]C[6]CH)(CCO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(COO)(H){1|H<1>,3|C<3>}	N[6](C[6]C[5a,6]C[5a]H)(C[6]C[6]CH)(CCO){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	106.4340	0.000	1	106.4340	0.000	1	107.6004	1.267	22	107.2801	1.525	40	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CNO)(H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CNO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CNO)(H){2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CNO){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	108.9260	0.206	2	108.9260	0.043	2	107.6004	1.267	22	107.2801	1.525	40	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CNO)(H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(COO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CNO)(H){2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(COO){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	109.0915	0.268	2	109.0915	0.072	2	107.6004	1.267	22	107.2801	1.525	40	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CCO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(COO)(H){2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CCO){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	108.2590	0.000	1	108.2590	0.000	1	107.6004	1.267	22	107.2801	1.525	40	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]O)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CC)(N[6]C[6]C)(COO)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]O){2|H<1>,3|C<4>}	H(C[6]C[6]N[6]C)	106.0860	0.000	1	106.0860	0.000	1	107.6004	1.267	22	107.2801	1.525	40	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[6a]O)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CH)(N[6]C[6]C)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[6a]O){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]N[6]C)	105.8240	0.000	1	105.8240	0.000	1	107.6004	1.267	22	107.2801	1.525	40	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CHH)(H)	N[6](C[6]C[6]CH)2(CC[6]O)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CHH)(H){2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)2(CC[6]O){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	108.5950	0.000	1	108.5950	0.000	1	107.6004	1.267	22	107.2801	1.525	40	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	107.7710	0.545	3	107.7710	0.297	3	107.6004	1.267	22	107.2801	1.525	40	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[5]O)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[5]O){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	106.1320	0.000	1	106.1320	0.000	1	107.6004	1.267	22	107.2801	1.525	40	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CNN)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CNN){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	107.5215	0.538	4	107.5215	0.289	4	107.6004	1.267	22	107.2801	1.525	40	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HP)(COO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H){1|P<4>,2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HP)(COO){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	107.0660	0.000	1	107.0660	0.000	1	107.6004	1.267	22	107.2801	1.525	40	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(CCO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(CCO){3|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	108.4970	0.000	1	108.4970	0.000	1	107.6004	1.267	22	107.2801	1.525	40	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CCO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(COO)(H){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CCO){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]C)	105.5410	0.000	1	105.5410	0.000	1	107.6004	1.267	22	107.2801	1.525	40	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]C)(COO)(H){1|C<3>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]C)	108.4510	0.000	1	108.4510	0.000	1	107.6004	1.267	22	107.2801	1.525	40	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(SC[6a]OO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]S)(H){4|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(SC[6a]OO){2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.2440	0.000	1	107.2440	0.000	1	107.2440	0.000	1	107.5902	0.192	5	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCC)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCC)(H){1|H<1>,1|O<2>,2|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO){2|H<1>,4|C<3>}	H(C[6]C[6]N[6]C)	107.0920	0.000	1	107.0920	0.000	1	107.5443	0.204	3	107.5902	0.192	5	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCH)(H)	N[6](C[6]C[6]CH)2(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCH)(H){1|H<1>,1|O<1>,2|C<4>}	N[6](C[6]C[6]CH)2(SC[6a]OO){1|C<3>,4|H<1>}	H(C[6]C[6]N[6]C)	107.5450	0.000	1	107.5450	0.000	1	107.5443	0.204	3	107.5902	0.192	5	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6]S)(COO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]S)(COO)(H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]C)	107.9960	0.000	1	107.9960	0.000	1	107.5443	0.204	3	107.5902	0.192	5	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[6]-4:N[6]-3:N-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(NHS)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HN)(SC[6a]OO)	H(C[6]C[6]N[6]N)	C[6](C[6]C[6]HH)(N[6]C[6]S)(NHS)(H){2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HN)(SC[6a]OO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]N)	108.0740	0.000	1	108.0740	0.000	1	108.0740	0.000	1	107.5902	0.192	5	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	3:4:1:	4:	C[5,5,6,6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,5,6,6]C[5,6,6]N[5,6]O[5,5])(N[6]C[6,6a]H)(CCHH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6,6]CH)(H)	H(C[6]C[5,5,6,6]N[6]C)	C[6](C[5,5,6,6]C[5,6,6]N[5,6]O[5,5])(N[6]C[6,6a]H)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6,6]CH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	H(C[6]C[5,5,6,6]N[6]C)	108.6000	0.000	1	108.6000	0.000	1	108.6000	0.000	1	108.5020	0.776	21	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	3:4:1:	4:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5a,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CCHO)(H)	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H)	H(C[6]C[5,6]N[6]C)	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CCHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	H(C[6]C[5,6]N[6]C)	106.9850	0.000	2	106.9850	0.000	2	107.5263	0.879	3	108.5020	0.776	21	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	3:4:1:	4:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5a,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CHHO)(H)	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H)	H(C[6]C[5,6]N[6]C)	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CHHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	H(C[6]C[5,6]N[6]C)	108.6090	0.000	1	108.6090	0.000	1	107.5263	0.879	3	108.5020	0.776	21	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	3:4:1:	4:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(CCHH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(H)	H(C[6]C[5,6]N[6]C)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(CCHH)(H){1|N<3>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]N[6]C)	109.7630	0.000	1	109.7630	0.000	1	109.7630	0.000	1	108.5020	0.776	21	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	3:4:1:	4:	C[5,6]-4:N[6]-3:C[3]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[3]C[3]2H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[3]H)(H)	H(C[6]C[5,6]C[3]N[6])	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[3]C[3]2H)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[3]H)(H){2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[3]N[6])	107.9420	0.000	1	107.9420	0.000	1	107.9420	0.000	1	108.5020	0.776	21	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[5,6]H)(CC[6a]HH)(H)	N[6](C[5,6]N[5,6,6]N[5])(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6]HH)(N[6]C[5,6]H)(CC[6a]HH)(H){1|C<4>,1|H<1>,2|N<3>}	N[6](C[5,6]N[5,6,6]N[5])(C[6]C[6]CH)(H){3|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	108.8950	0.000	1	108.8950	0.000	1	108.8950	0.000	1	108.5020	0.776	21	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6,6a]H)(CH3)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[5,6]HH)(N[6]C[6,6a]H)(CH3)(H){1|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	109.1950	0.419	2	109.1950	0.175	2	109.1770	0.089	3	108.5020	0.776	21	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]C[6,6a]H)(CH3)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]O[6]H)(N[6]C[6,6a]H)(CH3)(H){4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]C)	109.1410	0.000	1	109.1410	0.000	1	109.1770	0.089	3	108.5020	0.776	21	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3,6]HH)(N[6]C[6]H)(CHHO)(H)	N[6](C[6]C[3,6]O)(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[3,6]HH)(N[6]C[6]H)(CHHO)(H){1|H<1>,1|O<1>,2|C<4>}	N[6](C[6]C[3,6]O)(C[6]C[6]CH)(H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	108.1735	0.255	2	108.1735	0.065	2	108.4755	0.729	11	108.5020	0.776	21	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(N[6]C[6]H)(CHHO)(H)	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[5,6]HO)(N[6]C[6]H)(CHHO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[6](C[6]C[5,6]O)(C[6]C[6]CH)(H){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]N[6]C)	109.3395	1.896	2	109.3395	3.594	2	108.4755	0.729	11	108.5020	0.776	21	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]CH)(N[6]C[6]H)(CH3)(H)	N[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6]CH)(N[6]C[6]H)(CH3)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6,6]H)(C[6]C[6]CH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]C)	107.5180	0.000	1	107.5180	0.000	1	108.4755	0.729	11	108.5020	0.776	21	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(CH3)(H)	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(CH3)(H){1|C<3>,1|N<3>,1|O<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	108.3910	0.000	1	108.3910	0.000	1	108.4755	0.729	11	108.5020	0.776	21	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(N[6]C[6]H)(CHHO)(H)	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]CH)(N[6]C[6]H)(CHHO)(H){1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]C)	108.2630	0.000	1	108.2630	0.000	1	108.4755	0.729	11	108.5020	0.776	21	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CHHO)(H)	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CHHO)(H){1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	108.5083	0.572	4	108.5083	0.328	4	108.4755	0.729	11	108.5020	0.776	21	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	3:4:2:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(CCHH)(H)	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(OC)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(CCHH)(H){1|O<1>,4|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(OC){1|C<4>,3|C<3>}	H(C[6]C[6]N[6]C)	108.1380	0.000	1	108.1380	0.000	1	108.1380	0.000	1	108.1380	0.000	1	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	3:4:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CC[6a]O)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(CC[6a]O){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	107.2520	0.000	1	107.2520	0.000	1	107.8305	0.156	4	107.8305	0.156	4	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	3:4:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]CH)(COO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]CH)(COO){1|Br<1>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]C)	108.0200	0.000	1	108.0233	0.011	3	107.8305	0.156	4	107.8305	0.156	4	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	3:4:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]CH)(COO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){1|O<1>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]CH)(COO){1|I<1>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]C)	108.0250	0.147	2	108.0233	0.011	3	107.8305	0.156	4	107.8305	0.156	4	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	3:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(CCHH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]HH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(CCHH)(H){1|O<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]HH){2|H<1>,4|C<3>}	H(C[6]C[6]N[6]C)	106.2760	0.000	1	106.2760	0.000	1	106.7955	0.540	2	107.5395	0.697	15	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	3:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(CC[6a]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(CC[6a]HH)(H){1|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]C)	107.3150	0.000	1	107.3150	0.000	1	106.7955	0.540	2	107.5395	0.697	15	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	3:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(N[6]C[6,6a]S)(CCHH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]C[6]C)(N[6]C[6,6a]S)(CCHH)(H){1|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]N[6]C)	107.1160	0.000	1	107.1160	0.000	1	107.1160	0.000	1	107.5395	0.697	15	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	3:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[4,6]ClH)(N[6]C[6]C)(CCCH)(H)	N[6](C[6]C[4,6]O)(C[6]C[6]CH)(CCHH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[4,6]ClH)(N[6]C[6]C)(CCCH)(H){1|C<4>,1|H<1>,1|N<4>,1|O<1>}	N[6](C[6]C[4,6]O)(C[6]C[6]CH)(CCHH){1|Cl<1>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	106.0210	0.000	1	106.0210	0.000	1	107.4049	0.613	8	107.5395	0.697	15	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	3:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,5,6,6]HO)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[5,6,6]O)(C[6]C[6]CH)(CC[6a]HH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[5,5,6,6]HO)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	N[6](C[6]C[5,6,6]O)(C[6]C[6]CH)(CC[6a]HH){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	106.8930	0.000	1	106.8930	0.000	1	107.4049	0.613	8	107.5395	0.697	15	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	3:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(CCHO)(H)	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(CCHH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(CCHO)(H){1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(CCHH){1|H<1>,3|C<3>}	H(C[6]C[6]N[6]C)	107.6170	0.484	2	107.6170	0.234	2	107.4049	0.613	8	107.5395	0.697	15	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	3:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(CF3)(H)	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(CC[6a]HH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(CF3)(H){1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(CC[6a]HH){1|H<1>,3|C<3>}	H(C[6]C[6]N[6]C)	106.9230	0.000	1	106.9230	0.000	1	107.4049	0.613	8	107.5395	0.697	15	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	3:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]CH)(CCCH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]C)(CH3)(H){1|H<1>,4|C<3>}	N[6](C[6]C[6,6a]H)(C[6]C[6]CH)(CCCH){1|H<1>,3|C<3>}	H(C[6]C[6]N[6]C)	108.1850	0.000	1	108.1850	0.000	1	107.4049	0.613	8	107.5395	0.697	15	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	3:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6,6a]H)(C[6]C[6]CH)(CC[6a]CH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]C)(CH3)(H){1|H<1>,4|C<3>}	N[6](C[6]C[6,6a]H)(C[6]C[6]CH)(CC[6a]CH){1|H<1>,3|C<3>}	H(C[6]C[6]N[6]C)	108.3550	0.000	1	108.3550	0.000	1	107.4049	0.613	8	107.5395	0.697	15	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	3:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[3,6]O)(C[6]C[6]CH)(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]C)(CH3)(H){1|C<4>,1|O<1>,2|C<3>}	N[6](C[6]C[3,6]O)(C[6]C[6]CH)(CH3){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]N[6]C)	107.6280	0.000	1	107.6280	0.000	1	107.4049	0.613	8	107.5395	0.697	15	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	3:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(CBrHH)(H)	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(CBrHH)(H){1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(SC[6a]OO){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	108.7490	0.000	1	108.7490	0.000	1	108.7955	0.004	2	107.5395	0.697	15	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	3:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[6]N[5a,6]HH)(N[6]C[6]S)(CBrHH)(H)	N[6](C[6]C[5a,6]O)(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]N[5a,6]HH)(N[6]C[6]S)(CBrHH)(H){1|O<1>,2|C<3>}	N[6](C[6]C[5a,6]O)(C[6]C[6]CH)(SC[6a]OO){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]C)	108.8420	0.000	1	108.8420	0.000	1	108.7955	0.004	2	107.5395	0.697	15	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	3:4:4:	4:	C[6]-4:N[6]-3:C[6]-4:H-1:	C[6]-3:B[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[6]H)(N[6]B[6]C[6])(C[6]C[6]HH)(H)	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(C[6]C[6]2H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]N[6]H)(N[6]B[6]C[6])(C[6]C[6]HH)(H){1|B<4>,1|C<4>,1|O<2>,2|C<3>,2|F<1>,5|H<1>}	N[6](C[6]C[6,6a]H)(B[6]O[6]FF)(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2N[6])	107.7775	0.463	2	107.7775	0.215	2	107.7775	0.215	2	107.5395	0.697	15	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:2:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-2:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]N[6]C)(CCHH)(H)	N[6](C[6]C[6]CH)(N[6]C[6])(CC[6a]O)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HO)(N[6]N[6]C)(CCHH)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]CH)(N[6]C[6])(CC[6a]O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6]C)	108.8070	0.000	1	108.8070	0.000	1	108.8070	0.000	1	108.8070	0.000	1	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(N[6]C[6]H)(CC[5a]HH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[5a]C[6]H)(N[6]C[6]H)(CC[5a]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	108.6730	0.000	1	108.6730	0.000	1	107.8206	0.936	29	107.7431	0.918	32	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6,6]HS)(N[6]C[6]H)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]O[6]O)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6]HS)(N[6]C[6]H)(CH3)(H){1|O<1>,1|O<2>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]O[6]O)(H){1|C<4>,1|H<1>,1|S<2>}	H(C[6]C[6]N[6]C)	107.5995	0.286	2	107.5995	0.082	2	107.8206	0.936	29	107.7431	0.918	32	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]H)(CCHO)(H)	N[6](C[6]C[6]CH)(C[6]O[6]O)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CC)(N[6]C[6]H)(CCHO)(H){1|O<1>,1|O<2>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]O[6]O)(H){3|C<4>}	H(C[6]C[6]N[6]C)	107.3070	0.038	2	107.3070	0.001	2	107.8206	0.936	29	107.7431	0.918	32	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]CN)(N[6]C[6]H)(CC[5a]HN)(H)	N[6](C[6]C[6]CH)(C[6]O[6]O)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CN)(N[6]C[6]H)(CC[5a]HN)(H){1|O<1>,1|O<2>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]O[6]O)(H){1|N<3>,2|C<4>}	H(C[6]C[6]N[6]C)	106.2040	0.000	1	106.2040	0.000	1	107.8206	0.936	29	107.7431	0.918	32	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCCH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCCH)(H){1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	107.4210	0.000	1	107.4210	0.000	1	107.8206	0.936	29	107.7431	0.918	32	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]2)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]2)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]C)	105.6490	0.000	1	105.6490	0.000	1	107.8206	0.936	29	107.7431	0.918	32	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	108.1390	0.161	2	108.4460	0.168	4	107.8206	0.936	29	107.7431	0.918	32	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H){1|C<4>,2|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,4|H<1>}	H(C[6]C[6]N[6]C)	108.7530	0.320	2	108.4460	0.168	4	107.8206	0.936	29	107.7431	0.918	32	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]O[6]O)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[6](C[6]C[6]CH)(C[6]O[6]O)(H){1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.2040	0.000	1	107.2040	0.000	1	107.8206	0.936	29	107.7431	0.918	32	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHO)(H){1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	106.8730	0.000	1	106.8730	0.000	1	107.8206	0.936	29	107.7431	0.918	32	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHO)(H)	N[6](C[6]C[6]CH)(C[6]O[6]O)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHO)(H){1|O<1>,1|O<2>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]O[6]O)(H){1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	108.5630	0.000	1	108.5630	0.000	1	107.8206	0.936	29	107.7431	0.918	32	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6a]HO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6a]HO)(H){1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	108.1773	0.895	3	108.1773	0.801	3	107.8206	0.936	29	107.7431	0.918	32	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCl3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCl3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	107.8390	0.016	2	107.8390	0.000	2	107.8206	0.936	29	107.7431	0.918	32	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]C)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	108.6670	0.000	1	108.6670	0.000	1	107.8206	0.936	29	107.7431	0.918	32	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	108.4230	0.106	2	107.5658	2.176	4	107.8206	0.936	29	107.7431	0.918	32	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	108.0460	0.000	1	107.5658	2.176	4	107.8206	0.936	29	107.7431	0.918	32	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]C)	105.3710	0.000	1	107.5658	2.176	4	107.8206	0.936	29	107.7431	0.918	32	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]O[6]O)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)(H){1|O<2>,2|O<1>}	N[6](C[6]C[6]CH)(C[6]O[6]O)(H){1|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	108.6570	0.212	2	108.6570	0.045	2	107.8206	0.936	29	107.7431	0.918	32	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHO)(H)	N[6](C[6]C[6]CH)(C[6]O[6]O)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[6](C[6]C[6]CH)(C[6]O[6]O)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6]C)	107.0030	0.000	1	107.0030	0.000	1	107.8206	0.936	29	107.7431	0.918	32	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]C)	109.1550	0.000	1	109.1550	0.000	1	107.8206	0.936	29	107.7431	0.918	32	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:3:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]N[6]H)(CF3)(H)	N[6](C[6]C[6]CH)(N[6]C[6]H)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]N[6]H)(N[6]N[6]H)(CF3)(H){1|H<1>,3|C<3>}	N[6](C[6]C[6]CH)(N[6]C[6]H)(H){1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6]N[6]C)	107.2505	0.095	2	107.2505	0.009	2	107.2505	0.009	2	107.7431	0.918	32	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:3:1:	4:	P[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](P[6]C[6a]O[6]O)(N[6]C[6]H)(CCCH)(H)	N[6](C[6]P[6]CH)(C[6]C[6]O)(H)	H(C[6]N[6]P[6]C)	C[6](P[6]C[6a]O[6]O)(N[6]C[6]H)(CCCH)(H){1|C<4>,1|O<1>,2|C<3>}	N[6](C[6]P[6]CH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]N[6]P[6]C)	106.4830	0.000	1	106.4830	0.000	1	106.4830	0.000	1	107.7431	0.918	32	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:3:2:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]O)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HO)(N[6]C[6]O)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]C)	107.8330	0.000	1	107.8330	0.000	1	107.8330	0.000	1	107.8330	0.000	1	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6]C)(CCHO)(H)	N[6](C[6]C[5,6]CH)(C[6]O[6]O)(COO)	H(C[6]C[5,6]N[6]C)	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6]C)(CCHO)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	N[6](C[6]C[5,6]CH)(C[6]O[6]O)(COO){1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[5,6]N[6]C)	106.6430	0.000	1	106.6430	0.000	1	106.6430	0.000	1	108.2041	1.572	15	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:3:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCCH)(H)	N[6](C[6]C[6]CH)(C[6]O[6]O)(CCO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCCH)(H){1|O<1>,1|O<2>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]O[6]O)(CCO){1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	109.7333	0.635	3	109.7333	0.403	3	108.3156	1.492	14	108.2041	1.572	15	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:3:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]N)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]N){1|C<3>,1|I<1>,2|H<1>}	H(C[6]C[6]N[6]C)	108.6225	0.426	2	108.6225	0.182	2	108.3156	1.492	14	108.2041	1.572	15	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:3:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<3>,1|O<1>,1|O<2>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO){1|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	107.9780	0.117	2	108.2777	0.276	3	108.3156	1.492	14	108.2041	1.572	15	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:3:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	108.8770	0.000	1	108.2777	0.276	3	108.3156	1.492	14	108.2041	1.572	15	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:3:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6]HH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6]HH)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(COO){1|Si<4>,1|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	108.6910	0.000	1	108.6910	0.000	1	108.3156	1.492	14	108.2041	1.572	15	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:3:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCl3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCl3)(H){1|O<1>,2|C<3>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(COO){1|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	106.1900	0.000	1	106.1900	0.000	1	108.3156	1.492	14	108.2041	1.572	15	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:3:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]O)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]O){1|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	107.8520	0.000	1	107.8520	0.000	1	108.3156	1.492	14	108.2041	1.572	15	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:3:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HW)(N[6]C[6]C)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HW)(N[6]C[6]C)(CCHH)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCO){1|C<4>,1|W<7>,2|H<1>}	H(C[6]C[6]N[6]C)	107.4693	1.518	3	107.4693	2.304	3	108.3156	1.492	14	108.2041	1.572	15	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:3:4:	4:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Fe)(N[6]C[6]C)(CCHH)(H)	N[6](C[6]C[5,6]CH)(C[6]N[6]H)(CH3)	H(C[6]C[5,6]N[6]C)	C[6](C[5,6]C[5,6]C[5]Fe)(N[6]C[6]C)(CCHH)(H){1|N<3>,2|C<4>,2|H<1>}	N[6](C[6]C[5,6]CH)(C[6]N[6]H)(CH3){1|Fe<10>,3|C<4>}	H(C[6]C[5,6]N[6]C)	107.7460	0.000	1	107.7460	0.000	1	107.7460	0.000	1	107.6702	0.451	33	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:3:4:	4:	C[6,6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CCHH)(H)	N[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(CC[6a]HH)	H(C[6]C[6,6]N[6]C)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CCHH)(H){1|C<4>,1|N<3>,2|H<1>,2|O<1>}	N[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]N[6]C)	107.2550	0.000	1	107.2550	0.000	1	107.2550	0.000	1	107.6702	0.451	33	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(CC[6a]2O)(H)	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CC[6a]2O)(H){1|N<3>,2|O<1>}	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]C)	106.8903	1.080	3	106.8903	1.167	3	107.6625	0.436	27	107.6702	0.451	33	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]N[6]S)(CC[6a]CH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(H){1|N<3>,1|O<1>,1|S<1>}	N[6](C[6]C[6]CH)(C[6]N[6]S)(CC[6a]CH){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]C)	108.1705	0.405	2	108.1705	0.164	2	107.6625	0.436	27	107.6702	0.451	33	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]CO)(N[6]C[6]C)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CO)(N[6]C[6]C)(CCHH)(H){1|N<3>,2|O<1>}	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3){1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6]N[6]C)	107.7820	0.000	1	107.7820	0.000	1	107.6625	0.436	27	107.6702	0.451	33	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]FH)(N[6]C[6]C)(CC[6a]2O)(H)	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]FH)(N[6]C[6]C)(CC[6a]2O)(H){1|N<3>,2|O<1>}	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|F<1>,1|H<1>}	H(C[6]C[6]N[6]C)	107.0780	0.000	1	107.0780	0.000	1	107.6625	0.436	27	107.6702	0.451	33	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	106.5980	0.000	1	107.0120	0.343	2	107.6625	0.436	27	107.6702	0.451	33	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	107.4260	0.000	1	107.0120	0.343	2	107.6625	0.436	27	107.6702	0.451	33	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHO)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH){1|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	107.3200	0.000	1	107.3200	0.000	1	107.6625	0.436	27	107.6702	0.451	33	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]2O)(H)	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]2O)(H){1|N<3>,2|O<1>}	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.8230	0.000	1	107.8230	0.000	1	107.6625	0.436	27	107.6702	0.451	33	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HO)(H)	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HO)(H){1|N<3>,1|O<1>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]N[6]O)(CH3){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	106.4680	0.000	1	106.4680	0.000	1	107.6625	0.436	27	107.6702	0.451	33	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]CH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<3>,2|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|S<3>,2|H<1>}	H(C[6]C[6]N[6]C)	107.9850	0.000	1	107.9850	0.000	1	107.6625	0.436	27	107.6702	0.451	33	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]N[6]S)(CC[6a]CH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|N<3>,1|O<1>,1|S<1>}	N[6](C[6]C[6]CH)(C[6]N[6]S)(CC[6a]CH){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	108.4860	0.171	2	108.4860	0.029	2	107.6625	0.436	27	107.6702	0.451	33	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]C)(CC[6a]HH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]C)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,1|S<4>}	H(C[6]C[6]N[6]C)	108.1420	0.000	1	108.1420	0.000	1	107.6625	0.436	27	107.6702	0.451	33	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]MoH)(N[6]C[6]C)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]MoH)(N[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]C)(CH3){1|Mo<7>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	108.1255	0.306	2	108.1255	0.094	2	107.6625	0.436	27	107.6702	0.451	33	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]MoH)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]MoH)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]C)(CH3){1|Mo<7>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.3320	0.000	1	107.3320	0.000	1	107.6625	0.436	27	107.6702	0.451	33	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]C)(CH3)(H){1|O<1>,3|C<3>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]N[6]C)	107.8980	0.000	1	107.8980	0.000	1	107.6625	0.436	27	107.6702	0.451	33	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6a]S[6]H)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]S[6]H)(N[6]C[6]C)(CH3)(H){1|C<4>,1|O<1>,2|C<3>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|C<3>,1|S<2>,3|H<1>}	H(C[6]C[6]N[6]C)	107.5270	0.000	1	107.5270	0.000	1	107.6625	0.436	27	107.6702	0.451	33	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]C)	107.6880	0.000	1	107.6880	0.000	1	107.6625	0.436	27	107.6702	0.451	33	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]S)(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|S<1>}	N[6](C[6]C[6]CH)(C[6]C[6]S)(CH3){1|N<3>,1|S<1>,2|H<1>}	H(C[6]C[6]N[6]C)	108.0770	0.486	3	108.0770	0.237	3	107.6625	0.436	27	107.6702	0.451	33	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(CH3){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]C)	107.7430	0.000	1	107.7430	0.000	1	107.6625	0.436	27	107.6702	0.451	33	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]S)(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|S<1>}	N[6](C[6]C[6]CH)(C[6]C[6]S)(CH3){1|N<3>,1|S<1>,2|H<1>}	H(C[6]C[6]N[6]C)	107.6120	0.000	1	107.6120	0.000	1	107.6625	0.436	27	107.6702	0.451	33	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]O[6]O)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCHH)(H){1|O<1>,1|O<2>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]O[6]O)(SC[6a]OO){1|Br<1>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]C)	109.1310	0.000	1	109.1310	0.000	1	107.7880	1.416	3	107.6702	0.451	33	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CBrCH)(H)	N[6](C[6]C[6]CH)(C[6]O[6]O)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CBrCH)(H){1|O<1>,1|O<2>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]O[6]O)(SC[6a]OO){1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.1165	0.357	2	107.1165	0.128	2	107.7880	1.416	3	107.6702	0.451	33	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:N[6]-3:P-4:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(PO3)(H)	N[6](C[6]C[6]HP)(C[6]N[6]O)(SC[6a]OO)	H(C[6]C[6]N[6]P)	C[6](C[6]C[6]HH)(N[6]C[6]S)(PO3)(H){1|N<2>,1|N<3>,1|O<1>}	N[6](C[6]C[6]HP)(C[6]N[6]O)(SC[6a]OO){1|C<3>,3|H<1>}	H(C[6]C[6]N[6]P)	107.8620	0.000	1	107.8620	0.000	1	107.8620	0.000	1	107.6702	0.451	33	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:2:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:S-4:N[6]-2:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]N[6]S)(CC[6a]HH)(H)	N[6](C[6]C[6]CH)(SC[6a]OO)(N[6]C[6])	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]N[6]S)(CC[6a]HH)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]CH)(SC[6a]OO)(N[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	108.3850	0.000	1	108.3850	0.000	1	108.3850	0.000	1	108.3850	0.000	1	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:3:	4:	C[3x6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[3x6]C[6,6]2O[6])(N[6]C[6]C)(CCHH)(H)	N[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CC[6a]O)	H(C[6]C[3x6]N[6]C)	C[6](C[3x6]C[6,6]2O[6])(N[6]C[6]C)(CCHH)(H){2|C<4>,3|O<2>,4|H<1>}	N[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CC[6a]O){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[3x6]N[6]C)	106.2070	0.000	1	106.2070	0.000	1	106.2070	0.000	1	107.4647	0.592	54	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:3:	4:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CHHO)(H)	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(COO)	H(C[6]C[5,6]N[6]C)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CHHO)(H){1|O<2>,2|C<4>,3|H<1>}	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(COO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]N[6]C)	108.3660	0.000	1	108.3660	0.000	1	108.3660	0.000	1	107.4647	0.592	54	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CCO)	H(C[6]C[6,6]N[6]C)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CH3)(H){1|C<4>,1|N<3>,6|H<1>}	N[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CCO){2|H<1>,3|C<4>}	H(C[6]C[6,6]N[6]C)	106.4750	0.000	1	106.4750	0.000	1	106.5165	0.003	2	107.4647	0.592	54	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6]3)(N[6]C[6]C)(CCHH)(H)	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[6a]O)	H(C[6]C[6,6]N[6]C)	C[6](C[6,6]C[6]3)(N[6]C[6]C)(CCHH)(H){2|C<3>,2|C<4>,7|H<1>}	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[6a]O){2|H<1>,3|C<4>}	H(C[6]C[6,6]N[6]C)	106.5580	0.000	1	106.5580	0.000	1	106.5165	0.003	2	107.4647	0.592	54	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CCHH)(H)	N[6](C[6]C[6]CH)2(COO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CCHH)(H){1|H<1>,2|C<4>,2|O<2>}	N[6](C[6]C[6]CH)2(COO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	107.1770	0.000	1	107.1770	0.000	1	107.5096	0.547	47	107.4647	0.592	54	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6]CH)2(COO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CH3)(H){1|H<1>,2|C<4>,2|O<2>}	N[6](C[6]C[6]CH)2(COO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	107.0700	0.000	1	107.0700	0.000	1	107.5096	0.547	47	107.4647	0.592	54	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5a,6]CH)(N[6]C[6]C)(CHHO)(H)	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(CCO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[5a,6]CH)(N[6]C[6]C)(CHHO)(H){1|H<1>,3|C<3>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(CCO){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6]C)	107.5900	0.000	1	107.5900	0.000	1	107.5096	0.547	47	107.4647	0.592	54	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]C)(CHHO)(H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]O)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]C)(CHHO)(H){2|H<1>,4|C<3>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]O){1|H<1>,3|C<3>}	H(C[6]C[6]N[6]C)	108.4530	0.000	1	108.4530	0.000	1	107.5096	0.547	47	107.4647	0.592	54	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]FH)(N[6]C[6]C)(CCHH)(H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]O)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]FH)(N[6]C[6]C)(CCHH)(H){2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]O){1|F<1>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]C)	107.4160	0.000	1	107.4160	0.000	1	107.5096	0.547	47	107.4647	0.592	54	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]O)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]O){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	107.3350	0.000	1	107.3350	0.000	1	107.5096	0.547	47	107.4647	0.592	54	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	106.3850	0.000	2	106.3850	0.000	2	107.5096	0.547	47	107.4647	0.592	54	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	N[6](C[6]C[6]CH)2(COO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)2(COO){1|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	107.6800	0.000	1	107.4172	0.196	4	107.5096	0.547	47	107.4647	0.592	54	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	N[6](C[6]C[6]CH)2(COO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	N[6](C[6]C[6]CH)2(COO){1|C<3>,4|H<1>}	H(C[6]C[6]N[6]C)	107.5675	0.395	2	107.4172	0.196	4	107.5096	0.547	47	107.4647	0.592	54	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	N[6](C[6]C[6]CH)2(COO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)2(COO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]C)	106.8540	0.000	1	107.4172	0.196	4	107.5096	0.547	47	107.4647	0.592	54	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]C)	106.5530	0.789	2	106.5530	0.623	2	107.5096	0.547	47	107.4647	0.592	54	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO){3|C<3>,4|H<1>}	H(C[6]C[6]N[6]C)	108.2810	0.000	1	108.2810	0.000	1	107.5096	0.547	47	107.4647	0.592	54	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HO)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	106.5390	0.000	1	106.5390	0.000	1	107.5096	0.547	47	107.4647	0.592	54	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CNS)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HO)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CNS){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	107.9775	0.093	2	107.9775	0.009	2	107.5096	0.547	47	107.4647	0.592	54	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]HO)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	108.0300	0.000	1	108.0300	0.000	1	107.5096	0.547	47	107.4647	0.592	54	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6]CC)(C[6]C[6]CH)(CNO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]CC)(C[6]C[6]CH)(CNO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	106.8040	0.000	1	106.8040	0.000	1	107.5096	0.547	47	107.4647	0.592	54	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6]CC)(C[6]C[6]CH)(COO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]CC)(C[6]C[6]CH)(COO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	106.9480	0.000	1	106.9480	0.000	1	107.5096	0.547	47	107.4647	0.592	54	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]O)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]O){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	107.6630	0.000	1	107.6630	0.000	1	107.5096	0.547	47	107.4647	0.592	54	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]O)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]O){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	107.9900	0.000	1	107.9900	0.000	1	107.5096	0.547	47	107.4647	0.592	54	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	108.7300	0.000	1	107.7197	1.216	3	107.5096	0.547	47	107.4647	0.592	54	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]C)	107.8860	0.000	1	107.7197	1.216	3	107.5096	0.547	47	107.4647	0.592	54	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	106.5430	0.000	1	107.7197	1.216	3	107.5096	0.547	47	107.4647	0.592	54	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6]CH)2(CC[6]O)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]CH)2(CC[6]O){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	108.3090	0.000	1	108.3090	0.000	1	107.5096	0.547	47	107.4647	0.592	54	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6]CH)2(CNN)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)2(CNN){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	106.6325	0.282	2	106.6325	0.080	2	107.5096	0.547	47	107.4647	0.592	54	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6]CH)2(CNS)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)2(CNS){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	106.9727	0.056	4	106.9727	0.003	4	107.5096	0.547	47	107.4647	0.592	54	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CHHN)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CHHN)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	108.3935	0.325	2	108.3935	0.105	2	107.5096	0.547	47	107.4647	0.592	54	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CN[5]HH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CN[5]HH)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	107.7230	0.000	1	107.7230	0.000	1	107.5096	0.547	47	107.4647	0.592	54	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CN[6]HH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CN[6]HH)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	108.4880	0.000	1	108.4880	0.000	1	107.5096	0.547	47	107.4647	0.592	54	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(CCHH)(H)	N[6](C[6]C[6]CH)2(COO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CCHH)(H){2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)2(COO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]C)	107.3240	0.000	1	107.3240	0.000	1	107.5096	0.547	47	107.4647	0.592	54	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]C)	107.3260	0.000	1	107.3260	0.000	1	107.5096	0.547	47	107.4647	0.592	54	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]MoH)(N[6]C[6]C)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]MoH)(N[6]C[6]C)(CCHH)(H){1|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|Mo<8>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	108.8990	0.000	1	108.8990	0.000	1	107.5096	0.547	47	107.4647	0.592	54	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(CC[6a]HH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]CH)(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,1|S<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]C)	107.7240	0.000	1	107.7240	0.000	1	107.5096	0.547	47	107.4647	0.592	54	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<4>,1|S<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]C)	108.6720	0.000	1	108.6720	0.000	1	107.5096	0.547	47	107.4647	0.592	54	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]O)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[3]O){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]C)	108.7730	0.000	1	108.7730	0.000	1	107.5096	0.547	47	107.4647	0.592	54	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H){1|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(COO){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]C)	108.4280	0.000	1	108.4280	0.000	1	107.5096	0.547	47	107.4647	0.592	54	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6]CH)2(COO)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H){1|H<1>,1|S<4>,2|C<4>}	N[6](C[6]C[6]CH)2(COO){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]C)	107.1375	0.268	2	107.1375	0.072	2	107.5096	0.547	47	107.4647	0.592	54	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CHO)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CHO){1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	107.1100	0.000	1	107.1100	0.000	1	107.5096	0.547	47	107.4647	0.592	54	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:P-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]P)(CCCH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(POO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]P)(CCCH)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(POO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	107.4610	0.000	1	107.4610	0.000	1	107.9910	0.562	2	107.4647	0.592	54	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:P-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(POO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(POO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	108.5210	0.000	1	108.5210	0.000	1	107.9910	0.562	2	107.4647	0.592	54	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:N[6]-3:P-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(PO3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HP)(COO)	H(C[6]C[6]N[6]P)	C[6](C[6]C[6]CH)(N[6]C[6]C)(PO3)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HP)(COO){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]P)	106.5560	0.000	1	106.5560	0.000	1	106.5560	0.000	1	107.4647	0.592	54	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(CCHH)(H)	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6,6]N[6]C)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(CCHH)(H){1|C<3>,2|C<4>,5|H<1>}	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(SC[6a]OO){2|C<4>,3|H<1>}	H(C[6]C[6,6]N[6]C)	107.7820	0.000	1	107.5625	0.096	2	107.5625	0.096	2	107.3750	0.580	23	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(CCHH)(H)	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6,6]N[6]C)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(CCHH)(H){2|C<4>,2|O<2>,4|H<1>}	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(SC[6a]OO){2|C<4>,3|H<1>}	H(C[6]C[6,6]N[6]C)	107.3430	0.000	1	107.5625	0.096	2	107.5625	0.096	2	107.3750	0.580	23	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6]CH)2(CSnNN)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)2(CSnNN){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	107.0550	0.216	2	107.0550	0.047	2	107.0550	0.047	2	107.3750	0.580	23	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(CH3)(H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(CH3)(H){1|H<1>,3|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(SC[6a]OO){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]C)	106.9210	0.000	1	106.9210	0.000	1	107.3889	0.685	19	107.3750	0.580	23	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCCH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCCH)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|Br<1>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	108.1270	0.000	1	108.1270	0.000	1	107.3889	0.685	19	107.3750	0.580	23	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(CH3)(H)	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CH)(N[6]C[6]S)(CH3)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(SC[6a]OO){1|H<1>,4|C<4>}	H(C[6]C[6]N[6]C)	107.6230	0.000	1	107.6230	0.000	1	107.3889	0.685	19	107.3750	0.580	23	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCCH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCCH)(H){1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	107.2740	0.000	1	106.0220	3.135	2	107.3889	0.685	19	107.3750	0.580	23	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCCH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCCH)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	104.7700	0.000	1	106.0220	3.135	2	107.3889	0.685	19	107.3750	0.580	23	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SCOO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SCOO){2|H<1>,3|C<4>}	H(C[6]C[6]N[6]C)	108.1310	0.000	1	108.1310	0.000	1	107.3889	0.685	19	107.3750	0.580	23	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CC[6a]HH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CC[6a]HH)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|Si<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	107.8830	0.000	1	107.8830	0.000	1	107.3889	0.685	19	107.3750	0.580	23	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CC[6a]HH)(H)	N[6](C[6]C[6]CH)2(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CH)2(SC[6a]OO){1|C<3>,4|H<1>}	H(C[6]C[6]N[6]C)	107.2530	0.000	1	107.2530	0.000	1	107.3889	0.685	19	107.3750	0.580	23	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	107.8500	0.000	1	107.7735	0.012	2	107.3889	0.685	19	107.3750	0.580	23	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]C)	107.6970	0.000	1	107.7735	0.012	2	107.3889	0.685	19	107.3750	0.580	23	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	106.9210	0.000	1	107.1790	0.133	2	107.3889	0.685	19	107.3750	0.580	23	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]C)	107.4370	0.000	1	107.1790	0.133	2	107.3889	0.685	19	107.3750	0.580	23	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H){2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	108.4030	0.000	1	108.4030	0.000	1	107.3889	0.685	19	107.3750	0.580	23	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HN)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H){1|C<4>,1|N<3>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HN)(SC[6a]OO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	106.1790	0.000	1	106.1790	0.000	1	107.3889	0.685	19	107.3750	0.580	23	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]S)(CCCH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HO)(N[6]C[6]S)(CCCH)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.7095	0.275	2	107.7095	0.076	2	107.3889	0.685	19	107.3750	0.580	23	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(N[6]C[6]S)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]C[6]O)(N[6]C[6]S)(CH3)(H){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]C)	107.4900	0.000	1	107.4900	0.000	1	107.3889	0.685	19	107.3750	0.580	23	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]S)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]CH)(N[6]C[6]S)(CCHH)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]N[6]C)	107.0090	0.000	1	107.0090	0.000	1	107.3889	0.685	19	107.3750	0.580	23	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]S)(CClHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SCOO)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]S)(CClHH)(H){1|C<4>,1|S<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SCOO){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]C)	108.0030	0.000	1	108.0030	0.000	1	107.3889	0.685	19	107.3750	0.580	23	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:4:3:1:	3:3:4:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H)	N[6](C[6]C[6,6a]O)2(C[6]C[6]2H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	N[6](C[6]C[6,6a]O)2(C[6]C[6]2H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2N[6])	106.4780	0.113	2	106.4780	0.013	2	106.3766	0.666	28	106.3766	0.666	28	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:4:3:1:	3:3:4:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	N[6](C[6]C[6,6a]O)2(C[6]C[6]2H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	N[6](C[6]C[6,6a]O)2(C[6]C[6]2H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2N[6])	106.0631	0.455	8	106.0631	0.207	8	106.3766	0.666	28	106.3766	0.666	28	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:4:3:1:	3:3:4:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[6]C[6]2)(H)	N[6](C[6]C[6,6a]O)2(C[6]C[6]2H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[6]C[6]2)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	N[6](C[6]C[6,6a]O)2(C[6]C[6]2H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2N[6])	106.8640	0.349	2	106.8640	0.122	2	106.3766	0.666	28	106.3766	0.666	28	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:4:3:1:	3:3:4:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]2)(H)	N[6](C[6]C[6,6a]O)2(C[6]C[6]2H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]2)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	N[6](C[6]C[6,6a]O)2(C[6]C[6]2H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2N[6])	106.4285	0.576	8	106.4285	0.332	8	106.3766	0.666	28	106.3766	0.666	28	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:4:3:1:	3:3:4:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(N[6]C[6]2)(H)	N[6](C[6]C[6,6a]O)2(C[6]C[6]2H)	H(C[6]C[6]2N[6])	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(N[6]C[6]2)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	N[6](C[6]C[6,6a]O)2(C[6]C[6]2H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2N[6])	106.4909	1.345	8	106.4909	1.810	8	106.3766	0.666	28	106.3766	0.666	28	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:4:3:1:	3:4:3:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	N[6](C[6]C[5,6]O)(C[6]C[6]2H)(C[6]C[6]C)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]2H)(C[6]C[6]C){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2N[6])	105.7590	0.000	1	105.7590	0.000	1	106.3553	0.085	13	106.3553	0.085	13	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:4:3:1:	3:4:3:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	N[6](C[6]C[6a]O[6])(C[6]C[6]2H)(C[6]N[6]O)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	N[6](C[6]C[6a]O[6])(C[6]C[6]2H)(C[6]N[6]O){1|B<4>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2N[6])	106.2092	0.251	5	106.4050	0.058	12	106.3553	0.085	13	106.3553	0.085	13	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:4:3:1:	3:4:3:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	N[6](C[6]C[6a]O[6])(C[6]C[6]2H)(C[6]N[6]O)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	N[6](C[6]C[6a]O[6])(C[6]C[6]2H)(C[6]N[6]O){1|B<4>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2N[6])	106.5449	0.095	7	106.4050	0.058	12	106.3553	0.085	13	106.3553	0.085	13	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:4:3:1:	3:4:4:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	N[6](C[6]C[6,6a]C)(C[6]C[6]2H)(C[6]N[6]CH)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	N[6](C[6]C[6,6a]C)(C[6]C[6]2H)(C[6]N[6]CH){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2N[6])	107.2560	0.000	1	107.2560	0.000	1	107.2560	0.000	1	107.2560	0.000	1	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:4:3:1:	4:3:1:	4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[3x6]C[6,6]3)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6]C[3x6]C[6]H)(C[6]C[6]O)(H)	H(C[6]C[3x6]C[6]N[6])	C[6](C[3x6]C[6,6]3)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<1>,1|O<2>,4|C<4>,7|H<1>}	N[6](C[6]C[3x6]C[6]H)(C[6]C[6]O)(H){4|C<4>,4|H<1>}	H(C[6]C[3x6]C[6]N[6])	107.3530	0.000	1	106.8250	0.558	2	107.1677	0.349	4	107.1677	0.349	4	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:4:3:1:	4:3:1:	4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[3x6]C[6,6]3)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6]C[3x6]C[6]H)(C[6]C[6]O)(H)	H(C[6]C[3x6]C[6]N[6])	C[6](C[3x6]C[6,6]3)(C[6]C[6]HH)(N[6]C[6]H)(H){2|O<1>,4|C<4>,6|H<1>}	N[6](C[6]C[3x6]C[6]H)(C[6]C[6]O)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[3x6]C[6]N[6])	106.2970	0.000	1	106.8250	0.558	2	107.1677	0.349	4	107.1677	0.349	4	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:4:3:1:	4:3:1:	4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[3x6]C[6,6]3)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6]C[3x6]C[6]H)(C[6]O[6]O)(H)	H(C[6]C[3x6]C[6]N[6])	C[6](C[3x6]C[6,6]3)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	N[6](C[6]C[3x6]C[6]H)(C[6]O[6]O)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[3x6]C[6]N[6])	107.5105	0.135	2	107.5105	0.018	2	107.1677	0.349	4	107.1677	0.349	4	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:4:3:1:	4:3:3:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6]2H)(C[6]C[6]O)(COO)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]O)(COO){4|C<4>,4|H<1>}	H(C[6]C[6]2N[6])	105.8830	0.000	1	105.8830	0.000	1	105.8830	0.000	1	106.2000	1.218	5	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:4:3:1:	4:3:3:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H)	N[6](C[6]C[6]2H)(C[6]C[6]H)2	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H){1|C<4>,2|C<3>,6|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]H)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2N[6])	107.8250	0.000	1	107.8250	0.000	1	106.2793	1.582	4	106.2000	1.218	5	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:4:3:1:	4:3:3:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	N[6](C[6]C[6]2H)(C[6]C[6]C)(C[6]C[6]O)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]C)(C[6]C[6]O){1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[6]2N[6])	106.5990	0.000	1	106.5990	0.000	1	106.2793	1.582	4	106.2000	1.218	5	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:4:3:1:	4:3:3:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	N[6](C[6]C[6]2H)(C[6]N[6]O)(C[6]P[6]N)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|P<3>,4|H<1>}	N[6](C[6]C[6]2H)(C[6]N[6]O)(C[6]P[6]N){1|Cu<2>,1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2N[6])	105.3465	0.716	2	105.3465	0.513	2	106.2793	1.582	4	106.2000	1.218	5	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:4:3:1:	4:3:4:	4:	C[5]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]CH)(N[6]C[6]C)(H)	N[6](C[6]C[5]C[6]H)(C[6]N[6]O)(CH3)	H(C[6]C[5]C[6]N[6])	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	N[6](C[6]C[5]C[6]H)(C[6]N[6]O)(CH3){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[5]C[6]N[6])	106.7835	0.342	2	106.7835	0.117	2	106.7287	0.067	3	106.8870	0.180	5	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:4:3:1:	4:3:4:	4:	C[5]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[5]C[6]H)(C[6]N[6]O)(CH3)	H(C[6]C[5]C[6]N[6])	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	N[6](C[6]C[5]C[6]H)(C[6]N[6]O)(CH3){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5]C[6]N[6])	106.6190	0.000	1	106.6190	0.000	1	106.7287	0.067	3	106.8870	0.180	5	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:4:3:1:	4:3:4:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6,6a]2O)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6]2H)(C[6]N[6]O)(CH3)	H(C[6]C[6]2N[6])	C[6](C[6]C[6,6a]2O)(C[6]C[6]HH)(N[6]C[6]C)(H){1|N<3>,2|O<1>,4|C<3>}	N[6](C[6]C[6]2H)(C[6]N[6]O)(CH3){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2N[6])	106.6780	0.000	1	106.6780	0.000	1	107.1245	0.399	2	106.8870	0.180	5	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:4:3:1:	4:3:4:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6]O)(C[6]C[6]FH)(N[6]C[6]C)(H)	N[6](C[6]C[6]2H)(C[6]N[6]O)(CH3)	H(C[6]C[6]2N[6])	C[6](C[6]C[6,6a]C[6]O)(C[6]C[6]FH)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	N[6](C[6]C[6]2H)(C[6]N[6]O)(CH3){1|F<1>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2N[6])	107.5710	0.000	1	107.5710	0.000	1	107.1245	0.399	2	106.8870	0.180	5	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:4:3:1:	4:4:3:	4:	C[5]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5]C[5]O[5]H)(C[6]C[5,6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(COO)	H(C[6]C[5]C[6]N[6])	C[6](C[5]C[5]O[5]H)(C[6]C[5,6]HH)(N[6]C[6]C)(H){2|C<4>,3|O<2>,4|H<1>}	N[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(COO){1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[5]C[6]N[6])	107.7830	0.006	2	107.7830	0.000	2	107.7830	0.000	2	107.2083	0.666	8	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:4:3:1:	4:4:3:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6]2H)(C[6]C[6]HO)(COO)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HO)(COO){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2N[6])	106.5550	0.000	1	106.5550	0.000	1	107.2985	1.106	2	107.2083	0.666	8	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:4:3:1:	4:4:3:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HO)(N[6]C[6]C)(H)	N[6](C[6]C[6]2H)(C[6]C[6]HH)(COO)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]2H)(C[6]C[6]HO)(N[6]C[6]C)(H){1|C<3>,3|C<4>,7|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)(COO){1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2N[6])	108.0420	0.000	1	108.0420	0.000	1	107.2985	1.106	2	107.2083	0.666	8	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:4:3:1:	4:4:3:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[6]C[6]2)(H)	N[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[6]C[6]2)(H){3|C<4>,7|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|B<4>,3|C<4>,7|H<1>}	H(C[6]C[6]2N[6])	107.2450	0.132	2	107.2450	0.017	2	106.8757	0.812	4	107.2083	0.666	8	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:4:3:1:	4:4:3:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(C[6]N[6]H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(C[6]N[6]H){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2N[6])	107.4740	0.000	1	107.4740	0.000	1	106.8757	0.812	4	107.2083	0.666	8	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:4:3:1:	4:4:3:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	N[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|O<1>,1|O<2>,2|C<4>,6|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O){3|C<4>,6|H<1>}	H(C[6]C[6]2N[6])	105.5390	0.000	1	105.5390	0.000	1	106.8757	0.812	4	107.2083	0.666	8	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]S)(H)	N[6](C[6]C[6]2H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]2N[6])	105.2550	0.000	1	105.2550	0.000	1	105.2550	0.000	1	105.2550	0.000	1	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP2	C[6]	N[6]	H	6:4:3:1:	4:3:3:	4:	B[5x3,5x5,21x6]-6:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-4:	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]HH)(N[6]C[6]2)(H)	N[6](C[6]B[5x3,5x5,21x6]C[6]H)(C[6]C[6]H)2	H(C[6]B[5x3,5x5,21x6]C[6]N[6])	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]HH)(N[6]C[6]2)(H){1|C<4>,2|C<3>,5|B<6>,8|H<1>}	N[6](C[6]B[5x3,5x5,21x6]C[6]H)(C[6]C[6]H)2{1|C<3>,1|C<4>,1|C<6>,4|B<6>,4|H<1>}	H(C[6]B[5x3,5x5,21x6]C[6]N[6])	107.0010	0.000	1	107.0010	0.000	1	107.0010	0.000	1	107.0010	0.000	1	109.1187	1.369	9921	109.0947	1.404	12187
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[3x6]	H	3:3:3:1:	4:3:4:	4:	C[6,6a]-3:N[3x6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6a]-3:C[6,6]-4:	C[3x6]-4:	C[3x6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6a]C[6,6])(N[6,6]C[6,6a]C[6])(H)	N[3x6](C[3x6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)	H(C[3x6]C[6,6a]N[3x6]N[6,6])	C[3x6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6a]C[6,6])(N[6,6]C[6,6a]C[6])(H){2|N<3>,3|H<1>,6|C<3>}	N[3x6](C[3x6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H){1|C<4>,2|H<1>,6|C<3>}	H(C[3x6]C[6,6a]N[3x6]N[6,6])	107.7680	0.359	2	107.7680	0.129	2	107.7680	0.129	2	107.7680	0.129	2	107.4699	1.911	8	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[3x6]	H	3:4:3:1:	4:4:4:	4:	N[3x6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H)	N[3x6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)	H(C[3x6]C[6,6]N[3x6]N[6,6])	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H){1|C<3>,1|N<3>,5|C<4>,8|H<1>}	N[3x6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H){5|H<1>,8|C<4>}	H(C[3x6]C[6,6]N[3x6]N[6,6])	106.2710	0.000	1	106.4795	0.087	2	106.4795	0.087	2	106.4795	0.087	2	107.4699	1.911	8	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[3x6]	H	3:4:3:1:	4:4:4:	4:	N[3x6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H)	N[3x6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)	H(C[3x6]C[6,6]N[3x6]N[6,6])	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H){1|N<3>,1|O<1>,5|C<4>,7|H<1>}	N[3x6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H){1|C<3>,5|H<1>,7|C<4>}	H(C[3x6]C[6,6]N[3x6]N[6,6])	106.6880	0.000	1	106.4795	0.087	2	106.4795	0.087	2	106.4795	0.087	2	107.4699	1.911	8	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[3x6]	H	3:4:4:1:	4:4:4:	4:	N[3x6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6]2H)2(H)	N[3x6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)	H(C[3x6]C[6,6]2N[3x6])	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6]2H)2(H){1|C<3>,2|N<3>,3|C<4>,9|H<1>}	N[3x6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H){5|H<1>,8|C<4>}	H(C[3x6]C[6,6]2N[3x6])	109.1190	0.000	1	109.4245	0.187	2	109.4245	0.187	2	109.4245	0.187	2	107.4699	1.911	8	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[3x6]	H	3:4:4:1:	4:4:4:	4:	N[3x6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[3x6]-4:	C[3x6]-4:	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6]2H)2(H)	N[3x6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)	H(C[3x6]C[6,6]2N[3x6])	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6]2H)2(H){1|O<1>,2|N<3>,3|C<4>,8|H<1>}	N[3x6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H){1|C<3>,5|H<1>,7|C<4>}	H(C[3x6]C[6,6]2N[3x6])	109.7300	0.000	1	109.4245	0.187	2	109.4245	0.187	2	109.4245	0.187	2	107.4699	1.911	8	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[3x6]	H	4:3:4:1:	4:4:4:	4:	C[4x6]-4:N[3x6]-3:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[5,3x6]C[6,6]H)(N[3x6]C[3x6]C[6,6])(C[6]C[6]HH)(H)	N[3x6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[4x6]C[6]H)(C[6,6]C[3x6]HH)	H(C[3x6]C[4x6]N[3x6]C[6])	C[3x6](C[4x6]C[5,3x6]C[6,6]H)(N[3x6]C[3x6]C[6,6])(C[6]C[6]HH)(H){1|O<2>,4|C<4>,7|H<1>}	N[3x6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[4x6]C[6]H)(C[6,6]C[3x6]HH){5|H<1>,7|C<4>}	H(C[3x6]C[4x6]N[3x6]C[6])	106.1630	0.000	1	106.1630	0.000	1	106.1630	0.000	1	106.2075	0.004	2	107.4699	1.911	8	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[3x6]	H	4:3:4:1:	4:4:4:	4:	C[5,4x6]-4:N[3x6]-3:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:	C[3x6]-4:	C[3x6](C[5,4x6]C[5,3x6]C[3x6]C[5])(N[3x6]C[3x6]C[6,6])(C[6]C[6]CH)(H)	N[3x6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[4x6]C[6]H)(C[6,6]C[3x6]HH)	H(C[3x6]C[5,4x6]N[3x6]C[6])	C[3x6](C[5,4x6]C[5,3x6]C[3x6]C[5])(N[3x6]C[3x6]C[6,6])(C[6]C[6]CH)(H){1|O<2>,7|C<4>,7|H<1>}	N[3x6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[4x6]C[6]H)(C[6,6]C[3x6]HH){5|H<1>,7|C<4>}	H(C[3x6]C[5,4x6]N[3x6]C[6])	106.2520	0.000	1	106.2520	0.000	1	106.2520	0.000	1	106.2075	0.004	2	107.4699	1.911	8	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[4x6]	H	3:3:4:1:	4:4:4:	4:	C[5a,6]-3:N[4x6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:	C[3x6]-4:	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H)	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)	H(C[3x6]C[5a,6]C[6,6]N[4x6])	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H){2|C<3>,4|C<4>,4|H<1>}	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,6|H<1>}	H(C[3x6]C[5a,6]C[6,6]N[4x6])	108.5700	0.000	1	108.9614	0.081	5	109.0561	0.149	8	109.0906	0.141	9	108.5174	0.524	17	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[4x6]	H	3:3:4:1:	4:4:4:	4:	C[5a,6]-3:N[4x6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:	C[3x6]-4:	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H)	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)	H(C[3x6]C[5a,6]C[6,6]N[4x6])	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H){2|C<4>,4|C<3>,4|H<1>}	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[3x6]C[5a,6]C[6,6]N[4x6])	108.7640	0.000	1	108.9614	0.081	5	109.0561	0.149	8	109.0906	0.141	9	108.5174	0.524	17	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[4x6]	H	3:3:4:1:	4:4:4:	4:	C[5a,6]-3:N[4x6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:	C[3x6]-4:	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H)	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)	H(C[3x6]C[5a,6]C[6,6]N[4x6])	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H){3|C<3>,3|H<1>,4|C<4>}	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	H(C[3x6]C[5a,6]C[6,6]N[4x6])	109.2590	0.000	1	108.9614	0.081	5	109.0561	0.149	8	109.0906	0.141	9	108.5174	0.524	17	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[4x6]	H	3:3:4:1:	4:4:4:	4:	C[5a,6]-3:N[4x6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:	C[3x6]-4:	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H)	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)	H(C[3x6]C[5a,6]C[6,6]N[4x6])	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H){3|C<4>,3|H<1>,4|C<3>}	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[3x6]C[5a,6]C[6,6]N[4x6])	109.1070	0.014	2	108.9614	0.081	5	109.0561	0.149	8	109.0906	0.141	9	108.5174	0.524	17	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[4x6]	H	3:3:4:1:	4:4:4:	4:	C[5a,6]-3:N[4x6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:	C[3x6]-4:	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H)	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)	H(C[3x6]C[5a,6]C[6,6]N[4x6])	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[3x6]C[5a,6]C[6,6]N[4x6])	109.3690	0.000	1	109.2140	0.301	3	109.0561	0.149	8	109.0906	0.141	9	108.5174	0.524	17	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[4x6]	H	3:3:4:1:	4:4:4:	4:	C[5a,6]-3:N[4x6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:	C[3x6]-4:	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H)	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)	H(C[3x6]C[5a,6]C[6,6]N[4x6])	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[5a,6]C[6,6]N[4x6])	109.6680	0.000	1	109.2140	0.301	3	109.0561	0.149	8	109.0906	0.141	9	108.5174	0.524	17	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[4x6]	H	3:3:4:1:	4:4:4:	4:	C[5a,6]-3:N[4x6]-3:C[6,6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:	C[3x6]-4:	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H)	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)	H(C[3x6]C[5a,6]C[6,6]N[4x6])	C[3x6](C[5a,6]C[5a,6]N[5a])(N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]HH)(H){2|C<4>,3|C<3>,5|H<1>}	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[5a,6]C[6,6]N[4x6])	108.6050	0.000	1	109.2140	0.301	3	109.0561	0.149	8	109.0906	0.141	9	108.5174	0.524	17	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[4x6]	H	3:3:4:1:	4:4:4:	4:	N[4x6]-3:C[5,6]-3:C[6,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:C[6,6]-4:	C[3x6]-4:	C[3x6](N[4x6]C[5,3x6]C[6,6])(C[5,6]C[5,5,6]N[5])(C[6,6]C[3x6]HH)(H)	N[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[3x6]C[5,6]C[6,6]H)(C[6,6]C[6,6]CH)	H(C[3x6]C[5,6]C[6,6]N[4x6])	C[3x6](N[4x6]C[5,3x6]C[6,6])(C[5,6]C[5,5,6]N[5])(C[6,6]C[3x6]HH)(H){2|C<3>,3|H<1>,5|C<4>}	N[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[3x6]C[5,6]C[6,6]H)(C[6,6]C[6,6]CH){1|N<2>,4|C<4>,6|H<1>}	H(C[3x6]C[5,6]C[6,6]N[4x6])	109.3660	0.000	1	109.3660	0.000	1	109.3660	0.000	1	109.0906	0.141	9	108.5174	0.524	17	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[4x6]	H	3:4:3:1:	4:4:4:	4:	N[4x6]-3:C[6,6]-4:C[6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:	C[3x6]-4:	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]O)(H)	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)	H(C[3x6]C[6,6]N[4x6]C[6])	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]O)(H){1|C<4>,3|C<3>,4|H<1>}	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]N[4x6]C[6])	107.3480	0.000	1	107.3480	0.000	1	107.3480	0.000	1	107.7250	0.078	5	108.5174	0.524	17	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[4x6]	H	3:4:3:1:	4:4:4:	4:	N[4x6]-3:C[6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:	C[3x6]-4:	C[3x6](N[4x6]C[3x6]C[6,6])(C[6]C[5a,6]HH)(C[6,6]C[3x6]O)(H)	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)	H(C[3x6]C[6,6]N[4x6]C[6])	C[3x6](N[4x6]C[3x6]C[6,6])(C[6]C[5a,6]HH)(C[6,6]C[3x6]O)(H){2|C<4>,3|C<3>,3|H<1>}	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[3x6]C[6,6]N[4x6]C[6])	107.7347	0.158	3	107.7347	0.025	3	107.8192	0.045	4	107.7250	0.078	5	108.5174	0.524	17	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[4x6]	H	3:4:3:1:	4:4:4:	4:	N[4x6]-3:C[6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:	C[3x6]-4:	C[3x6](N[4x6]C[3x6]C[6,6])(C[6]C[5a,6]HH)(C[6,6]C[3x6]O)(H)	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)	H(C[3x6]C[6,6]N[4x6]C[6])	C[3x6](N[4x6]C[3x6]C[6,6])(C[6]C[5a,6]HH)(C[6,6]C[3x6]O)(H){1|C<4>,3|C<3>,4|H<1>}	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[3x6]C[6,6]N[4x6]C[6])	108.0730	0.000	1	108.0730	0.000	1	107.8192	0.045	4	107.7250	0.078	5	108.5174	0.524	17	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[4x6]	H	3:4:4:1:	4:4:4:	4:	N[4x6]-3:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:	C[3x6]-4:	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]HH)(H)	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)	H(C[3x6]C[6,6]N[4x6]C[6])	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,6|H<1>}	H(C[3x6]C[6,6]N[4x6]C[6])	108.5470	0.000	1	108.3355	0.089	2	108.1183	0.186	3	108.1183	0.186	3	108.5174	0.524	17	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[4x6]	H	3:4:4:1:	4:4:4:	4:	N[4x6]-3:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:	C[3x6]-4:	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]HH)(H)	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)	H(C[3x6]C[6,6]N[4x6]C[6])	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	H(C[3x6]C[6,6]N[4x6]C[6])	108.1240	0.000	1	108.3355	0.089	2	108.1183	0.186	3	108.1183	0.186	3	108.5174	0.524	17	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[4x6]	H	3:4:4:1:	4:4:4:	4:	N[4x6]-3:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:	C[3x6]-4:	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]HO)(H)	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)	H(C[3x6]C[6,6]N[4x6]C[6])	C[3x6](N[4x6]C[3x6]C[6,6])(C[6,6]C[3x6]CH)(C[6]C[5a,6]HO)(H){1|C<4>,3|C<3>,4|H<1>}	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6]N[4x6]C[6])	107.6840	0.000	1	107.6840	0.000	1	108.1183	0.186	3	108.1183	0.186	3	108.5174	0.524	17	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	3:3:3:1:	3:4:4:	4:	N[6,6]-3:N[6,6]-3:N[6,6]-3:H-1:	C[6,6a]-3:C[3x6]-4:C[6]-4:	C[3x6]-4:	C[3x6](N[6,6]C[6,6a]C[6])2(N[6,6]C[6]2)(H)	N[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[3x6]N[6,6]2H)(C[6]C[6]HH)	H(C[3x6]N[6,6]3)	C[3x6](N[6,6]C[6,6a]C[6])2(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,8|H<1>}	N[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[3x6]N[6,6]2H)(C[6]C[6]HH){3|C<3>,3|C<4>,3|H<1>}	H(C[3x6]N[6,6]3)	107.6300	0.948	3	107.6300	0.898	3	107.6300	0.898	3	107.6300	0.898	3	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	3:3:3:1:	4:3:4:	4:	C[6,6a]-3:N[3x6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6a]-3:C[6]-4:	C[3x6]-4:	C[3x6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6a]C[6,6])(N[6,6]C[6,6a]C[6])(H)	N[6,6](C[3x6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)	H(C[3x6]C[6,6a]N[3x6]N[6,6])	C[3x6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6a]C[6,6])(N[6,6]C[6,6a]C[6])(H){2|N<3>,3|H<1>,6|C<3>}	N[6,6](C[3x6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN){1|C<4>,1|H<1>,6|C<3>}	H(C[3x6]C[6,6a]N[3x6]N[6,6])	107.9560	0.000	1	107.9560	0.000	1	107.9560	0.000	1	107.9560	0.000	1	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	3:3:3:1:	4:4:4:	4:	N[6,6]-3:N[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:	C[3x6](N[6,6]C[6,6a]C[6])2(N[6,6]C[6]2)(H)	N[6,6](C[3x6]N[6,6]2H)(C[6]C[6]HH)2	H(C[3x6]N[6,6]3)	C[3x6](N[6,6]C[6,6a]C[6])2(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,8|H<1>}	N[6,6](C[3x6]N[6,6]2H)(C[6]C[6]HH)2{2|C<3>,2|C<4>,4|H<1>}	H(C[3x6]N[6,6]3)	107.2800	0.158	2	107.2800	0.025	2	108.0027	0.706	4	108.0027	0.706	4	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	3:3:3:1:	4:4:4:	4:	N[6,6]-3:N[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:	C[3x6](N[6,6]C[6]2)3(H)	N[6,6](C[3x6]N[6,6]2H)(C[6]C[6]HH)2	H(C[3x6]N[6,6]3)	C[3x6](N[6,6]C[6]2)3(H){12|H<1>,3|C<4>}	N[6,6](C[3x6]N[6,6]2H)(C[6]C[6]HH)2{4|C<4>,4|H<1>}	H(C[3x6]N[6,6]3)	108.7255	0.054	2	108.7255	0.003	2	108.0027	0.706	4	108.0027	0.706	4	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	3:3:4:1:	3:4:2:	4:	C[6,6]-3:N[6,6]-3:C[6,6]-4:H-1:	C[6a]-3:C[3x6]-4:O[6,6]-2:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6a])(N[6,6]O[6,6]C[6a])(C[6,6]C[6,6]HH)(H)	N[6,6](C[6a]C[6a]N[6a])(C[3x6]C[6,6]2H)(O[6,6]C[3x6])	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[6a])(N[6,6]O[6,6]C[6a])(C[6,6]C[6,6]HH)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[6,6](C[6a]C[6a]N[6a])(C[3x6]C[6,6]2H)(O[6,6]C[3x6]){1|C<4>,4|C<3>,4|H<1>}	H(C[3x6]C[6,6]2N[6,6])	110.6165	0.155	4	110.6165	0.024	4	110.6165	0.024	4	110.6165	0.024	4	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	3:3:4:1:	4:4:4:	4:	N[6,6]-3:N[6]-3:C[5x6]-4:H-1:	C[4,3x6]-4:C[3x6]-4:C-4:	C[3x6]-4:	C[3x6](N[6,6]C[4,3x6]C)(N[6]C[6,6]C[6a])(C[5x6]C[4x6]2N)(H)	N[6,6](C[4,3x6]C[4,3x6]C[4,4x6]H)(C[3x6]C[5x6]N[6]H)(CC[6a]HH)	H(C[3x6]C[5x6]N[6,6]N[6])	C[3x6](N[6,6]C[4,3x6]C)(N[6]C[6,6]C[6a])(C[5x6]C[4x6]2N)(H){3|C<4>,3|H<1>,4|C<3>}	N[6,6](C[4,3x6]C[4,3x6]C[4,4x6]H)(C[3x6]C[5x6]N[6]H)(CC[6a]HH){1|H<1>,2|C<3>,2|N<3>,3|C<4>}	H(C[3x6]C[5x6]N[6,6]N[6])	108.6555	0.062	2	108.6555	0.004	2	108.6555	0.004	2	108.6555	0.004	2	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	3:4:3:1:	4:2:3:	4:	C[5,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:O[6,6]-2:C-3:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[5,6,6]HH)(N[6,6]O[6,6]C)(H)	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[5,3x6])(COO)	H(C[3x6]C[5,6,6]C[6,6]N[6,6])	C[3x6](C[5,6,6]C[5,6,6]C[5])(C[6,6]C[5,6,6]HH)(N[6,6]O[6,6]C)(H){1|O<1>,1|O<2>,4|C<4>}	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[5,3x6])(COO){2|C<3>,2|C<4>,2|H<1>}	H(C[3x6]C[5,6,6]C[6,6]N[6,6])	111.9555	0.080	2	111.9555	0.006	2	111.9555	0.006	2	111.9555	0.006	2	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	3:4:3:1:	4:4:3:	4:	N[6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2){1|C<4>,5|H<1>,6|C<3>}	H(C[3x6]C[6,6]2N[6,6])	110.0490	0.127	2	110.1333	0.029	3	110.1333	0.029	3	110.1333	0.029	3	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	3:4:3:1:	4:4:3:	4:	N[6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H)	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2){1|C<4>,5|H<1>,6|C<3>}	H(C[3x6]C[6,6]2N[6,6])	110.3020	0.000	1	110.1333	0.029	3	110.1333	0.029	3	110.1333	0.029	3	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	3:4:3:1:	4:4:4:	4:	C[5a,6,6]-3:C[5,6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[5,6,6]C[5,6]C[5]C[6])(N[6,6]C[6]2)(H)	N[6,6](C[3x6]C[5a,6,6]C[5,6,6]H)(C[6]C[6]HH)2	H(C[3x6]C[5a,6,6]C[5,6,6]N[6,6])	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[5,6,6]C[5,6]C[5]C[6])(N[6,6]C[6]2)(H){1|O<2>,3|C<3>,3|C<4>,9|H<1>}	N[6,6](C[3x6]C[5a,6,6]C[5,6,6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[3x6]C[5a,6,6]C[5,6,6]N[6,6])	107.3555	0.353	2	107.3555	0.125	2	107.3555	0.125	2	107.5262	1.746	20	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	3:4:3:1:	4:4:4:	4:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H)	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2	H(C[3x6]C[5a,6,6]C[6,6]N[6,6])	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H){2|C<3>,3|C<4>,8|H<1>}	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[3x6]C[5a,6,6]C[6,6]N[6,6])	106.9903	0.757	9	107.1687	0.400	15	107.1687	0.400	15	107.5262	1.746	20	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	3:4:3:1:	4:4:4:	4:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H)	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2	H(C[3x6]C[5a,6,6]C[6,6]N[6,6])	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H){2|C<3>,3|C<4>,8|H<1>}	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[5a,6,6]C[6,6]N[6,6])	107.5180	0.000	1	107.1687	0.400	15	107.1687	0.400	15	107.5262	1.746	20	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	3:4:3:1:	4:4:4:	4:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H)	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2	H(C[3x6]C[5a,6,6]C[6,6]N[6,6])	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,7|H<1>}	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[5a,6,6]C[6,6]N[6,6])	107.1835	0.011	2	107.1687	0.400	15	107.1687	0.400	15	107.5262	1.746	20	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	3:4:3:1:	4:4:4:	4:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H)	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2	H(C[3x6]C[5a,6,6]C[6,6]N[6,6])	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,8|H<1>}	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[3x6]C[5a,6,6]C[6,6]N[6,6])	107.4040	0.000	1	107.1687	0.400	15	107.1687	0.400	15	107.5262	1.746	20	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	3:4:3:1:	4:4:4:	4:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H)	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2	H(C[3x6]C[5a,6,6]C[6,6]N[6,6])	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,8|H<1>}	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[5a,6,6]C[6,6]N[6,6])	107.6645	0.245	2	107.1687	0.400	15	107.1687	0.400	15	107.5262	1.746	20	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	3:4:3:1:	4:4:4:	4:	C[6,6,6a]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:C-4:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(N[6,6]C[3x6]C)(H)	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[4x6]O[6]H)(CCHH)	H(C[3x6]C[6,6,6a]C[6,6]N[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(N[6,6]C[3x6]C)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[4x6]O[6]H)(CCHH){1|C<4>,3|C<3>,3|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]N[6,6])	110.6420	0.000	1	110.6420	0.000	1	110.6420	0.000	1	107.5262	1.746	20	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	3:4:3:1:	4:4:4:	4:	C[6,6,6a]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:S-4:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(N[6,6]C[6,6]S)(H)	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(SC[6a]OO)	H(C[3x6]C[6,6,6a]C[6,6]N[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(N[6,6]C[6,6]S)(H){1|C<4>,2|C<3>,5|H<1>}	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]N[6,6])	111.3110	0.000	1	111.3110	0.000	1	111.3110	0.000	1	107.5262	1.746	20	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	3:4:3:1:	4:4:4:	4:	N[3x6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H)	N[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]C[6,6]C[6]H)(C[6]C[6]HH)	H(C[3x6]C[6,6]N[3x6]N[6,6])	C[3x6](N[3x6]C[3x6]C[6,6])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H){1|C<3>,1|N<3>,5|C<4>,8|H<1>}	N[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]C[6,6]C[6]H)(C[6]C[6]HH){1|C<3>,4|H<1>,6|C<4>}	H(C[3x6]C[6,6]N[3x6]N[6,6])	106.3290	0.000	1	106.3290	0.000	1	106.3290	0.000	1	107.5262	1.746	20	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	3:4:3:1:	5:4:2:	4:	N[6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x3,4,3x5,14x6]-5:C[3x6]-4:O[6,6]-2:	C[3x6]-4:	C[3x6](N[6,6]C[3x3,4,3x5,14x6]O[6,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	N[6,6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[3x6]C[6,6]2H)(O[6,6]C[3x6])	H(C[3x6]C[6,6]2N[6,6])	C[3x6](N[6,6]C[3x3,4,3x5,14x6]O[6,6])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,3|H<1>,4|B<6>}	N[6,6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[3x6]C[6,6]2H)(O[6,6]C[3x6]){1|C<3>,1|C<4>,1|C<5>,5|B<6>,8|H<1>}	H(C[3x6]C[6,6]2N[6,6])	111.2040	0.000	1	111.2040	0.000	1	111.2040	0.000	1	111.2040	0.000	1	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	3:4:4:1:	4:2:3:	4:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:O[6,6]-2:C[6a]-3:	C[3x6]-4:	C[3x6](N[6,6]O[6,6]C[6a])(C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(H)	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(C[6a]C[6a]2)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](N[6,6]O[6,6]C[6a])(C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(C[6a]C[6a]2){3|C<3>,3|C<4>,5|H<1>}	H(C[3x6]C[6,6]2N[6,6])	109.4200	0.080	4	109.4200	0.006	4	109.4200	0.006	4	109.4200	0.006	4	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	3:4:4:1:	4:3:3:	4:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6a]-3:N[6,6]-3:	C[3x6]-4:	C[3x6](N[6,6]N[6,6]C[6a])(C[6,6]C[6,6]HH)2(H)	N[6,6](C[3x6]C[6,6]2H)(C[6a]C[6a,6a]2)(N[6,6]C[3x6]C)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](N[6,6]N[6,6]C[6a])(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6a]C[6a,6a]2)(N[6,6]C[3x6]C){2|C<4>,4|C<3>,5|H<1>}	H(C[3x6]C[6,6]2N[6,6])	109.9600	0.000	1	109.9600	0.000	1	109.9600	0.000	1	110.1390	0.077	5	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	3:4:4:1:	4:3:3:	4:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:N[6,6]-3:C[6a]-3:	C[3x6]-4:	C[3x6](N[6,6]N[6,6]C[6a])(C[6,6]C[6,6]HH)2(H)	N[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](N[6,6]N[6,6]C[6a])(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	N[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2){2|C<3>,2|C<4>,7|H<1>}	H(C[3x6]C[6,6]2N[6,6])	110.1838	0.299	4	110.1838	0.089	4	110.1838	0.089	4	110.1390	0.077	5	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	3:4:4:1:	4:4:3:	4:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:C[6]-3:	C[3x6]-4:	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H){10|H<1>,1|C<3>,1|N<3>,2|C<4>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H){1|C<3>,4|H<1>,6|C<4>}	H(C[3x6]C[6,6]2N[6,6])	107.4720	0.000	1	107.3705	0.021	2	107.3705	0.021	2	108.1487	1.827	3	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	3:4:4:1:	4:4:3:	4:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:C[6]-3:	C[3x6]-4:	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H){10|H<1>,1|C<3>,1|N<3>,2|C<4>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H){4|H<1>,7|C<4>}	H(C[3x6]C[6,6]2N[6,6])	107.2690	0.000	1	107.3705	0.021	2	107.3705	0.021	2	108.1487	1.827	3	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	3:4:4:1:	4:4:3:	4:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(H)	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)2(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2){1|C<4>,1|O<2>,5|C<3>,6|H<1>}	H(C[3x6]C[6,6]2N[6,6])	109.7050	0.000	1	109.7050	0.000	1	109.7050	0.000	1	108.1487	1.827	3	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	3:4:4:1:	4:4:4:	4:	N[6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[3x6]-4:C[6]-4:	C[3x6]-4:	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]HH)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](N[6,6]C[6,6]C[6])(C[6,6]C[6]2H)2(H){11|H<1>,1|N<3>,3|C<4>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]HH){6|C<4>,6|H<1>}	H(C[3x6]C[6,6]2N[6,6])	106.5610	0.000	1	106.5610	0.000	1	106.5610	0.000	1	106.5610	0.000	1	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	4:3:2:1:	4:4:4:	4:	C[3,6,6]-4:N[6,6]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6]-4:C-4:	C[3x6]-4:	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(N[6,6]C[6,6]C)(O[6,6]C[6,6])(H)	N[6,6](C[3x6]C[3,6,6]O[6,6]H)(C[6,6]C[3x6]CH)(CH3)	H(C[3x6]C[3,6,6]N[6,6]O[6,6])	C[3x6](C[3,6,6]C[6,6]C[3]O[3])(N[6,6]C[6,6]C)(O[6,6]C[6,6])(H){4|C<4>,5|H<1>}	N[6,6](C[3x6]C[3,6,6]O[6,6]H)(C[6,6]C[3x6]CH)(CH3){1|C<3>,1|O<2>,3|C<4>}	H(C[3x6]C[3,6,6]N[6,6]O[6,6])	109.7665	0.098	2	109.7665	0.010	2	109.7665	0.010	2	109.1230	0.593	4	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	4:3:2:1:	4:4:4:	4:	C[4x6]-4:N[6,6]-3:O[6]-2:H-1:	C[3x6]-4:C[3x6]-4:C-4:	C[3x6]-4:	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(N[6,6]C[3x6]C)(O[6]C[6,6a])(H)	N[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[3x6]C[4x6]O[6]H)(CH3)	H(C[3x6]C[4x6]N[6,6]O[6])	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(N[6,6]C[3x6]C)(O[6]C[6,6a])(H){3|C<4>,4|C<3>}	N[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[3x6]C[4x6]O[6]H)(CH3){1|C<4>,3|C<3>,3|H<1>}	H(C[3x6]C[4x6]N[6,6]O[6])	108.2410	0.000	1	108.2410	0.000	1	108.4795	0.114	2	109.1230	0.593	4	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	4:3:2:1:	4:4:4:	4:	C[4x6]-4:N[6,6]-3:O[6]-2:H-1:	C[3x6]-4:C[3x6]-4:C-4:	C[3x6]-4:	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(N[6,6]C[3x6]C)(O[6]C[6,6a])(H)	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[4x6]O[6]H)(CCHH)	H(C[3x6]C[4x6]N[6,6]O[6])	C[3x6](C[4x6]C[6,6,6a]C[3x6]H)(N[6,6]C[3x6]C)(O[6]C[6,6a])(H){1|H<1>,2|C<4>,4|C<3>}	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[4x6]O[6]H)(CCHH){1|C<4>,3|C<3>,3|H<1>}	H(C[3x6]C[4x6]N[6,6]O[6])	108.7180	0.000	1	108.7180	0.000	1	108.4795	0.114	2	109.1230	0.593	4	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	4:3:3:1:	4:2:3:	4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:O[6,6]-2:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(H)	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(CNO)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(H){1|C<4>,3|H<1>}	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(CNO){1|C<3>,1|C<4>,4|H<1>}	H(C[3x6]C[6,6]2N[6,6])	111.1557	0.158	3	111.1557	0.025	3	109.8423	6.917	4	109.8423	6.917	4	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	4:3:3:1:	4:2:3:	4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:O[6,6]-2:C-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(H)	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(COO)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(N[6,6]O[6,6]C)(H){1|C<4>,3|H<1>}	N[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(COO){1|C<3>,1|C<4>,4|H<1>}	H(C[3x6]C[6,6]2N[6,6])	105.9020	0.000	1	105.9020	0.000	1	109.8423	6.917	4	109.8423	6.917	4	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:N[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:H-1:	C[3x6]-4:	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]H)2(H)	N[6,6](C[3x6]C[6,6]N[6,6]H)2(H)	H(C[3x6]C[6,6]N[6,6]2)	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]H)2(H){1|N<3>,2|H<1>,3|C<4>}	N[6,6](C[3x6]C[6,6]N[6,6]H)2(H){1|C<4>,1|N<4>,6|H<1>}	H(C[3x6]C[6,6]N[6,6]2)	108.7074	0.136	5	108.7074	0.018	5	108.7074	0.018	5	108.7074	0.018	5	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	4:3:3:1:	4:4:3:	4:	C[3x6]-4:N[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[3x6]-4:	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2)2(H)	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[3x6]C[3x6]N[6,6]2)	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2)2(H){1|O<1>,5|C<4>,6|H<1>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]O){2|N<3>,3|C<4>,4|H<1>}	H(C[3x6]C[3x6]N[6,6]2)	106.8630	0.000	1	106.8630	0.000	1	106.8630	0.000	1	110.0832	3.246	5	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	4:3:3:1:	4:4:3:	4:	C[5,6,6]-4:N[6,6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]H)(H)	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C[6a]H)(C[6a]C[6a]2)	H(C[3x6]C[5,6,6]C[6,6]N[6,6])	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C[6a]H)(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	H(C[3x6]C[5,6,6]C[6,6]N[6,6])	110.8410	0.000	1	110.8410	0.000	1	110.8410	0.000	1	110.0832	3.246	5	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	4:3:3:1:	4:4:3:	4:	C[6,6]-4:N[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:N-3:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)(N[6,6]C[3x6]N)2(H)	N[6,6](C[3x6]C[6,6]N[6,6]H)2(NOO)	H(C[3x6]C[6,6]N[6,6]2)	C[3x6](C[6,6]C[3x6]HH)(N[6,6]C[3x6]N)2(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	N[6,6](C[3x6]C[6,6]N[6,6]H)2(NOO){2|C<4>,2|N<3>,4|H<1>}	H(C[3x6]C[6,6]N[6,6]2)	110.9040	0.100	3	110.9040	0.010	3	110.9040	0.010	3	110.0832	3.246	5	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	4:3:3:1:	4:4:4:	4:	C[3x6]-4:N[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2)2(H)	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2	H(C[3x6]C[3x6]N[6,6]2)	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2)2(H){1|C<3>,4|C<4>,8|H<1>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2{2|C<4>,2|N<3>,5|H<1>}	H(C[3x6]C[3x6]N[6,6]2)	107.0040	0.007	2	107.1178	0.095	4	107.1178	0.095	4	108.7873	2.814	11	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	4:3:3:1:	4:4:4:	4:	C[3x6]-4:N[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2)2(H)	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2	H(C[3x6]C[3x6]N[6,6]2)	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2)2(H){1|O<1>,5|C<4>,6|H<1>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2{1|C<3>,2|C<4>,2|N<3>,4|H<1>}	H(C[3x6]C[3x6]N[6,6]2)	106.8900	0.000	1	107.1178	0.095	4	107.1178	0.095	4	108.7873	2.814	11	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	4:3:3:1:	4:4:4:	4:	C[3x6]-4:N[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2)2(H)	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2	H(C[3x6]C[3x6]N[6,6]2)	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2)2(H){1|O<1>,6|C<4>,6|H<1>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,1|N<4>,2|C<4>,4|H<1>}	H(C[3x6]C[3x6]N[6,6]2)	107.5730	0.000	1	107.1178	0.095	4	107.1178	0.095	4	108.7873	2.814	11	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	4:3:3:1:	4:4:4:	4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH){1|H<1>,2|C<3>,3|C<4>}	H(C[3x6]C[6,6]2N[6,6])	109.8150	0.000	1	109.8175	0.000	2	109.8175	0.000	2	108.7873	2.814	11	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	4:3:3:1:	4:4:4:	4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH){1|H<1>,2|C<4>,3|C<3>}	H(C[3x6]C[6,6]2N[6,6])	109.8200	0.000	1	109.8175	0.000	2	109.8175	0.000	2	108.7873	2.814	11	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	4:3:3:1:	4:4:4:	4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:S-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(N[6,6]C[6,6]S)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(SC[6a]OO)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(N[6,6]C[6,6]S)(H){1|N<3>,2|C<4>,3|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(SC[6a]OO){1|C<3>,1|C<4>,4|H<1>}	H(C[3x6]C[6,6]2N[6,6])	110.6730	0.000	1	110.6730	0.000	1	110.6730	0.000	1	108.7873	2.814	11	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	4:3:3:1:	4:4:4:	4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[6,6]-4:C[3x6]-4:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H)	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(CC[6a]HH)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	H(C[3x6]C[6,6]2N[6,6])	109.9680	0.000	1	109.9680	0.000	1	109.9680	0.000	1	108.7873	2.814	11	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	4:3:3:1:	4:4:4:	4:	C[6,6]-4:C[6,6]-3:N[6,6]-3:H-1:	C[6,6]-4:C[3x6]-4:S-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(N[6,6]C[6,6]S)(H)	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(SC[6a]OO)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(N[6,6]C[6,6]S)(H){1|C<3>,1|C<4>,4|H<1>}	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(SC[6a]OO){1|C<4>,3|C<3>,4|H<1>}	H(C[3x6]C[6,6]2N[6,6])	111.6760	0.000	1	111.6760	0.000	1	111.6760	0.000	1	108.7873	2.814	11	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	4:3:3:1:	4:4:4:	4:	C[6,6]-4:N[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[6,6]N[6]2C)(N[6,6]C[6]2)2(H)	N[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2	H(C[3x6]C[6,6]N[6,6]2)	C[3x6](C[6,6]N[6]2C)(N[6,6]C[6]2)2(H){10|H<1>,3|C<4>}	N[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2{2|N<3>,3|C<4>,4|H<1>}	H(C[3x6]C[6,6]N[6,6]2)	108.1185	0.624	2	108.1185	0.390	2	108.1185	0.390	2	108.7873	2.814	11	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	4:4:3:1:	3:4:4:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	N[6,6]-3:C[3x6]-4:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(N[6,6]N[6,6]C)(H)	N[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(CC3)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]HH)2(N[6,6]N[6,6]C)(H){1|C<3>,1|C<4>,4|H<1>}	N[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(CC3){2|C<3>,2|C<4>,5|H<1>}	H(C[3x6]C[6,6]2N[6,6])	109.8233	0.490	4	109.8233	0.240	4	109.8233	0.240	4	109.8233	0.240	4	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]O)(H)	N[6,6](C[3x6]C[6,6]2H)2(O)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]O)(H){1|N<3>,2|C<4>,3|H<1>}	N[6,6](C[3x6]C[6,6]2H)2(O){2|C<4>,8|H<1>}	H(C[3x6]C[6,6]2N[6,6])	110.1030	0.045	2	109.9165	0.057	4	109.9165	0.057	4	109.9165	0.057	4	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:O-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]O)(H)	N[6,6](C[3x6]C[6,6]2H)2(O)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[3x6]O)(H){3|C<4>,3|H<1>}	N[6,6](C[3x6]C[6,6]2H)2(O){2|C<4>,8|H<1>}	H(C[3x6]C[6,6]2N[6,6])	109.7300	0.171	2	109.9165	0.057	4	109.9165	0.057	4	109.9165	0.057	4	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H){10|H<1>,1|C<3>,1|N<3>,2|C<4>}	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]H){4|H<1>,5|C<4>}	H(C[3x6]C[6,6]2N[6,6])	108.4550	0.165	2	108.4550	0.027	2	108.4550	0.027	2	108.4550	0.027	2	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	4:4:3:1:	4:4:4:	4:	C[3x6]-4:N[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H)	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2	H(C[3x6]C[3x6]N[6,6]2)	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H){1|C<3>,4|C<4>,8|H<1>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2{2|N<3>,3|C<4>,5|H<1>}	H(C[3x6]C[3x6]N[6,6]2)	108.6520	0.000	1	109.1468	0.079	6	109.1468	0.079	6	108.7876	0.556	35	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	4:4:3:1:	4:4:4:	4:	C[3x6]-4:N[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H)	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2	H(C[3x6]C[3x6]N[6,6]2)	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H){6|C<4>,8|H<1>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2{1|N<3>,1|N<4>,3|C<4>,5|H<1>}	H(C[3x6]C[3x6]N[6,6]2)	109.2925	0.138	4	109.1468	0.079	6	109.1468	0.079	6	108.7876	0.556	35	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	4:4:3:1:	4:4:4:	4:	C[3x6]-4:N[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H)	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2	H(C[3x6]C[3x6]N[6,6]2)	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H){6|C<4>,8|H<1>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2{1|N<3>,1|N<4>,4|C<4>,4|H<1>}	H(C[3x6]C[3x6]N[6,6]2)	109.0590	0.000	1	109.1468	0.079	6	109.1468	0.079	6	108.7876	0.556	35	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	4:4:3:1:	4:4:4:	4:	C[5,3x6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,6,6]N[5,6]O[6])(C[6,6]C[6,6]HH)(N[6,6]C[6]2)(H)	N[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)2	H(C[3x6]C[5,3x6]C[6,6]N[6,6])	C[3x6](C[5,3x6]C[5,6,6]N[5,6]O[6])(C[6,6]C[6,6]HH)(N[6,6]C[6]2)(H){2|C<4>,5|C<3>,5|H<1>}	N[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[3x6]C[5,3x6]C[6,6]N[6,6])	108.2810	0.000	1	108.2810	0.000	1	108.2810	0.000	1	108.7876	0.556	35	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	4:4:3:1:	4:4:4:	4:	C[5,5,6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[5,5,6,6]C[5,5,6]N[5,6]O[5])(C[6,6]C[6,6]HH)(N[6,6]C[6]2)(H)	N[6,6](C[3x6]C[5,5,6,6]C[6,6]H)(C[6]C[6]HH)2	H(C[3x6]C[5,5,6,6]C[6,6]N[6,6])	C[3x6](C[5,5,6,6]C[5,5,6]N[5,6]O[5])(C[6,6]C[6,6]HH)(N[6,6]C[6]2)(H){2|C<4>,5|C<3>,5|H<1>}	N[6,6](C[3x6]C[5,5,6,6]C[6,6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[3x6]C[5,5,6,6]C[6,6]N[6,6])	107.7290	0.000	1	107.7290	0.000	1	107.7290	0.000	1	108.7876	0.556	35	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	4:4:3:1:	4:4:4:	4:	C[5,6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]HH)(N[6,6]C[6]2)(H)	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)2	H(C[3x6]C[5,6,6]C[6,6]N[6,6])	C[3x6](C[5,6,6]C[5,6,6]N[5]H)(C[6,6]C[6,6]HH)(N[6,6]C[6]2)(H){3|C<3>,3|C<4>,5|H<1>}	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[3x6]C[5,6,6]C[6,6]N[6,6])	109.7380	0.000	1	109.7380	0.000	1	109.7380	0.000	1	108.7876	0.556	35	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	4:4:3:1:	4:4:4:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[3x6]-4:S-4:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]BrH)(C[6,6]C[3x6]HH)(N[6,6]C[3x6]S)(H)	N[6,6](C[3x6]C[6,6]2H)2(SC[6a]OO)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[3x6]BrH)(C[6,6]C[3x6]HH)(N[6,6]C[3x6]S)(H){1|O<2>,2|C<4>,3|H<1>}	N[6,6](C[3x6]C[6,6]2H)2(SC[6a]OO){2|Br<1>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6]2N[6,6])	110.6385	0.148	2	110.6385	0.022	2	110.6385	0.022	2	108.7876	0.556	35	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	4:4:3:1:	4:4:4:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CCHH)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CCHH){2|C<3>,2|H<1>,3|C<4>}	H(C[3x6]C[6,6]2N[6,6])	109.2120	0.000	1	109.2120	0.000	1	109.0722	0.079	11	108.7876	0.556	35	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	4:4:3:1:	4:4:4:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH){1|C<3>,2|H<1>,4|C<4>}	H(C[3x6]C[6,6]2N[6,6])	109.4230	0.000	1	109.3827	0.005	3	109.0722	0.079	11	108.7876	0.556	35	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	4:4:3:1:	4:4:4:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH){2|C<3>,2|H<1>,3|C<4>}	H(C[3x6]C[6,6]2N[6,6])	109.3625	0.087	2	109.3827	0.005	3	109.0722	0.079	11	108.7876	0.556	35	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	4:4:3:1:	4:4:4:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]2N[6,6])	109.2125	0.060	2	108.9191	0.051	7	109.0722	0.079	11	108.7876	0.556	35	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	4:4:3:1:	4:4:4:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH){1|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[6,6]2N[6,6])	108.8222	0.133	4	108.9191	0.051	7	109.0722	0.079	11	108.7876	0.556	35	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	4:4:3:1:	4:4:4:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH){2|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6]2N[6,6])	108.7200	0.000	1	108.9191	0.051	7	109.0722	0.079	11	108.7876	0.556	35	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	4:4:3:1:	4:4:4:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[6,6]C[3,6]C[6,6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6]C[3,6]CH)(C[6]C[6]HH)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[3,6]C[6,6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H){1|C<2>,1|N<3>,1|O<2>,3|C<4>,9|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6]C[3,6]CH)(C[6]C[6]HH){1|O<2>,4|H<1>,5|C<4>}	H(C[3x6]C[6,6]2N[6,6])	108.9850	0.000	1	108.9850	0.000	1	108.1585	0.150	11	108.7876	0.556	35	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	4:4:3:1:	4:4:4:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6]C[3,6]CH)(C[6]C[6]HH)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[3,6]C[6]H)(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H){1|C<2>,1|N<3>,1|O<2>,3|C<4>,9|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6]C[3,6]CH)(C[6]C[6]HH){1|O<2>,4|H<1>,5|C<4>}	H(C[3x6]C[6,6]2N[6,6])	108.2170	0.000	1	108.2170	0.000	1	108.1585	0.150	11	108.7876	0.556	35	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	4:4:3:1:	4:4:4:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]2H)(C[6]C[6]HH)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H){10|H<1>,1|C<3>,1|N<3>,3|C<4>}	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]2H)(C[6]C[6]HH){1|C<3>,5|C<4>,6|H<1>}	H(C[3x6]C[6,6]2N[6,6])	108.1135	0.161	2	108.1135	0.026	2	108.1585	0.150	11	108.7876	0.556	35	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	4:4:3:1:	4:4:4:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H){11|H<1>,1|N<3>,3|C<4>}	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2{4|C<4>,6|H<1>}	H(C[3x6]C[6,6]2N[6,6])	108.1820	0.331	4	108.0962	0.119	5	108.1585	0.150	11	108.7876	0.556	35	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	4:4:3:1:	4:4:4:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H){11|H<1>,1|N<4>,3|C<4>}	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2{4|C<4>,6|H<1>}	H(C[3x6]C[6,6]2N[6,6])	107.7530	0.000	1	108.0962	0.119	5	108.1585	0.150	11	108.7876	0.556	35	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	4:4:3:1:	4:4:4:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H){11|H<1>,1|O<2>,3|C<4>}	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2{1|C<3>,4|C<4>,5|H<1>}	H(C[3x6]C[6,6]2N[6,6])	107.6260	0.000	1	107.6260	0.000	1	108.1585	0.150	11	108.7876	0.556	35	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	4:4:3:1:	4:4:4:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[6,6]C[6]2C)(C[6,6]C[6]2O)(N[6,6]C[6]2)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6]2C)(C[6,6]C[6]2O)(N[6,6]C[6]2)(H){11|H<1>,1|O<2>,3|C<4>}	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[3x6]C[6,6]2N[6,6])	108.2080	0.000	1	108.2080	0.000	1	108.1585	0.150	11	108.7876	0.556	35	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	4:4:3:1:	4:4:4:	4:	C[6,6]-4:C[6,6]-4:N[6,6]-3:H-1:	C[6]-4:C[3x6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H)	N[6,6](C[6]C[3,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]HH)	H(C[3x6]C[6,6]2N[6,6])	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2)(H){10|H<1>,1|N<3>,4|C<4>}	N[6,6](C[6]C[3,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]HH){1|O<2>,6|C<4>,6|H<1>}	H(C[3x6]C[6,6]2N[6,6])	108.0610	0.052	2	108.0610	0.003	2	108.0610	0.003	2	108.7876	0.556	35	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[3x6]	N[6,6]	H	5:4:3:1:	4:4:4:	4:	C[3x6]-5:N[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[3x6]-4:	C[3x6](C[3x6]N[6,6]2CuH)(N[6,6]C[6]2Cu)(N[6,6]C[6]2)(H)	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]CC)(C[6]C[6]HH)	H(C[3x6]C[3x6]N[6,6]2)	C[3x6](C[3x6]N[6,6]2CuH)(N[6,6]C[6]2Cu)(N[6,6]C[6]2)(H){5|H<1>,8|C<4>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]CC)(C[6]C[6]HH){1|Cu<6>,2|C<4>,2|N<4>,5|H<1>}	H(C[3x6]C[3x6]N[6,6]2)	107.7700	0.000	1	107.7700	0.000	1	107.7700	0.000	1	107.7700	0.000	1	108.8729	1.956	128	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[4x6]	N[3x6]	H	4:3:4:1:	4:4:4:	4:	C[3x6]-4:N[3x6]-3:C[6,6]-4:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:	C[4x6]-4:	C[4x6](C[3x6]C[5,6]C[6,6]C)(N[3x6]C[6,6]C[6])(C[6,6]C[6,6]CH)(H)	N[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6]HH)	H(C[4x6]C[3x6]C[6,6]N[3x6])	C[4x6](C[3x6]C[5,6]C[6,6]C)(N[3x6]C[6,6]C[6])(C[6,6]C[6,6]CH)(H){1|C<3>,1|N<3>,2|C<4>,8|H<1>}	N[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,4|H<1>}	H(C[4x6]C[3x6]C[6,6]N[3x6])	109.2080	0.000	1	109.2080	0.000	1	109.2080	0.000	1	109.2080	0.000	1	109.2080	0.000	1	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:2:1:1:	4:4:4:	4:	N[3x6]-3:C[6,6]-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)(C[6,6]N[3x6])(H)2	N[3x6](C[6,6]C[6,6]HH)3	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2)(C[6,6]N[3x6])(H)2{2|C<2>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3{1|N<3>}	H(C[6,6]C[6,6]N[3x6]H)	109.0090	0.018	2	109.0090	0.000	2	109.0090	0.000	2	108.9873	0.001	4	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:2:1:1:	4:4:4:	4:	N[3x6]-3:O[6,6]-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)(O[6,6]C[4x6])(H)2	N[3x6](C[6,6]C[3x6]C[6a]H)2(C[6,6]O[6,6]HH)	H(C[6,6]N[3x6]O[6,6]H)	C[6,6](N[3x6]C[6,6]2)(O[6,6]C[4x6])(H)2{2|C<3>,2|C<4>,3|H<1>}	N[3x6](C[6,6]C[3x6]C[6a]H)2(C[6,6]O[6,6]HH){2|H<1>,3|C<4>,4|C<3>}	H(C[6,6]N[3x6]O[6,6]H)	108.9655	0.037	2	108.9655	0.001	2	108.9655	0.001	2	108.9873	0.001	4	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	3:4:4:	4:	C[6,6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[5,6,6]C[6a])(C[6,6]C[6,6]HH)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[5,3x6]C)(N[3x6]C[6,6]2)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[3x6](C[6,6]C[5,6,6]C[6a])(C[6,6]C[6,6]HH)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]N[3x6]H)	109.3575	0.021	2	109.3575	0.000	2	109.3575	0.000	2	109.3575	0.000	2	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	C[6,6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]N)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]HH)3	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]N)(N[3x6]C[6,6]2)(H)2{2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)3{1|C<4>,1|N<2>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.5423	0.040	3	109.5423	0.002	3	108.2836	3.769	7	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	C[6,6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]HH)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[5,3x6]C)(N[3x6]C[6,6]2)(H)2{2|C<3>,2|H<1>,3|C<4>}	N[3x6](C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]HH)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.2195	0.015	2	109.2195	0.000	2	108.2836	3.769	7	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	C[6,6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]H)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]HH)3	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]H)(N[3x6]C[6,6]2)(H)2{2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)3{1|N<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	105.4595	0.397	2	105.4595	0.157	2	108.2836	3.769	7	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]C[3x6]C[6a]H)2(C[6,6]N[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{2|C<4>,4|C<3>,4|H<1>}	N[3x6](C[6,6]C[3x6]C[6a]H)2(C[6,6]N[3x6]HH){2|C<4>,2|H<1>,5|C<3>}	H(C[6,6]N[3x6]2H)	108.6726	0.089	7	108.6726	0.008	7	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]C[3x6]HH)(C[6,6]N[3x6]HH)2	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|C<4>,1|N<3>,8|H<1>}	N[3x6](C[6,6]C[3x6]HH)(C[6,6]N[3x6]HH)2{1|N<3>,3|C<4>}	H(C[6,6]N[3x6]2H)	108.9143	0.099	15	108.9143	0.010	15	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|C<3>,1|N<3>,1|P<4>,7|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH){1|O<1>,3|C<4>}	H(C[6,6]N[3x6]2H)	108.6458	0.018	4	108.6450	0.013	42	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|C<4>,1|N<3>,1|P<3>,7|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH){3|C<4>}	H(C[6,6]N[3x6]2H)	108.6226	0.126	19	108.6450	0.013	42	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|C<4>,1|N<3>,1|P<4>,7|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH){1|O<1>,3|C<4>}	H(C[6,6]N[3x6]2H)	108.5799	0.055	7	108.6450	0.013	42	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|C<4>,1|N<3>,1|P<4>,7|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH){1|Ru<9>,3|C<4>}	H(C[6,6]N[3x6]2H)	108.7181	0.099	12	108.6450	0.013	42	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|C<3>,1|N<3>,1|P<4>,7|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|O<1>,3|C<4>}	H(C[6,6]N[3x6]2H)	108.6997	0.018	3	108.6695	0.637	1136	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|C<4>,1|N<3>,1|P<3>,7|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){3|C<4>}	H(C[6,6]N[3x6]2H)	108.6163	0.125	19	108.6695	0.637	1136	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|C<4>,1|N<3>,1|P<4>,7|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|O<1>,3|C<4>}	H(C[6,6]N[3x6]2H)	108.6036	0.096	8	108.6695	0.637	1136	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|C<4>,1|N<3>,1|P<4>,7|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<9>,3|C<4>}	H(C[6,6]N[3x6]2H)	108.6921	0.111	10	108.6695	0.637	1136	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){3|C<4>}	H(C[6,6]N[3x6]2H)	108.7190	0.078	22	108.6695	0.637	1136	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,7|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Pd<4>,1|C<3>,2|C<4>}	H(C[6,6]N[3x6]2H)	106.6128	1.032	4	108.6695	0.637	1136	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Co<5>,3|C<4>}	H(C[6,6]N[3x6]2H)	108.6813	0.028	8	108.6695	0.637	1136	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Fe<5>,3|C<4>}	H(C[6,6]N[3x6]2H)	108.2896	0.910	27	108.6695	0.637	1136	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Fe<6>,3|C<4>}	H(C[6,6]N[3x6]2H)	108.6361	0.085	17	108.6695	0.637	1136	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Fe<8>,3|C<4>}	H(C[6,6]N[3x6]2H)	108.6352	0.116	43	108.6695	0.637	1136	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ir<5>,3|C<4>}	H(C[6,6]N[3x6]2H)	108.7122	0.116	29	108.6695	0.637	1136	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Mn<6>,3|C<4>}	H(C[6,6]N[3x6]2H)	108.5719	0.054	7	108.6695	0.637	1136	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Mo<6>,3|C<4>}	H(C[6,6]N[3x6]2H)	108.3355	2.818	4	108.6695	0.637	1136	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Mo<9>,3|C<4>}	H(C[6,6]N[3x6]2H)	108.5937	0.009	3	108.6695	0.637	1136	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|N<3>,3|C<4>}	H(C[6,6]N[3x6]2H)	108.7124	0.062	12	108.6695	0.637	1136	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ni<4>,3|C<4>}	H(C[6,6]N[3x6]2H)	108.5703	0.092	20	108.6695	0.637	1136	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|O<1>,3|C<4>}	H(C[6,6]N[3x6]2H)	108.5981	0.081	9	108.6695	0.637	1136	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Os<9>,3|C<4>}	H(C[6,6]N[3x6]2H)	108.7904	0.148	26	108.6695	0.637	1136	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Pd<4>,3|C<4>}	H(C[6,6]N[3x6]2H)	108.6172	1.783	156	108.6695	0.637	1136	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Pt<4>,3|C<4>}	H(C[6,6]N[3x6]2H)	108.6499	0.183	125	108.6695	0.637	1136	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Re<5>,3|C<4>}	H(C[6,6]N[3x6]2H)	108.7585	0.386	11	108.6695	0.637	1136	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Re<6>,3|C<4>}	H(C[6,6]N[3x6]2H)	108.7369	0.347	69	108.6695	0.637	1136	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Rh<6>,3|C<4>}	H(C[6,6]N[3x6]2H)	108.7553	0.131	29	108.6695	0.637	1136	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Rh<8>,3|C<4>}	H(C[6,6]N[3x6]2H)	108.6339	0.077	27	108.6695	0.637	1136	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<10>,3|C<4>}	H(C[6,6]N[3x6]2H)	108.6559	0.064	9	108.6695	0.637	1136	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<6>,3|C<4>}	H(C[6,6]N[3x6]2H)	108.6130	1.037	49	108.6695	0.637	1136	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<8>,3|C<4>}	H(C[6,6]N[3x6]2H)	108.6862	0.237	79	108.6695	0.637	1136	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<9>,3|C<4>}	H(C[6,6]N[3x6]2H)	108.6326	0.126	189	108.6695	0.637	1136	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|W<6>,3|C<4>}	H(C[6,6]N[3x6]2H)	108.7297	0.209	21	108.6695	0.637	1136	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|W<9>,3|C<4>}	H(C[6,6]N[3x6]2H)	108.6168	0.517	12	108.6695	0.637	1136	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,2|P<3>,7|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){3|C<4>}	H(C[6,6]N[3x6]2H)	107.9020	0.018	4	108.6695	0.637	1136	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,2|P<4>,7|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Mo<6>,3|C<4>}	H(C[6,6]N[3x6]2H)	109.6925	0.690	4	108.6695	0.637	1136	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,2|P<4>,7|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|W<6>,3|C<4>}	H(C[6,6]N[3x6]2H)	108.4135	0.026	4	108.6695	0.637	1136	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<4>,1|P<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){4|C<4>}	H(C[6,6]N[3x6]2H)	109.0273	0.014	4	108.6695	0.637	1136	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<4>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Co<6>,1|O<1>,3|C<4>}	H(C[6,6]N[3x6]2H)	108.9020	0.043	3	108.6695	0.637	1136	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<4>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Cu<4>,4|C<4>}	H(C[6,6]N[3x6]2H)	109.2027	0.156	14	108.6695	0.637	1136	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<4>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|O<1>,4|C<4>}	H(C[6,6]N[3x6]2H)	110.6202	2.907	4	108.6695	0.637	1136	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<4>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Pd<4>,1|H<1>,3|C<4>}	H(C[6,6]N[3x6]2H)	108.9367	0.058	3	108.6695	0.637	1136	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<4>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Pd<4>,1|N<2>,3|C<4>}	H(C[6,6]N[3x6]2H)	108.9490	0.051	6	108.6695	0.637	1136	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<4>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Pt<4>,1|H<1>,3|C<4>}	H(C[6,6]N[3x6]2H)	109.0678	0.966	4	108.6695	0.637	1136	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<4>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Re<6>,1|H<1>,3|C<4>}	H(C[6,6]N[3x6]2H)	109.1400	0.216	8	108.6695	0.637	1136	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<4>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<6>,4|C<4>}	H(C[6,6]N[3x6]2H)	108.8546	0.834	23	108.6695	0.637	1136	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<4>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<8>,1|H<1>,3|C<4>}	H(C[6,6]N[3x6]2H)	108.5888	0.020	4	108.6695	0.637	1136	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<4>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<8>,4|C<4>}	H(C[6,6]N[3x6]2H)	109.3410	0.072	4	108.6695	0.637	1136	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HP)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,2|P<3>,7|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HP){3|C<4>}	H(C[6,6]N[3x6]2H)	107.9263	0.015	3	107.5623	2.233	11	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HP)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,2|P<4>,7|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HP){1|Mo<6>,3|C<4>}	H(C[6,6]N[3x6]2H)	106.4663	2.191	4	107.5623	2.233	11	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HP)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,2|P<4>,7|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HP){1|W<6>,3|C<4>}	H(C[6,6]N[3x6]2H)	108.3852	0.082	4	107.5623	2.233	11	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)3	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3{1|Al<4>,3|C<4>}	H(C[6,6]N[3x6]2H)	109.2748	0.064	10	109.0043	1.798	1582	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)3	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3{1|B<4>,3|C<4>}	H(C[6,6]N[3x6]2H)	109.2090	0.096	18	109.0043	1.798	1582	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)3	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3{1|Cd<6>,3|C<4>}	H(C[6,6]N[3x6]2H)	109.2115	0.047	16	109.0043	1.798	1582	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)3	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3{1|Co<6>,3|C<4>}	H(C[6,6]N[3x6]2H)	109.3235	0.026	4	109.0043	1.798	1582	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)3	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3{1|Cu<4>,3|C<4>}	H(C[6,6]N[3x6]2H)	108.9830	0.115	11	109.0043	1.798	1582	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)3	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3{1|D<1>,3|C<4>}	H(C[6,6]N[3x6]2H)	109.2266	0.068	19	109.0043	1.798	1582	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)3	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3{1|H<1>,3|C<4>}	H(C[6,6]N[3x6]2H)	109.1673	0.661	211	109.0043	1.798	1582	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)3	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3{1|Mn<6>,3|C<4>}	H(C[6,6]N[3x6]2H)	109.2371	0.109	28	109.0043	1.798	1582	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)3	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3{1|Ni<5>,3|C<4>}	H(C[6,6]N[3x6]2H)	109.3873	0.102	11	109.0043	1.798	1582	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)3	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3{1|Ni<6>,3|C<4>}	H(C[6,6]N[3x6]2H)	109.3344	0.037	9	109.0043	1.798	1582	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)3	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3{1|O<1>,3|C<4>}	H(C[6,6]N[3x6]2H)	109.2954	0.037	60	109.0043	1.798	1582	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)3	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3{4|C<4>}	H(C[6,6]N[3x6]2H)	109.3432	0.122	38	109.0043	1.798	1582	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)3	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3{3|C<4>}	H(C[6,6]N[3x6]2H)	108.9205	1.545	1140	109.0043	1.798	1582	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)3	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{2|N<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3{2|Fe<8>,3|C<4>}	H(C[6,6]N[3x6]2H)	109.5118	0.071	4	109.0043	1.798	1582	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	N[3x6](C[6,6]N[3x6]HH)3	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{2|N<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3{2|Zn<4>,3|C<4>}	H(C[6,6]N[3x6]2H)	109.0810	0.063	3	109.0043	1.798	1582	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]S[6,6])(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]S[6,6])(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,2|O<1>,6|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Pd<4>,1|S<4>,2|C<4>}	H(C[6,6]N[3x6]2H)	108.6895	0.095	4	108.7621	0.021	13	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]S[6,6])(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]S[6,6])(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,2|O<1>,6|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Rh<8>,1|S<4>,2|C<4>}	H(C[6,6]N[3x6]2H)	108.7701	0.148	8	108.7621	0.021	13	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]S[6,6])(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]S[6,6])(N[3x6]C[6,6]2)(H)2{1|N<4>,1|P<4>,2|O<1>,6|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Rh<8>,1|H<1>,1|S<4>,2|C<4>}	H(C[6,6]N[3x6]2H)	108.9880	0.000	1	108.7621	0.021	13	108.8553	1.313	2806	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:S[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]S[6,6])(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)(S[6,6]N[3x6]OO)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]S[6,6])(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,2|O<1>,6|H<1>}	N[3x6](C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)(S[6,6]N[3x6]OO){1|Pd<4>,3|C<4>}	H(C[6,6]N[3x6]2H)	108.6430	0.153	4	108.7571	0.022	14	108.7571	0.022	14	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:S[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]S[6,6])(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)(S[6,6]N[3x6]OO)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]S[6,6])(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,2|O<1>,6|H<1>}	N[3x6](C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)(S[6,6]N[3x6]OO){1|Rh<8>,3|C<4>}	H(C[6,6]N[3x6]2H)	108.7638	0.110	8	108.7571	0.022	14	108.7571	0.022	14	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:S[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]S[6,6])(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)(S[6,6]N[3x6]OO)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]S[6,6])(N[3x6]C[6,6]2)(H)2{1|N<4>,1|P<4>,2|O<1>,6|H<1>}	N[3x6](C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)(S[6,6]N[3x6]OO){1|Rh<8>,1|H<1>,3|C<4>}	H(C[6,6]N[3x6]2H)	108.9590	0.004	2	108.7571	0.022	14	108.7571	0.022	14	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:P[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(H)2{1|C<4>,2|N<3>,7|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	108.4832	0.097	17	108.4906	0.038	25	108.4906	0.038	25	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:P[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){4|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	108.7922	0.047	4	108.4906	0.038	25	108.4906	0.038	25	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:P[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(H)2{1|P<3>,2|N<3>,7|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	108.3010	0.069	3	108.4906	0.038	25	108.4906	0.038	25	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:1:1:	4:4:4:	4:	N[3x6]-3:P[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	107.9770	0.000	1	108.4906	0.038	25	108.4906	0.038	25	108.8502	1.303	2852	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:3:1:	4:3:4:	4:	C[6,6a]-3:N[3x6]-3:N[6]-3:H-1:	C[3x6]-4:C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6a]C[3x6])(N[6]C[6,6a]H)(H)	N[3x6](C[3x6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)	H(C[6,6]C[6,6a]N[3x6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6a]C[3x6])(N[6]C[6,6a]H)(H){1|N<3>,2|H<1>,6|C<3>}	N[3x6](C[3x6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H){1|C<4>,2|H<1>,6|C<3>}	H(C[6,6]C[6,6a]N[3x6]N[6])	108.7255	0.023	2	108.7255	0.001	2	108.7255	0.001	2	108.7255	0.001	2	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:N[3x6]-3:N[3x6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6a]C[6a]N[6a])(N[3x6]C[6,6]2)2(H)	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH)	H(C[6,6]N[3x6]2C[6a])	C[6,6](C[6a]C[6a]N[6a])(N[3x6]C[6,6]2)2(H){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH){2|C<3>,2|N<2>,4|C<4>}	H(C[6,6]N[3x6]2C[6a])	106.3172	0.152	6	106.4340	0.064	8	106.4340	0.064	8	106.1848	0.127	32	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:N[3x6]-3:N[3x6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6a]C[6a]N[6a])(N[3x6]C[6,6]2)2(H)	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH)	H(C[6,6]N[3x6]2C[6a])	C[6,6](C[6a]C[6a]N[6a])(N[3x6]C[6,6]2)2(H){1|C<4>,1|N<4>,4|C<3>,7|H<1>}	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH){1|H<1>,2|C<3>,2|N<2>,4|C<4>}	H(C[6,6]N[3x6]2C[6a])	106.7845	0.078	2	106.4340	0.064	8	106.4340	0.064	8	106.1848	0.127	32	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:3:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(C[6a]C[6a]2)(H)	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH)	H(C[6,6]N[3x6]2C[6a])	C[6,6](N[3x6]C[6,6]2)2(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,3|C<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH){4|C<3>,4|C<4>}	H(C[6,6]N[3x6]2C[6a])	106.0055	0.161	11	106.0581	0.057	17	106.0492	0.060	23	106.1848	0.127	32	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:3:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(C[6a]C[6a]2)(H)	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH)	H(C[6,6]N[3x6]2C[6a])	C[6,6](N[3x6]C[6,6]2)2(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,4|C<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH){4|C<3>,4|C<4>}	H(C[6,6]N[3x6]2C[6a])	106.1547	0.338	6	106.0581	0.057	17	106.0492	0.060	23	106.1848	0.127	32	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:3:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(C[6a]C[6a]2)(H)	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2C[6a])	C[6,6](N[3x6]C[6,6]2)2(C[6a]C[6a]2)(H){1|N<3>,1|P<4>,4|C<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]P[3x6]HH){1|Pd<4>,3|C<4>,4|C<3>}	H(C[6,6]N[3x6]2C[6a])	106.0240	0.282	6	106.0240	0.079	6	106.0492	0.060	23	106.1848	0.127	32	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:3:1:	4:4:4:	4:	N[3x6]-3:P[3x6]-3:P-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(PC[6a]2)(H)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HP)	H(C[6,6]N[3x6]P[3x6]P)	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(PC[6a]2)(H){2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HP){3|C<4>}	H(C[6,6]N[3x6]P[3x6]P)	107.3080	0.000	1	107.3080	0.000	1	107.3080	0.000	1	106.1848	0.127	32	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:4:1:	4:4:4:	4:	N[3x6]-3:N[3x6]-3:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(CCHH)(H)	N[3x6](C[6,6]N[3x6]CH)(C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2C)	C[6,6](N[3x6]C[6,6]2)2(CCHH)(H){1|N<4>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]CH)(C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH){1|Ru<6>,4|C<4>}	H(C[6,6]N[3x6]2C)	104.8715	0.087	2	104.8715	0.008	2	104.8715	0.008	2	105.9334	2.586	9	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:4:1:	4:4:4:	4:	N[3x6]-3:P[3x6]-3:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(CC[5]HO)(H)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH)	H(C[6,6]N[3x6]P[3x6]C)	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(CC[5]HO)(H){2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH){3|C<4>}	H(C[6,6]N[3x6]P[3x6]C)	105.7570	0.000	1	105.7570	0.000	1	105.5646	2.461	5	105.9334	2.586	9	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:4:1:	4:4:4:	4:	N[3x6]-3:P[3x6]-3:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(CC[6a]2N)(H)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH)	H(C[6,6]N[3x6]P[3x6]C)	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(CC[6a]2N)(H){2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH){3|C<4>}	H(C[6,6]N[3x6]P[3x6]C)	102.8100	0.000	1	102.8100	0.000	1	105.5646	2.461	5	105.9334	2.586	9	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:4:1:	4:4:4:	4:	N[3x6]-3:P[3x6]-3:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(CC[6a]HN)(H)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH)	H(C[6,6]N[3x6]P[3x6]C)	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(CC[6a]HN)(H){2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH){3|C<4>}	H(C[6,6]N[3x6]P[3x6]C)	106.4620	0.141	2	106.4620	0.020	2	105.5646	2.461	5	105.9334	2.586	9	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:4:1:	4:4:4:	4:	N[3x6]-3:P[3x6]-3:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(CC[6a]HO)(H)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH)	H(C[6,6]N[3x6]P[3x6]C)	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(CC[6a]HO)(H){2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH){3|C<4>}	H(C[6,6]N[3x6]P[3x6]C)	106.3320	0.000	1	106.3320	0.000	1	105.5646	2.461	5	105.9334	2.586	9	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:4:1:	4:4:4:	4:	N[6,6]-3:N[3x6]-3:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[3x6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C[6])(N[3x6]C[3x6]2)(C[6]C[6]HH)(H)	N[3x6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)	H(C[6,6]N[3x6]N[6,6]C[6])	C[6,6](N[6,6]C[6,6]C[6])(N[3x6]C[3x6]2)(C[6]C[6]HH)(H){1|N<3>,5|C<4>,7|H<1>}	N[3x6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H){1|C<3>,5|H<1>,7|C<4>}	H(C[6,6]N[3x6]N[6,6]C[6])	108.0310	0.000	1	107.9175	0.026	2	107.9175	0.026	2	105.9334	2.586	9	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:3:4:1:	4:4:4:	4:	N[6,6]-3:N[3x6]-3:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[3x6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C[6])(N[3x6]C[3x6]2)(C[6]C[6]HH)(H)	N[3x6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)	H(C[6,6]N[3x6]N[6,6]C[6])	C[6,6](N[6,6]C[6,6]C[6])(N[3x6]C[3x6]2)(C[6]C[6]HH)(H){1|N<3>,5|C<4>,7|H<1>}	N[3x6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H){5|H<1>,8|C<4>}	H(C[6,6]N[3x6]N[6,6]C[6])	107.8040	0.000	1	107.9175	0.026	2	107.9175	0.026	2	105.9334	2.586	9	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:4:1:1:	3:4:4:	4:	N[3x6]-3:C[6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6,6a]C[6,6])(C[6,6]C[3x6]HH)(H)2	N[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6,6a]C[6,6])(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2{1|C<4>,2|C<3>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.1330	0.012	3	109.1330	0.000	3	109.1330	0.000	3	109.1330	0.000	3	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:4:1:1:	4:4:4:	4:	N[3x6]-3:C[3x6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[4x6]C[6])(C[3x6]C[6,6]2H)(H)2	N[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6]HH)	H(C[6,6]C[3x6]N[3x6]H)	C[6,6](N[3x6]C[4x6]C[6])(C[3x6]C[6,6]2H)(H)2{3|C<4>,7|H<1>}	N[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[3x6]N[3x6]H)	109.7645	0.006	2	109.7645	0.000	2	109.7645	0.000	2	109.2890	0.078	22	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:4:1:1:	4:4:4:	4:	N[3x6]-3:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[5,4x6]C[6,6])(C[6,6]N[3x6]HH)(H)2	N[3x6](C[5,4x6]C[5,6,6a]2C[5,4x6])(C[6,6]C[6,6]HH)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[5,4x6]C[6,6])(C[6,6]N[3x6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[3x6](C[5,4x6]C[5,6,6a]2C[5,4x6])(C[6,6]C[6,6]HH)2{1|N<4>,4|H<1>,6|C<3>}	H(C[6,6]C[6,6]N[3x6]H)	109.5071	0.077	8	109.5071	0.006	8	109.5071	0.006	8	109.2890	0.078	22	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:4:1:1:	4:4:4:	4:	N[3x6]-3:P[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:S[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]S[6,6])(P[3x6]C[6,6]2Pd)(H)2	N[3x6](C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)(S[6,6]N[3x6]OO)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](N[3x6]C[6,6]S[6,6])(P[3x6]C[6,6]2Pd)(H)2{2|N<3>,2|O<1>,6|H<1>}	N[3x6](C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)(S[6,6]N[3x6]OO){1|Pd<4>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	108.9652	0.064	4	108.9652	0.004	4	109.0644	0.014	12	109.2890	0.078	22	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:4:1:1:	4:4:4:	4:	N[3x6]-3:P[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:S[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]S[6,6])(P[3x6]C[6,6]2Rh)(H)2	N[3x6](C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)(S[6,6]N[3x6]OO)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](N[3x6]C[6,6]S[6,6])(P[3x6]C[6,6]2Rh)(H)2{1|N<3>,1|N<4>,2|O<1>,6|H<1>}	N[3x6](C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)(S[6,6]N[3x6]OO){1|Rh<8>,1|H<1>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	109.2400	0.000	1	109.1140	0.011	8	109.0644	0.014	12	109.2890	0.078	22	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:4:1:1:	4:4:4:	4:	N[3x6]-3:P[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:S[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]S[6,6])(P[3x6]C[6,6]2Rh)(H)2	N[3x6](C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)(S[6,6]N[3x6]OO)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](N[3x6]C[6,6]S[6,6])(P[3x6]C[6,6]2Rh)(H)2{2|N<3>,2|O<1>,6|H<1>}	N[3x6](C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)(S[6,6]N[3x6]OO){1|Rh<8>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	109.0960	0.099	7	109.1140	0.011	8	109.0644	0.014	12	109.2890	0.078	22	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:4:3:1:	4:4:3:	4:	N[3x6]-3:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:N[3x6]-3:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]N[3x6])(C[6]C[6]HH)(N[6]N[6]H)(H)	N[3x6](C[6,6]C[6]N[6]H)2(N[3x6]C[6,6]2)	H(C[6,6]N[3x6]C[6]N[6])	C[6,6](N[3x6]C[6,6]N[3x6])(C[6]C[6]HH)(N[6]N[6]H)(H){1|N<3>,3|C<4>,4|H<1>}	N[3x6](C[6,6]C[6]N[6]H)2(N[3x6]C[6,6]2){2|N<3>,3|C<4>,8|H<1>}	H(C[6,6]N[3x6]C[6]N[6])	108.2345	1.339	4	108.2345	1.793	4	108.2345	1.793	4	108.2345	1.793	4	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:N[3x6]-4:N[3x6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6a]C[6a]N[6a])(N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH)	H(C[6,6]N[3x6]2C[6a])	C[6,6](C[6a]C[6a]N[6a])(N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH){1|H<1>,2|C<3>,2|N<2>,4|C<4>}	H(C[6,6]N[3x6]2C[6a])	107.1270	0.042	2	107.1270	0.002	2	107.1270	0.002	2	107.1270	0.002	2	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:4:4:1:	4:4:4:	4:	N[3x6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	N[3x6](C[6,6]C[6]2H)3	H(C[6,6]N[3x6]C[6]2)	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,4|H<1>}	N[3x6](C[6,6]C[6]2H)3{11|H<1>,2|C<3>,2|C<4>}	H(C[6,6]N[3x6]C[6]2)	108.5590	0.000	1	108.5590	0.000	1	107.6623	2.132	9	107.6623	2.132	9	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:4:4:1:	4:4:4:	4:	N[3x6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H)	N[3x6](C[6,6]C[6]2H)3	H(C[6,6]N[3x6]C[6]2)	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H){1|O<1>,4|C<4>,4|H<1>}	N[3x6](C[6,6]C[6]2H)3{11|H<1>,2|C<3>,2|C<4>}	H(C[6,6]N[3x6]C[6]2)	108.8630	0.000	1	107.5503	2.308	8	107.6623	2.132	9	107.6623	2.132	9	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:4:4:1:	4:4:4:	4:	N[3x6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H)	N[3x6](C[6,6]C[6]2H)3	H(C[6,6]N[3x6]C[6]2)	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H){1|O<2>,4|H<1>,5|C<4>}	N[3x6](C[6,6]C[6]2H)3{12|H<1>,3|C<4>}	H(C[6,6]N[3x6]C[6]2)	107.5495	2.196	2	107.5503	2.308	8	107.6623	2.132	9	107.6623	2.132	9	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:4:4:1:	4:4:4:	4:	N[3x6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H)	N[3x6](C[6,6]C[6]2H)3	H(C[6,6]N[3x6]C[6]2)	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H){4|C<4>,6|H<1>}	N[3x6](C[6,6]C[6]2H)3{11|H<1>,2|C<3>,2|C<4>}	H(C[6,6]N[3x6]C[6]2)	108.3930	0.000	1	107.5503	2.308	8	107.6623	2.132	9	107.6623	2.132	9	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:4:4:1:	4:4:4:	4:	N[3x6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H)	N[3x6](C[6,6]C[6]2H)3	H(C[6,6]N[3x6]C[6]2)	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H){4|C<4>,6|H<1>}	N[3x6](C[6,6]C[6]2H)3{12|H<1>,3|C<4>}	H(C[6,6]N[3x6]C[6]2)	106.4725	0.045	2	107.5503	2.308	8	107.6623	2.132	9	107.6623	2.132	9	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	3:4:4:1:	4:4:4:	4:	N[3x6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H)	N[3x6](C[6,6]C[6]2H)3	H(C[6,6]N[3x6]C[6]2)	C[6,6](N[3x6]C[6,6]2)(C[6]C[6]HH)2(H){5|C<4>,5|H<1>}	N[3x6](C[6,6]C[6]2H)3{12|H<1>,3|C<4>}	H(C[6,6]N[3x6]C[6]2)	107.5510	2.564	2	107.5503	2.308	8	107.6623	2.132	9	107.6623	2.132	9	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	3:4:4:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]HH)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[5,6,6]C[6a])(C[6,6]C[6,6]HH)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[5,3x6]HH)(N[3x6]C[6,6]2)(H)2{2|H<1>,4|C<3>}	N[3x6](C[6,6]C[5,6,6]C[6a])(C[6,6]C[6,6]HH)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]N[3x6]H)	109.2955	0.018	2	109.2955	0.000	2	109.2955	0.000	2	109.2955	0.000	2	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|C<3>,2|C<4>,3|H<1>}	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C){1|C<4>,1|O<2>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.2681	0.079	8	109.2255	0.007	52	109.2255	0.007	52	109.2255	0.007	52	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C){1|C<4>,1|N<2>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.2780	0.096	4	109.2255	0.007	52	109.2255	0.007	52	109.2255	0.007	52	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C){1|C<4>,1|O<1>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.2118	0.079	40	109.2255	0.007	52	109.2255	0.007	52	109.2255	0.007	52	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	C[3x6]-4:N[3x6]-3:H-1:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(N[3x6]C[3x6]2)(H)2	N[3x6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[4x6]C[6]H)(C[6,6]C[3x6]HH)	H(C[6,6]C[3x6]N[3x6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(N[3x6]C[3x6]2)(H)2{4|H<1>,6|C<4>}	N[3x6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[4x6]C[6]H)(C[6,6]C[3x6]HH){5|H<1>,7|C<4>}	H(C[6,6]C[3x6]N[3x6]H)	109.3920	0.004	2	109.3920	0.000	2	109.3920	0.000	2	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	C[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[3x6]HH)3	H(C[6,6]C[3x6]N[3x6]H)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{2|C<4>,2|O<2>,6|H<1>}	N[3x6](C[6,6]C[3x6]HH)3{6|C<4>}	H(C[6,6]C[3x6]N[3x6]H)	108.6415	0.676	12	108.6415	0.457	12	109.1718	0.781	52	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	C[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH)	H(C[6,6]C[3x6]N[3x6]H)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,2|C<3>,6|H<1>}	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH){1|H<1>,2|C<3>,2|N<2>,4|C<4>}	H(C[6,6]C[3x6]N[3x6]H)	109.4505	0.038	4	109.4254	0.006	24	109.1718	0.781	52	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	C[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH)	H(C[6,6]C[3x6]N[3x6]H)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{2|C<3>,2|N<3>,6|H<1>}	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH){2|C<3>,2|N<2>,4|C<4>}	H(C[6,6]C[3x6]N[3x6]H)	109.3918	0.037	5	109.4254	0.006	24	109.1718	0.781	52	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	C[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH)	H(C[6,6]C[3x6]N[3x6]H)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{2|C<3>,2|N<3>,6|H<1>}	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH){4|C<3>,4|C<4>}	H(C[6,6]C[3x6]N[3x6]H)	109.4299	0.089	15	109.4254	0.006	24	109.1718	0.781	52	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	C[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[3x6]C[6a]H)2(C[6,6]C[3x6]HH)	H(C[6,6]C[3x6]N[3x6]H)	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{2|C<3>,2|C<4>,6|H<1>}	N[3x6](C[6,6]C[3x6]C[6a]H)2(C[6,6]C[3x6]HH){2|C<4>,3|H<1>,5|C<3>}	H(C[6,6]C[3x6]N[3x6]H)	108.8960	0.873	2	108.8960	0.761	2	109.1718	0.781	52	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	C[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[3x6]HH)(C[6,6]N[3x6]HH)2	H(C[6,6]C[3x6]N[3x6]H)	C[6,6](C[3x6]C[6,6]2N)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]C[3x6]HH)(C[6,6]N[3x6]HH)2{1|N<3>,3|C<4>}	H(C[6,6]C[3x6]N[3x6]H)	109.7235	0.866	8	109.7235	0.749	8	109.1718	0.781	52	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	C[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[3x6]HH)3	H(C[6,6]C[3x6]N[3x6]H)	C[6,6](C[3x6]C[6,6]2N)(N[3x6]C[6,6]2)(H)2{2|C<4>,8|H<1>}	N[3x6](C[6,6]C[3x6]HH)3{3|C<4>,3|N<3>}	H(C[6,6]C[3x6]N[3x6]H)	108.5745	1.951	6	108.5745	3.807	6	109.1718	0.781	52	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	C[4x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]N[4x6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[4x6]HH)3	H(C[6,6]C[4x6]N[3x6]H)	C[6,6](C[4x6]N[4x6]2C)(N[3x6]C[6,6]2)(H)2{2|C<4>,2|O<2>,4|H<1>}	N[3x6](C[6,6]C[4x6]HH)3{1|N<4>,2|N<3>,3|C<4>}	H(C[6,6]C[4x6]N[3x6]H)	109.2650	0.024	2	109.4018	0.083	10	109.4018	0.083	10	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	C[4x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]N[4x6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[4x6]HH)3	H(C[6,6]C[4x6]N[3x6]H)	C[6,6](C[4x6]N[4x6]2C)(N[3x6]C[6,6]2)(H)2{2|C<4>,2|O<2>,4|H<1>}	N[3x6](C[6,6]C[4x6]HH)3{3|C<4>,3|N<3>}	H(C[6,6]C[4x6]N[3x6]H)	109.7242	0.107	4	109.4018	0.083	10	109.4018	0.083	10	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	C[4x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]N[4x6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[4x6]HH)3	H(C[6,6]C[4x6]N[3x6]H)	C[6,6](C[4x6]N[4x6]2C)(N[3x6]C[6,6]2)(H)2{2|C<4>,2|O<2>,5|H<1>}	N[3x6](C[6,6]C[4x6]HH)3{1|N<4>,2|N<3>,3|C<4>}	H(C[6,6]C[4x6]N[3x6]H)	109.1478	0.036	4	109.4018	0.083	10	109.4018	0.083	10	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	C[5,3x6]-4:N[3x6]-3:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[3x6]C[4x6]C[6])(H)2	N[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[5,3x6]HH)(C[6]C[6]HH)	H(C[6,6]C[5,3x6]N[3x6]H)	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[3x6]C[4x6]C[6])(H)2{1|C<3>,5|C<4>,6|H<1>}	N[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[5,3x6]HH)(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[6,6]C[5,3x6]N[3x6]H)	109.5155	0.009	4	109.5155	0.000	4	109.5155	0.000	4	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2)(H)2{1|C<3>,2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2{1|C<3>,1|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.0040	0.013	2	108.9883	0.954	53	109.4496	0.652	1857	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2)(H)2{3|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2{1|C<3>,1|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	108.9486	1.067	44	108.9883	0.954	53	109.4496	0.652	1857	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2)(H)2{3|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2{2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.2334	0.183	7	108.9883	0.954	53	109.4496	0.652	1857	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|C<3>,2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2{1|C<3>,1|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.4590	0.013	2	109.1004	0.751	54	109.4496	0.652	1857	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{3|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2{1|C<3>,1|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.0292	0.938	44	109.1004	0.751	54	109.4496	0.652	1857	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{3|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2{2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.4023	0.325	8	109.1004	0.751	54	109.4496	0.652	1857	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]HH)3	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|C<3>,1|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)3{1|C<4>,1|N<2>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.0987	0.063	7	109.3846	0.162	54	109.4496	0.652	1857	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]HH)3	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)3{1|C<4>,1|O<2>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.1812	0.052	5	109.3846	0.162	54	109.4496	0.652	1857	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]HH)3	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)3{1|C<4>,6|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.4565	0.429	42	109.3846	0.162	54	109.4496	0.652	1857	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]HH)3	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2)(H)2{2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)3{1|C<4>,1|O<2>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.0727	0.042	3	109.0727	0.002	3	109.4496	0.652	1857	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]HH)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]HH)2	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[5,3x6]HH)(N[3x6]C[6,6]2)(H)2{2|C<4>,2|H<1>,3|C<3>}	N[3x6](C[6,6]C[5,6,6]CC)(C[6,6]C[6,6]HH)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.0690	0.017	2	109.0690	0.000	2	109.4496	0.652	1857	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]HH)3	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|C<3>,1|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)3{1|N<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	105.1610	3.105	4	109.4784	0.646	1691	109.4496	0.652	1857	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]HH)3	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|Cu<5>,2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3{1|N<4>,6|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.4330	0.199	15	109.4784	0.646	1691	109.4496	0.652	1857	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]HH)3	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|Li<4>,2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3{1|N<4>,6|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.4590	0.111	9	109.4784	0.646	1691	109.4496	0.652	1857	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]HH)3	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|O<4>,2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3{1|N<4>,6|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.2544	0.030	5	109.4784	0.646	1691	109.4496	0.652	1857	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]HH)3	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2{2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3{1|N<3>,6|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.6056	0.753	1025	109.4784	0.646	1691	109.4496	0.652	1857	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]HH)3	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2{2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)3{1|N<4>,6|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.2399	0.986	361	109.4784	0.646	1691	109.4496	0.652	1857	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]HH)3	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2{3|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3{1|N<4>,6|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	109.3859	0.250	272	109.4784	0.646	1691	109.4496	0.652	1857	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Al)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)3	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2Al)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3{1|Al<4>,3|C<4>}	H(C[6,6]N[3x6]2H)	109.2210	0.066	5	109.2210	0.004	5	109.5189	0.411	382	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2B)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)3	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2B)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3{1|B<4>,3|C<4>}	H(C[6,6]N[3x6]2H)	109.3097	0.069	10	109.3097	0.005	10	109.5189	0.411	382	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]CH)(C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|C<4>,1|N<3>,1|P<4>,7|H<1>}	N[3x6](C[6,6]N[3x6]CH)(C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH){1|Ru<6>,4|C<4>}	H(C[6,6]N[3x6]2H)	108.9670	0.398	4	108.9670	0.158	4	109.5189	0.411	382	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){4|C<4>}	H(C[6,6]N[3x6]2H)	109.0715	0.060	4	109.2173	0.573	52	109.5189	0.411	382	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Cu<4>,4|C<4>}	H(C[6,6]N[3x6]2H)	109.2139	0.146	16	109.2173	0.573	52	109.5189	0.411	382	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|O<1>,4|C<4>}	H(C[6,6]N[3x6]2H)	107.6412	0.791	4	109.2173	0.573	52	109.5189	0.411	382	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<6>,4|C<4>}	H(C[6,6]N[3x6]2H)	109.4900	0.794	25	109.2173	0.573	52	109.5189	0.411	382	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<8>,4|C<4>}	H(C[6,6]N[3x6]2H)	109.2580	0.023	3	109.2173	0.573	52	109.5189	0.411	382	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)3	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3{4|C<4>}	H(C[6,6]N[3x6]2H)	109.5557	0.187	27	109.5755	0.033	31	109.5189	0.411	382	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)3	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{2|N<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3{2|H<1>,4|C<4>}	H(C[6,6]N[3x6]2H)	109.7092	0.038	4	109.5755	0.033	31	109.5189	0.411	382	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Cd)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)3	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2Cd)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3{1|Cd<6>,3|C<4>}	H(C[6,6]N[3x6]2H)	109.2094	0.061	10	109.2094	0.004	10	109.5189	0.411	382	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Co)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2Co)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Co<6>,1|O<1>,3|C<4>}	H(C[6,6]N[3x6]2H)	108.6535	0.184	4	108.6535	0.034	4	109.5189	0.411	382	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Co)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)3	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2Co)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3{1|Co<6>,3|C<4>}	H(C[6,6]N[3x6]2H)	109.1765	0.121	6	109.1765	0.015	6	109.5189	0.411	382	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Cu)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)3	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2Cu)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3{1|Cu<4>,3|C<4>}	H(C[6,6]N[3x6]2H)	109.1095	0.147	6	109.1095	0.022	6	109.5189	0.411	382	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2D)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)3	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2D)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3{1|D<1>,3|C<4>}	H(C[6,6]N[3x6]2H)	109.6897	0.076	11	109.6897	0.006	11	109.5189	0.411	382	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Fe)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)3	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2Fe)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3{2|Fe<8>,3|C<4>}	H(C[6,6]N[3x6]2H)	109.2136	0.084	7	109.2136	0.007	7	109.5189	0.411	382	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Pd<4>,1|H<1>,3|C<4>}	H(C[6,6]N[3x6]2H)	109.3478	0.067	4	109.0938	0.472	20	109.5189	0.411	382	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Pt<4>,1|H<1>,3|C<4>}	H(C[6,6]N[3x6]2H)	109.1285	1.494	4	109.0938	0.472	20	109.5189	0.411	382	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Re<6>,1|H<1>,3|C<4>}	H(C[6,6]N[3x6]2H)	108.7765	0.320	8	109.0938	0.472	20	109.5189	0.411	382	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<8>,1|H<1>,3|C<4>}	H(C[6,6]N[3x6]2H)	109.4398	0.014	4	109.0938	0.472	20	109.5189	0.411	382	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)3	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3{1|H<1>,3|C<4>}	H(C[6,6]N[3x6]2H)	109.9224	0.748	123	109.8844	0.535	133	109.5189	0.411	382	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)3	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{2|N<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3{2|H<1>,4|C<4>}	H(C[6,6]N[3x6]2H)	109.4169	0.061	10	109.8844	0.535	133	109.5189	0.411	382	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Mn)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)3	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2Mn)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3{1|Mn<6>,3|C<4>}	H(C[6,6]N[3x6]2H)	109.1131	0.090	16	109.1131	0.008	16	109.5189	0.411	382	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Ni)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)3	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2Ni)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3{1|Ni<5>,3|C<4>}	H(C[6,6]N[3x6]2H)	109.2134	0.042	5	109.2054	0.007	11	109.5189	0.411	382	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Ni)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)3	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2Ni)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3{1|Ni<6>,3|C<4>}	H(C[6,6]N[3x6]2H)	109.1987	0.110	6	109.2054	0.007	11	109.5189	0.411	382	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)3	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3{1|O<1>,3|C<4>}	H(C[6,6]N[3x6]2H)	109.7309	0.055	39	109.7309	0.003	39	109.5189	0.411	382	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Pd)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2Pd)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Pd<4>,1|N<2>,3|C<4>}	H(C[6,6]N[3x6]2H)	108.8630	0.200	7	108.8630	0.040	7	109.5189	0.411	382	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Zn)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)3	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2Zn)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)3{2|Zn<4>,3|C<4>}	H(C[6,6]N[3x6]2H)	109.3110	0.339	8	109.3110	0.115	8	109.5189	0.411	382	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]S[6,6]H)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]S[6,6]H)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,2|O<1>,6|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Rh<8>,1|H<1>,1|S<4>,2|C<4>}	H(C[6,6]N[3x6]2H)	108.9495	0.008	2	108.9495	0.000	2	109.5189	0.411	382	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Co)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Co)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Co<5>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	109.5000	0.152	5	109.5000	0.023	5	109.2691	0.827	667	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Cu)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Cu)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Cu<4>,4|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	109.1819	0.188	16	109.1819	0.036	16	109.2691	0.827	667	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Fe)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Fe)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Fe<5>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	109.1228	0.763	14	109.0817	0.189	45	109.2691	0.827	667	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Fe)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Fe)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Fe<6>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	109.2152	0.083	10	109.0817	0.189	45	109.2691	0.827	667	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Fe)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Fe)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Fe<8>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	108.9908	0.120	21	109.0817	0.189	45	109.2691	0.827	667	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Ir)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Ir)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ir<5>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	109.0580	0.134	18	109.0580	0.018	18	109.2691	0.827	667	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Mn)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Mn)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Mn<6>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	109.1823	0.188	6	109.1823	0.035	6	109.2691	0.827	667	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Mo)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Mo)(N[3x6]C[6,6]2)(H)2{1|P<4>,2|N<3>,7|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Mo<6>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	110.8685	2.827	4	110.0301	4.229	8	109.2691	0.827	667	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Mo)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Mo)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Mo<9>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	109.1917	0.021	4	110.0301	4.229	8	109.2691	0.827	667	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2N)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2N)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Pd<4>,1|N<2>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	110.0944	0.126	8	110.0348	0.018	14	109.2691	0.827	667	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2N)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2N)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|N<3>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	109.9553	0.111	6	110.0348	0.018	14	109.2691	0.827	667	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Ni)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Ni)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ni<4>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	108.9619	0.229	11	108.9619	0.053	11	109.2691	0.827	667	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2{1|C<3>,2|N<3>,7|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|O<1>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	109.5360	0.063	4	110.1651	5.867	20	109.2691	0.827	667	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2{1|C<4>,2|N<3>,7|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|O<1>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	109.4066	0.236	8	110.1651	5.867	20	109.2691	0.827	667	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Co<6>,1|O<1>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	109.9055	0.148	4	110.1651	5.867	20	109.2691	0.827	667	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|O<1>,4|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	112.5708	5.209	4	110.1651	5.867	20	109.2691	0.827	667	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Os)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Os)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Os<9>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	109.3016	0.074	15	109.3016	0.005	15	109.2691	0.827	667	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Pd)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Pd)(N[3x6]C[6,6]2)(H)2{2|C<3>,2|N<3>,6|H<1>}	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]P[3x6]HH){1|Pd<4>,3|C<4>,4|C<3>}	H(C[6,6]N[3x6]P[3x6]H)	109.3865	0.167	6	109.3865	0.028	6	109.2691	0.827	667	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Pd)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Pd)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Pd<4>,1|H<1>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	109.4112	0.075	4	109.3226	3.186	98	109.2691	0.827	667	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Pd)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Pd)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Pd<4>,1|C<3>,2|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	108.8695	2.613	2	109.3226	3.186	98	109.2691	0.827	667	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Pd)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Pd)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Pd<4>,1|S<4>,2|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	109.3030	0.095	2	109.3226	3.186	98	109.2691	0.827	667	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Pd)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Pd)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Pd<4>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	109.3292	1.841	90	109.3226	3.186	98	109.2691	0.827	667	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Pt)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Pt)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Pt<4>,1|H<1>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	109.6130	1.698	4	109.2887	0.173	78	109.2691	0.827	667	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Pt)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Pt)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Pt<4>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	109.2712	0.241	74	109.2887	0.173	78	109.2691	0.827	667	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Re)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Re)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Re<6>,1|H<1>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	109.3211	0.442	8	109.2677	0.113	55	109.2691	0.827	667	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Re)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Re)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Re<5>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	109.3152	0.154	6	109.2677	0.113	55	109.2691	0.827	667	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Re)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Re)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Re<6>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	109.2504	0.338	41	109.2677	0.113	55	109.2691	0.827	667	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Rh)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Rh)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Rh<8>,1|H<1>,1|S<4>,2|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	109.3845	0.039	2	109.3186	0.014	41	109.2691	0.827	667	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Rh)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Rh)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Rh<6>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	109.2777	0.106	18	109.3186	0.014	41	109.2691	0.827	667	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Rh)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Rh)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Rh<8>,1|S<4>,2|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	109.3777	0.029	3	109.3186	0.014	41	109.2691	0.827	667	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Rh)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Rh)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Rh<8>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	109.3423	0.138	18	109.3186	0.014	41	109.2691	0.827	667	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]CH)(C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(H)2{1|C<4>,1|N<3>,1|N<4>,7|H<1>}	N[3x6](C[6,6]N[3x6]CH)(C[6,6]N[3x6]HH)(C[6,6]P[3x6]HH){1|Ru<6>,4|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	109.1125	0.045	4	109.1125	0.002	4	109.2691	0.827	667	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(H)2{1|C<4>,2|N<3>,7|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<9>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	109.0568	0.047	11	109.1559	0.156	209	109.2691	0.827	667	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<6>,4|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	108.8622	0.780	23	109.1559	0.156	209	109.2691	0.827	667	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<8>,1|H<1>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	109.2152	0.168	4	109.1559	0.156	209	109.2691	0.827	667	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<8>,4|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	109.1852	0.163	4	109.1559	0.156	209	109.2691	0.827	667	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<10>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	109.3286	0.150	5	109.1559	0.156	209	109.2691	0.827	667	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<6>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	109.1839	0.541	27	109.1559	0.156	209	109.2691	0.827	667	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<8>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	108.9103	0.204	44	109.1559	0.156	209	109.2691	0.827	667	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|Ru<9>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	109.3391	0.121	91	109.1559	0.156	209	109.2691	0.827	667	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2W)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2W)(N[3x6]C[6,6]2)(H)2{1|P<4>,2|N<3>,7|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|W<6>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	109.3037	0.216	4	109.0482	0.074	18	109.2691	0.827	667	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2W)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2W)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|W<6>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	109.0065	0.223	8	109.0482	0.074	18	109.2691	0.827	667	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:1:1:	4:4:4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2W)(N[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2W)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HH){1|W<9>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]H)	108.9335	0.287	6	109.0482	0.074	18	109.2691	0.827	667	109.4130	0.667	2974	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:3:1:	4:4:4:	4:	C[3x6]-4:N[3x6]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6]H)(N[3x6]C[6,6]2)(C[6a]C[6a]2)(H)	N[3x6](C[6,6]C[3x6]C[6a]H)2(C[6,6]O[6,6]HH)	H(C[6,6]C[3x6]N[3x6]C[6a])	C[6,6](C[3x6]C[4x6]C[6]H)(N[3x6]C[6,6]2)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,7|H<1>}	N[3x6](C[6,6]C[3x6]C[6a]H)2(C[6,6]O[6,6]HH){2|H<1>,3|C<4>,4|C<3>}	H(C[6,6]C[3x6]N[3x6]C[6a])	106.6275	0.037	2	106.6275	0.001	2	106.4230	0.252	12	106.4889	0.264	14	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:3:1:	4:4:4:	4:	C[3x6]-4:N[3x6]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(C[6a]C[6a]2)(H)	N[3x6](C[6,6]C[3x6]C[6a]H)2(C[6,6]C[3x6]HH)	H(C[6,6]C[3x6]N[3x6]C[6a])	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|C<3>,7|H<1>}	N[3x6](C[6,6]C[3x6]C[6a]H)2(C[6,6]C[3x6]HH){2|C<4>,3|H<1>,5|C<3>}	H(C[6,6]C[3x6]N[3x6]C[6a])	106.5180	0.246	2	106.5180	0.061	2	106.4230	0.252	12	106.4889	0.264	14	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:3:1:	4:4:4:	4:	C[3x6]-4:N[3x6]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(C[6a]C[6a]2)(H)	N[3x6](C[6,6]C[3x6]C[6a]H)2(C[6,6]N[3x6]HH)	H(C[6,6]C[3x6]N[3x6]C[6a])	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,6|H<1>}	N[3x6](C[6,6]C[3x6]C[6a]H)2(C[6,6]N[3x6]HH){2|C<4>,2|H<1>,5|C<3>}	H(C[6,6]C[3x6]N[3x6]C[6a])	106.3481	0.606	8	106.3481	0.367	8	106.4230	0.252	12	106.4889	0.264	14	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:3:1:	4:4:4:	4:	C[6,6]-4:N[3x6]-3:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]O)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2	H(C[6,6]C[6,6]N[3x6]C)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]O)(H){2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2{1|C<3>,1|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]C)	107.2630	0.000	1	107.2630	0.000	1	107.2630	0.000	1	106.4889	0.264	14	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:3:1:	4:4:4:	4:	P[3x6]-4:N[3x6]-3:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(COO)(H)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH)	H(C[6,6]N[3x6]P[3x6]C)	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(COO)(H){2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH){1|O<1>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]C)	106.5050	0.000	1	106.5050	0.000	1	106.5050	0.000	1	106.4889	0.264	14	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:4:1:	4:4:4:	4:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]CH)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2	H(C[6,6]C[6,6]N[3x6]C)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]CH)(H){2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2{1|C<3>,1|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]C)	107.2040	0.396	2	107.2040	0.157	2	106.9614	0.531	27	106.8078	0.723	34	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:4:1:	4:4:4:	4:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HN)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2	H(C[6,6]C[6,6]N[3x6]C)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HN)(H){2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2{1|C<3>,1|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]C)	107.3644	0.305	7	107.3644	0.093	7	106.9614	0.531	27	106.8078	0.723	34	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:4:1:	4:4:4:	4:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2	H(C[6,6]C[6,6]N[3x6]C)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H){2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2{1|C<3>,1|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]C)	106.6646	0.838	14	106.7051	0.601	17	106.9614	0.531	27	106.8078	0.723	34	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:4:1:	4:4:4:	4:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2	H(C[6,6]C[6,6]N[3x6]C)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]HO)(H){2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2{2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]C)	106.8943	0.422	3	106.7051	0.601	17	106.9614	0.531	27	106.8078	0.723	34	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:4:1:	4:4:4:	4:	C[6,6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]N[5]H)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2	H(C[6,6]C[6,6]N[3x6]C)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(CC[6a]N[5]H)(H){2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2{2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]C)	108.0110	0.000	1	108.0110	0.000	1	106.9614	0.531	27	106.8078	0.723	34	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:4:1:	4:4:4:	4:	P[3x6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(CC[6a]2O)(H)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH)	H(C[6,6]N[3x6]P[3x6]C)	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(CC[6a]2O)(H){2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH){1|O<1>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]C)	106.6030	0.000	1	106.6030	0.000	1	106.4552	0.013	5	106.8078	0.723	34	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:4:1:	4:4:4:	4:	P[3x6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(CC[6a]HO)(H)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH)	H(C[6,6]N[3x6]P[3x6]C)	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(CC[6a]HO)(H){2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH){1|O<1>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]C)	106.4730	0.000	1	106.4730	0.000	1	106.4552	0.013	5	106.8078	0.723	34	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:4:1:	4:4:4:	4:	P[3x6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(CC[6a]2O)(H)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH)	H(C[6,6]N[3x6]P[3x6]C)	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(CC[6a]2O)(H){2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH){1|Ru<9>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]C)	106.3920	0.136	2	106.3920	0.018	2	106.4552	0.013	5	106.8078	0.723	34	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:4:1:	4:4:4:	4:	P[3x6]-4:N[3x6]-3:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(CC[6a]HO)(H)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH)	H(C[6,6]N[3x6]P[3x6]C)	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(CC[6a]HO)(H){2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]CH){1|Ru<9>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]C)	106.4160	0.000	1	106.4160	0.000	1	106.4552	0.013	5	106.8078	0.723	34	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:4:1:	4:4:4:	4:	P[3x6]-4:N[3x6]-3:P-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Mo)(N[3x6]C[6,6]2)(PC[6a]2Mo)(H)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HP)	H(C[6,6]N[3x6]P[3x6]P)	C[6,6](P[3x6]C[6,6]2Mo)(N[3x6]C[6,6]2)(PC[6a]2Mo)(H){2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HP){1|Mo<6>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]P)	107.3350	0.000	1	107.3350	0.000	1	105.6165	5.906	2	106.8078	0.723	34	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[3x6]	H	4:3:4:1:	4:4:4:	4:	P[3x6]-4:N[3x6]-3:P-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2W)(N[3x6]C[6,6]2)(PC[6a]2W)(H)	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HP)	H(C[6,6]N[3x6]P[3x6]P)	C[6,6](P[3x6]C[6,6]2W)(N[3x6]C[6,6]2)(PC[6a]2W)(H){2|N<3>,8|H<1>}	N[3x6](C[6,6]N[3x6]HH)2(C[6,6]P[3x6]HP){1|W<6>,3|C<4>}	H(C[6,6]N[3x6]P[3x6]P)	103.8980	0.000	1	103.8980	0.000	1	105.6165	5.906	2	106.8078	0.723	34	109.0954	1.149	6017	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[4x6]	H	3:3:1:1:	4:4:4:	4:	C[6,6]-3:N[4x6]-3:H-1:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(H)2	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)	H(C[6,6]C[6,6]N[4x6]H)	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(H)2{1|C<3>,3|C<4>,3|H<1>}	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[4x6]H)	109.5450	0.013	2	109.5140	0.004	6	109.5140	0.004	6	109.5140	0.004	6	108.2145	2.039	12	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[4x6]	H	3:3:1:1:	4:4:4:	4:	C[6,6]-3:N[4x6]-3:H-1:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(H)2	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)	H(C[6,6]C[6,6]N[4x6]H)	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]N[4x6]H)	109.5490	0.076	2	109.5140	0.004	6	109.5140	0.004	6	109.5140	0.004	6	108.2145	2.039	12	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[4x6]	H	3:3:1:1:	4:4:4:	4:	C[6,6]-3:N[4x6]-3:H-1:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(H)2	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)	H(C[6,6]C[6,6]N[4x6]H)	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[4x6]H)	109.4480	0.025	2	109.5140	0.004	6	109.5140	0.004	6	109.5140	0.004	6	108.2145	2.039	12	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[4x6]	H	3:3:4:1:	4:4:4:	4:	C[6,6]-3:N[4x6]-3:C-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(CH3)(H)	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)	H(C[6,6]C[6,6]N[4x6]C)	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6]N[4x6]C)	106.9630	0.000	1	107.0610	0.030	4	107.0610	0.030	4	107.0610	0.030	4	108.2145	2.039	12	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[4x6]	H	3:3:4:1:	4:4:4:	4:	C[6,6]-3:N[4x6]-3:C-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(CH3)(H)	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)	H(C[6,6]C[6,6]N[4x6]C)	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(CH3)(H){2|C<3>,2|C<4>,3|H<1>}	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]N[4x6]C)	107.0937	0.196	3	107.0610	0.030	4	107.0610	0.030	4	107.0610	0.030	4	108.2145	2.039	12	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[4x6]	H	3:4:4:1:	4:4:4:	4:	N[4x6]-3:C[6,6]-4:C-4:H-1:	C[5,3x6]-4:C[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](N[4x6]C[5,3x6]C[3x6])(C[6,6]C[3x6]CH)(CH3)(H)	N[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[3x6]C[5,6]C[6,6]H)(C[6,6]C[6,6]CH)	H(C[6,6]C[6,6]N[4x6]C)	C[6,6](N[4x6]C[5,3x6]C[3x6])(C[6,6]C[3x6]CH)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	N[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[3x6]C[5,6]C[6,6]H)(C[6,6]C[6,6]CH){1|N<2>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6]N[4x6]C)	107.5720	0.000	1	107.5720	0.000	1	107.5720	0.000	1	107.5720	0.000	1	108.2145	2.039	12	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[4x6]	H	4:3:4:1:	4:4:4:	4:	C[6,6]-4:N[4x6]-3:C-4:H-1:	C[3x6]-4:C[3x6]-4:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]ClH)(N[4x6]C[3x6]2)(CH3)(H)	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH)	H(C[6,6]C[6,6]N[4x6]C)	C[6,6](C[6,6]C[3x6]ClH)(N[4x6]C[3x6]2)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	N[4x6](C[3x6]C[5a,6]C[6,6]H)(C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]CH){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,6|H<1>}	H(C[6,6]C[6,6]N[4x6]C)	105.6740	0.000	1	105.6740	0.000	1	105.6740	0.000	1	105.6740	0.000	1	108.2145	2.039	12	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:2:4:1:	4:4:4:	4:	N[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]CH)	H(C[6,6]N[6,6]C[6]O[6])	C[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]CH){1|C<4>,4|C<3>,4|H<1>}	H(C[6,6]N[6,6]C[6]O[6])	108.2430	0.304	2	108.2430	0.092	2	108.3564	0.133	5	108.3564	0.133	5	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:2:4:1:	4:4:4:	4:	N[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)	H(C[6,6]N[6,6]C[6]O[6])	C[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	H(C[6,6]N[6,6]C[6]O[6])	108.2710	0.492	2	108.2710	0.242	2	108.3564	0.133	5	108.3564	0.133	5	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:2:4:1:	4:4:4:	4:	N[6,6]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(C[6]O[6]HH)(H)	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)	H(C[6,6]N[6,6]C[6]O[6])	C[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(C[6]O[6]HH)(H){1|C<4>,3|C<3>,3|H<1>}	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH){1|O<2>,4|C<3>,4|H<1>}	H(C[6,6]N[6,6]C[6]O[6])	108.7540	0.000	1	108.7540	0.000	1	108.3564	0.133	5	108.3564	0.133	5	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:1:1:	3:4:4:	4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[5a,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[5a,6]C[6])2(H)2	N[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]N[6,6]HH)(C[6]C[5a,6]HH)	H(C[6,6]N[6,6]2H)	C[6,6](N[6,6]C[5a,6]C[6])2(H)2{4|C<3>,4|H<1>}	N[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]N[6,6]HH)(C[6]C[5a,6]HH){1|C<4>,1|H<1>,2|C<3>,2|S<2>}	H(C[6,6]N[6,6]2H)	108.6410	0.020	2	108.6410	0.000	2	108.8522	0.038	5	109.1395	0.668	108	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:1:1:	3:4:4:	4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[5a,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[5a,6]C[6])2(H)2	N[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]N[6,6]HH)(C[6]C[5a,6]HH)	H(C[6,6]N[6,6]2H)	C[6,6](N[6,6]C[5a,6]C[6])2(H)2{2|C<3>,2|N<3>,4|H<1>}	N[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]N[6,6]HH)(C[6]C[5a,6]HH){1|C<4>,1|N<2>,4|C<3>}	H(C[6,6]N[6,6]2H)	108.9930	0.041	3	108.9930	0.002	3	108.8522	0.038	5	109.1395	0.668	108	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:1:1:	3:4:4:	4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]CH)	H(C[6,6]N[6,6]2H)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{2|C<4>,2|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]CH){1|C<4>,1|H<1>,4|C<3>}	H(C[6,6]N[6,6]2H)	109.1805	0.074	4	109.1805	0.005	4	109.1534	0.695	103	109.1395	0.668	108	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:1:1:	3:4:4:	4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	H(C[6,6]N[6,6]2H)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{1|N<3>,3|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){2|C<4>,4|C<3>}	H(C[6,6]N[6,6]2H)	109.2470	0.018	2	109.1451	0.786	91	109.1534	0.695	103	109.1395	0.668	108	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:1:1:	3:4:4:	4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	H(C[6,6]N[6,6]2H)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|Br<1>,1|C<4>,4|C<3>}	H(C[6,6]N[6,6]2H)	109.2416	0.055	5	109.1451	0.786	91	109.1534	0.695	103	109.1395	0.668	108	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:1:1:	3:4:4:	4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	H(C[6,6]N[6,6]2H)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|F<1>,4|C<3>}	H(C[6,6]N[6,6]2H)	108.8160	5.135	2	109.1451	0.786	91	109.1534	0.695	103	109.1395	0.668	108	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:1:1:	3:4:4:	4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	H(C[6,6]N[6,6]2H)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	H(C[6,6]N[6,6]2H)	109.1079	0.795	69	109.1451	0.786	91	109.1534	0.695	103	109.1395	0.668	108	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:1:1:	3:4:4:	4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	H(C[6,6]N[6,6]2H)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|N<3>,4|C<3>}	H(C[6,6]N[6,6]2H)	109.4860	0.113	6	109.1451	0.786	91	109.1534	0.695	103	109.1395	0.668	108	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:1:1:	3:4:4:	4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	H(C[6,6]N[6,6]2H)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|S<2>,4|C<3>}	H(C[6,6]N[6,6]2H)	109.0565	0.029	4	109.1451	0.786	91	109.1534	0.695	103	109.1395	0.668	108	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:1:1:	3:4:4:	4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	H(C[6,6]N[6,6]2H)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){2|C<4>,4|C<3>}	H(C[6,6]N[6,6]2H)	109.4273	0.032	3	109.1451	0.786	91	109.1534	0.695	103	109.1395	0.668	108	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:1:1:	3:4:4:	4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HN)	H(C[6,6]N[6,6]2H)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{1|N<3>,3|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HN){2|C<4>,4|C<3>}	H(C[6,6]N[6,6]2H)	109.1940	0.000	1	109.1940	0.000	1	109.1534	0.695	103	109.1395	0.668	108	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:1:1:	3:4:4:	4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	N[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	H(C[6,6]N[6,6]2H)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	N[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,5|C<3>}	H(C[6,6]N[6,6]2H)	109.2410	0.037	7	109.2410	0.001	7	109.1534	0.695	103	109.1395	0.668	108	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:1:1:	4:4:4:	4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)2(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)(C[6]P[6]HH)	H(C[6,6]N[6,6]2H)	C[6,6](N[6,6]C[6]2)2(H)2{1|N<4>,1|P<4>,8|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)(C[6]P[6]HH){1|Rh<4>,4|C<4>}	H(C[6,6]N[6,6]2H)	109.0413	0.030	3	109.0413	0.001	3	109.1538	0.761	34	108.8716	1.406	40	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:1:1:	4:4:4:	4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)2(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2	H(C[6,6]N[6,6]2H)	C[6,6](N[6,6]C[6]2)2(H)2{2|N<3>,8|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2{2|C<3>,2|C<4>}	H(C[6,6]N[6,6]2H)	109.4177	0.044	4	109.4051	0.007	14	109.1538	0.761	34	108.8716	1.406	40	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:1:1:	4:4:4:	4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)2(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2	H(C[6,6]N[6,6]2H)	C[6,6](N[6,6]C[6]2)2(H)2{2|N<3>,8|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2{4|C<4>}	H(C[6,6]N[6,6]2H)	109.4000	0.094	10	109.4051	0.007	14	109.1538	0.761	34	108.8716	1.406	40	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:1:1:	4:4:4:	4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)2(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]P[6]HH)2	H(C[6,6]N[6,6]2H)	C[6,6](N[6,6]C[6]2)2(H)2{2|P<4>,8|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]P[6]HH)2{1|Fe<6>,2|C<3>,2|C<4>}	H(C[6,6]N[6,6]2H)	108.3060	0.025	2	108.3952	0.005	9	109.1538	0.761	34	108.8716	1.406	40	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:1:1:	4:4:4:	4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)2(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]P[6]HH)2	H(C[6,6]N[6,6]2H)	C[6,6](N[6,6]C[6]2)2(H)2{2|P<4>,8|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]P[6]HH)2{1|Fe<7>,2|C<3>,2|C<4>}	H(C[6,6]N[6,6]2H)	108.4207	0.060	7	108.3952	0.005	9	109.1538	0.761	34	108.8716	1.406	40	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:1:1:	4:4:4:	4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)2(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]S[6]HH)2	H(C[6,6]N[6,6]2H)	C[6,6](N[6,6]C[6]2)2(H)2{2|S<2>,8|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]S[6]HH)2{2|C<4>}	H(C[6,6]N[6,6]2H)	109.1455	1.194	2	109.1455	1.426	2	109.1538	0.761	34	108.8716	1.406	40	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:1:1:	4:4:4:	4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6]S[6])(N[6,6]C[6]2)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)	H(C[6,6]N[6,6]2H)	C[6,6](N[6,6]C[6]S[6])(N[6,6]C[6]2)(H)2{1|C<4>,1|N<3>,2|O<1>,6|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH){1|C<4>,2|H<1>,2|S<4>}	H(C[6,6]N[6,6]2H)	111.4315	0.083	2	110.2313	3.972	4	109.1538	0.761	34	108.8716	1.406	40	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:1:1:	4:4:4:	4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6]S[6])(N[6,6]C[6]2)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)	H(C[6,6]N[6,6]2H)	C[6,6](N[6,6]C[6]S[6])(N[6,6]C[6]2)(H)2{1|C<4>,1|N<3>,2|O<1>,6|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH){1|S<4>,2|C<4>,2|H<1>}	H(C[6,6]N[6,6]2H)	109.0310	2.479	2	110.2313	3.972	4	109.1538	0.761	34	108.8716	1.406	40	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:1:1:	4:4:4:	4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6]S[6])(N[6,6]C[6]2)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]O[6]HH)	H(C[6,6]N[6,6]2H)	C[6,6](N[6,6]C[6]S[6])(N[6,6]C[6]2)(H)2{1|C<4>,1|O<2>,2|O<1>,6|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]O[6]HH){1|C<4>,1|S<4>,2|H<1>}	H(C[6,6]N[6,6]2H)	108.8300	0.832	2	108.8300	0.691	2	109.1538	0.761	34	108.8716	1.406	40	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:1:1:	4:4:4:	4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:S[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6]S[6])(N[6,6]C[6]2)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)(S[6]C[6]OO)	H(C[6,6]N[6,6]2H)	C[6,6](N[6,6]C[6]S[6])(N[6,6]C[6]2)(H)2{1|C<4>,1|N<3>,2|O<1>,6|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)(S[6]C[6]OO){1|S<4>,2|C<4>,2|H<1>}	H(C[6,6]N[6,6]2H)	106.2570	1.872	2	107.5602	3.490	4	107.2727	2.333	6	108.8716	1.406	40	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:1:1:	4:4:4:	4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:S[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6]S[6])(N[6,6]C[6]2)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)(S[6]C[6]OO)	H(C[6,6]N[6,6]2H)	C[6,6](N[6,6]C[6]S[6])(N[6,6]C[6]2)(H)2{1|C<4>,1|N<3>,2|O<1>,6|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)(S[6]C[6]OO){2|H<1>,3|C<4>}	H(C[6,6]N[6,6]2H)	108.8635	0.412	2	107.5602	3.490	4	107.2727	2.333	6	108.8716	1.406	40	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:1:1:	4:4:4:	4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:S[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6]S[6])(N[6,6]C[6]2)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]O[6]HH)(S[6]C[6]OO)	H(C[6,6]N[6,6]2H)	C[6,6](N[6,6]C[6]S[6])(N[6,6]C[6]2)(H)2{1|C<4>,1|O<2>,2|O<1>,6|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]O[6]HH)(S[6]C[6]OO){2|C<4>,2|H<1>}	H(C[6,6]N[6,6]2H)	106.6975	0.448	2	106.6975	0.200	2	107.2727	2.333	6	108.8716	1.406	40	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:2:1:	3:4:3:	4:	N[6,6]-3:C[6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]Br)(O[6]C[6])(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6a]C[6])	H(C[6,6]N[6,6]C[6]O[6])	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]Br)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6a]C[6]){1|Br<1>,1|C<4>,2|H<1>,5|C<3>}	H(C[6,6]N[6,6]C[6]O[6])	108.5980	0.000	1	108.5980	0.000	1	108.5980	0.000	1	108.5980	0.000	1	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:2:1:	4:3:4:	4:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6]-4:N[6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(O[6]C[5,6])(H)	N[6,6](C[6,6]C[6,6a]O[6]H)(N[6]C[5,6]S)(C[6]C[6]HH)	H(C[6,6]C[6,6a]N[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(O[6]C[5,6])(H){1|S<4>,3|C<3>,3|C<4>,3|H<1>}	N[6,6](C[6,6]C[6,6a]O[6]H)(N[6]C[5,6]S)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6a]N[6,6]O[6])	108.8443	0.440	4	108.8443	0.193	4	108.8443	0.193	4	108.7712	0.172	5	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:2:1:	4:3:4:	4:	N[6]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:	C[6,6](N[6]C[6,6a]C)(N[6,6]C[6]2)(O[6]C[5,6])(H)	N[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	H(C[6,6]N[6,6]N[6]O[6])	C[6,6](N[6]C[6,6a]C)(N[6,6]C[6]2)(O[6]C[5,6])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]N[6,6]N[6]O[6])	108.4790	0.000	1	108.4790	0.000	1	108.4790	0.000	1	108.7712	0.172	5	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:2:1:	4:4:1:	4:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]H)(O[6]C[6,6a])(H)	N[6,6](C[6,6]C[6,6a]O[6]H)2(H)	H(C[6,6]C[6,6a]N[6,6]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]H)(O[6]C[6,6a])(H){1|H<1>,1|O<2>,5|C<3>}	N[6,6](C[6,6]C[6,6a]O[6]H)2(H){4|C<3>}	H(C[6,6]C[6,6a]N[6,6]O[6])	108.3860	0.034	2	108.3860	0.001	2	108.3860	0.001	2	108.3860	0.001	2	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:2:1:	4:4:4:	4:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(O[6]C[6,6a])(H)	N[6,6](C[6,6]C[6,6a]O[6]H)2(CH3)	H(C[6,6]C[6,6a]N[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(O[6]C[6,6a])(H){1|O<2>,2|H<1>,4|C<3>}	N[6,6](C[6,6]C[6,6a]O[6]H)2(CH3){4|C<3>}	H(C[6,6]C[6,6a]N[6,6]O[6])	108.3945	0.039	2	108.3945	0.002	2	108.3945	0.002	2	108.3499	0.289	10	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:2:1:	4:4:4:	4:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(O[6]C[6,6a])(H)	N[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)	H(C[6,6]C[6,6a]N[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(O[6]C[6,6a])(H){1|C<4>,4|H<1>,5|C<3>}	N[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6,6a]C[6a]H)(C[6]C[6]HH){2|H<1>,6|C<3>}	H(C[6,6]C[6,6a]N[6,6]O[6])	108.6300	0.153	2	108.6300	0.023	2	108.6300	0.023	2	108.3499	0.289	10	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:2:1:	4:4:4:	4:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6]-4:P[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]P[6,6]C[6])(O[6]C[6,6a])(H)	N[6,6](C[6,6]C[6,6a]O[6]H)(P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)	H(C[6,6]C[6,6a]N[6,6]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]P[6,6]C[6])(O[6]C[6,6a])(H){1|O<2>,2|H<1>,2|N<2>,5|C<3>}	N[6,6](C[6,6]C[6,6a]O[6]H)(P[6,6]N[6]2O[6])(C[6]C[6,6a]HH){2|P<4>,4|C<3>}	H(C[6,6]C[6,6a]N[6,6]O[6])	108.3020	0.000	1	108.3020	0.000	1	108.3020	0.000	1	108.3499	0.289	10	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:2:1:	4:4:4:	4:	C[6,6a]-3:N[6,6]-3:S[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(S[6]C[6,6a])(H)	N[6,6](C[6,6]C[6,6a]S[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)	H(C[6,6]C[6,6a]N[6,6]S[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(S[6]C[6,6a])(H){1|C<4>,4|C<3>,5|H<1>}	N[6,6](C[6,6]C[6,6a]S[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH){2|H<1>,4|C<3>}	H(C[6,6]C[6,6a]N[6,6]S[6])	108.7197	0.240	3	108.7197	0.057	3	108.7197	0.057	3	108.3499	0.289	10	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:2:1:	4:4:4:	4:	N[6,6]-3:C[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6])(H)	N[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)2	H(C[6,6]N[6,6]C[6]O[6])	C[6,6](N[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6])(H){3|C<4>,6|H<1>}	N[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]N[6,6]C[6]O[6])	107.4945	0.654	2	107.4945	0.428	2	107.4945	0.428	2	108.3499	0.289	10	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:3:1:	3:3:4:	4:	N[6,6]-3:C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(C[6]N[6]C)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6,6]C[6]2H)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(C[6]N[6]C)(H){1|H<1>,1|S<4>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6,6]C[6]2H){1|N<3>,3|H<1>,6|C<3>}	H(C[6,6]N[6,6]C[6]2)	105.9920	0.000	1	105.9920	0.000	1	105.9920	0.000	1	105.9920	0.000	1	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]N[6]C)	H(C[6,6]C[6,6a]N[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]N[6]C){2|H<1>,5|C<3>}	H(C[6,6]C[6,6a]N[6,6]N[6])	108.4380	0.000	1	108.4380	0.000	1	107.7590	0.922	2	108.0250	0.673	3	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]N)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6])	H(C[6,6]C[6,6a]N[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]N)(H){1|H<1>,1|O<1>,6|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6]){1|H<1>,1|I<1>,1|N<3>,7|C<3>}	H(C[6,6]C[6,6a]N[6,6]N[6])	107.0800	0.000	1	107.0800	0.000	1	107.7590	0.922	2	108.0250	0.673	3	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	N[5a,6]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]N[5a,6]C[6])(N[6]C[6]H)(H)	N[6,6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6])	H(C[6,6]C[6,6a]N[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]N[5a,6]C[6])(N[6]C[6]H)(H){1|H<1>,1|O<1>,6|C<3>}	N[6,6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6]){3|H<1>,7|C<3>}	H(C[6,6]C[6,6a]N[6,6]N[6])	108.5570	0.000	1	108.5570	0.000	1	108.5570	0.000	1	108.0250	0.673	3	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:3:1:	3:4:4:	4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]N[6])(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6a]N[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]N[6])(H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH){1|N<3>,3|H<1>,5|C<3>}	H(C[6,6]C[6,6a]N[6,6]N[6])	107.7030	0.000	1	107.7030	0.000	1	107.5570	0.043	2	107.5570	0.043	2	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:3:1:	3:4:4:	4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6a]C[6])(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6a]N[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6a]C[6])(H){1|C<4>,5|H<1>,6|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH){1|C<4>,3|H<1>,5|C<3>}	H(C[6,6]C[6,6a]N[6,6]N[6])	107.4110	0.000	1	107.4110	0.000	1	107.5570	0.043	2	107.5570	0.043	2	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:3:1:	4:3:2:	4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-3:O[6]-2:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]O[6])(N[6]C[6]O)(H)	N[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6])(O[6]C[6])	H(C[6,6]C[6,6a]N[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]O[6])(N[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6])(O[6]C[6]){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	H(C[6,6]C[6,6a]N[6,6]N[6])	107.1830	0.000	1	107.1830	0.000	1	107.1830	0.000	1	107.1830	0.000	1	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:C[6,6a]-3:N[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(H)	N[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	H(C[6,6]C[5a,6]C[6,6a]N[6,6])	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(H){2|H<1>,8|C<3>}	N[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|N<3>,2|H<1>,7|C<3>}	H(C[6,6]C[5a,6]C[6,6a]N[6,6])	106.8600	0.000	1	106.8600	0.000	1	106.8600	0.000	1	106.8600	0.000	1	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:3:1:	4:3:4:	4:	C[5a,6]-3:C[6,6a]-3:N[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(H)	N[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6,6]C[5a,6]C[6,6a]N[6,6])	C[6,6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(H){1|C<4>,1|N<2>,3|H<1>,6|C<3>}	N[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|N<3>,3|H<1>,5|C<3>}	H(C[6,6]C[5a,6]C[6,6a]N[6,6])	107.7060	0.000	1	107.7060	0.000	1	107.7060	0.000	1	107.7060	0.000	1	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:3:1:	4:4:1:	4:	N[6,6]-3:C[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]N)(N[6]C[6]C)(H)	N[6,6](C[6,6]C[6]N[6]H)2(H)	H(C[6,6]N[6,6]C[6]N[6])	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,1|N<3>,3|H<1>}	N[6,6](C[6,6]C[6]N[6]H)2(H){2|C<3>,2|C<4>,2|N<3>}	H(C[6,6]N[6,6]C[6]N[6])	109.6610	0.134	2	109.6610	0.018	2	109.6610	0.018	2	109.6610	0.018	2	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:3:1:	4:4:3:	4:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:H-1:	C[5]-4:C[6,6]-4:P[6,6]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[6,6]P[6,6]C[5])(H)	N[6,6](C[5]C[5,6a]C[5]H)(C[6,6]C[6,6a]2H)(P[6,6]O[6]2)	H(C[6,6]C[6,6a]2N[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[6,6]P[6,6]C[5])(H){1|C<4>,2|O<2>,3|H<1>,5|C<3>}	N[6,6](C[5]C[5,6a]C[5]H)(C[6,6]C[6,6a]2H)(P[6,6]O[6]2){1|C<4>,2|H<1>,6|C<3>}	H(C[6,6]C[6,6a]2N[6,6])	109.1710	0.000	1	109.1710	0.000	1	109.1710	0.000	1	108.6690	0.732	7	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:3:1:	4:4:3:	4:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:H-1:	C[6]-4:C[6,6]-4:P[6,6]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[6,6]P[6,6]C[6])(H)	N[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6,6a]2H)(P[6,6]O[6]2)	H(C[6,6]C[6,6a]2N[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[6,6]P[6,6]C[6])(H){1|C<4>,2|O<2>,3|H<1>,5|C<3>}	N[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6,6a]2H)(P[6,6]O[6]2){1|C<4>,2|H<1>,6|C<3>}	H(C[6,6]C[6,6a]2N[6,6])	109.0840	0.000	1	109.0840	0.000	1	109.0840	0.000	1	108.6690	0.732	7	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:3:1:	4:4:3:	4:	C[6,6a]-3:N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]C)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(C[6]C[6]H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|C<2>,2|H<1>,3|C<3>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(C[6]C[6]H){3|H<1>,4|C<3>}	H(C[6,6]C[6,6a]N[6,6]C[6])	107.4770	0.000	1	107.4770	0.000	1	107.4770	0.000	1	108.6690	0.732	7	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:3:1:	4:4:3:	4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-4:N[6]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(N[6]C[6]S)(H)	N[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)(N[6]C[6]C)	H(C[6,6]C[6,6a]N[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(N[6]C[6]S)(H){2|C<4>,3|C<3>,5|H<1>}	N[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)(N[6]C[6]C){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]N[6,6]N[6])	107.9455	0.071	2	107.9455	0.005	2	107.9455	0.005	2	108.6690	0.732	7	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:3:1:	4:4:3:	4:	N[6,6]-3:N[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C)(N[6]C[6,6a]C)(C[6]C[6]C)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]N[6]H)(COO)	H(C[6,6]N[6,6]C[6]N[6])	C[6,6](N[6,6]C[6,6]C)(N[6]C[6,6a]C)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]N[6]H)(COO){2|H<1>,5|C<3>}	H(C[6,6]N[6,6]C[6]N[6])	109.5300	0.112	2	109.5300	0.012	2	109.5300	0.012	2	108.6690	0.732	7	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:3:1:	4:4:4:	4:	C[5a,6]-3:C[6,6a]-3:N[6,6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H)	N[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6]HH)2	H(C[6,6]C[5a,6]C[6,6a]N[6,6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H){2|C<4>,4|C<3>,6|H<1>}	N[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6]HH)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[5a,6]C[6,6a]N[6,6])	107.2380	0.000	1	107.2380	0.000	1	107.2380	0.000	1	107.3507	1.251	25	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:3:1:	4:4:4:	4:	C[6,6a]-3:C[6,6]-3:N[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C)(H)	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]N[6]H)(CC[6a]HH)	H(C[6,6]C[6,6a]C[6,6]N[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]N[6]H)(CC[6a]HH){1|Br<1>,1|H<1>,5|C<3>}	H(C[6,6]C[6,6a]C[6,6]N[6,6])	109.0110	0.000	1	109.0110	0.000	1	109.0110	0.000	1	107.3507	1.251	25	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:3:1:	4:4:4:	4:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:H-1:	C[6,6]-4:C[6]-4:S[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(H)	N[6,6](C[6,6]C[6,6a]2H)(C[6]O[6]HH)(S[6]O[6]OO)	H(C[6,6]C[6,6a]2N[6,6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(H){2|O<1>,2|O<2>,3|H<1>,5|C<3>}	N[6,6](C[6,6]C[6,6a]2H)(C[6]O[6]HH)(S[6]O[6]OO){4|C<3>}	H(C[6,6]C[6,6a]2N[6,6])	108.8220	0.000	1	108.8220	0.000	1	108.8220	0.000	1	107.3507	1.251	25	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:3:1:	4:4:4:	4:	C[6,6a]-3:N[6,6]-3:N[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(N[6,6]C[6]2)(H)	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6a]N[6,6]2)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(N[6,6]C[6]2)(H){1|O<1>,3|C<3>,3|C<4>,6|H<1>}	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	H(C[6,6]C[6,6a]N[6,6]2)	106.4330	0.000	1	106.4330	0.000	1	106.4493	0.266	12	107.3507	1.251	25	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:3:1:	4:4:4:	4:	C[6,6a]-3:N[6,6]-3:N[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(N[6,6]C[6]S[6])(H)	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6a]N[6,6]2)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(N[6,6]C[6]S[6])(H){2|O<1>,3|C<3>,3|C<4>,6|H<1>}	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH){1|C<4>,1|S<4>,3|H<1>,5|C<3>}	H(C[6,6]C[6,6a]N[6,6]2)	106.3860	0.000	1	106.3860	0.000	1	106.4493	0.266	12	107.3507	1.251	25	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:3:1:	4:4:4:	4:	C[6,6a]-3:N[6,6]-3:N[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])2(H)	N[6,6](C[6,6]C[6,6a]N[6,6]H)2(C[6]C[6]HH)	H(C[6,6]C[6,6a]N[6,6]2)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])2(H){1|N<3>,2|C<4>,4|C<3>,7|H<1>}	N[6,6](C[6,6]C[6,6a]N[6,6]H)2(C[6]C[6]HH){2|H<1>,3|C<4>,4|C<3>}	H(C[6,6]C[6,6a]N[6,6]2)	106.4573	0.570	10	106.4573	0.325	10	106.4493	0.266	12	107.3507	1.251	25	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:3:1:	4:4:4:	4:	C[6,6a]-3:N[6,6]-3:N[6,6]-3:H-1:	C[6,6]-4:C[6]-4:S[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(N[6,6]C[6]S[6])(H)	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(S[6]C[6]OO)	H(C[6,6]C[6,6a]N[6,6]2)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(N[6,6]C[6]S[6])(H){2|O<1>,3|C<3>,3|C<4>,6|H<1>}	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(S[6]C[6]OO){2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]N[6,6]2)	106.3030	0.000	1	106.3030	0.000	1	106.3030	0.000	1	107.3507	1.251	25	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:3:1:	4:4:4:	4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(N[6]C[6,6a]C)(H)	N[6,6](C[6,6]C[6,6a]N[6]H)2(CC[6a]CH)	H(C[6,6]C[6,6a]N[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(N[6]C[6,6a]C)(H){1|N<3>,2|H<1>,4|C<3>}	N[6,6](C[6,6]C[6,6a]N[6]H)2(CC[6a]CH){2|C<4>,4|C<3>}	H(C[6,6]C[6,6a]N[6,6]N[6])	107.8385	0.067	2	107.8385	0.005	2	107.9815	0.045	6	107.3507	1.251	25	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:3:1:	4:4:4:	4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(N[6]C[6,6a]H)(H)	N[6,6](C[6,6]C[6,6a]N[6]H)2(CC[6a]HH)	H(C[6,6]C[6,6a]N[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(N[6]C[6,6a]H)(H){1|N<3>,2|H<1>,4|C<3>}	N[6,6](C[6,6]C[6,6a]N[6]H)2(CC[6a]HH){2|H<1>,4|C<3>}	H(C[6,6]C[6,6a]N[6,6]N[6])	108.0530	0.229	4	108.0530	0.053	4	107.9815	0.045	6	107.3507	1.251	25	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:3:1:	4:4:4:	4:	N[6,6]-3:C[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]N)(N[6]C[6]C)(H)	N[6,6](C[6,6]C[6]N[6]H)2(CC[6a]HH)	H(C[6,6]N[6,6]C[6]N[6])	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,1|N<3>,3|H<1>}	N[6,6](C[6,6]C[6]N[6]H)2(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	H(C[6,6]N[6,6]C[6]N[6])	109.0560	0.000	1	109.0560	0.000	1	109.1875	0.035	2	107.3507	1.251	25	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:3:1:	4:4:4:	4:	N[6,6]-3:C[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]N)(N[6]C[6]H)(H)	N[6,6](C[6,6]C[6]N[6]H)2(CC[6a]HH)	H(C[6,6]N[6,6]C[6]N[6])	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,1|N<3>,3|H<1>}	N[6,6](C[6,6]C[6]N[6]H)2(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	H(C[6,6]N[6,6]C[6]N[6])	109.3190	0.000	1	109.3190	0.000	1	109.1875	0.035	2	107.3507	1.251	25	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:3:1:	4:4:4:	4:	N[6]-3:N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](N[6]C[6,6]C[6a])(N[6,6]C[6,6]C)(C[6]C[6]C)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]H)(CC[6a]HH)	H(C[6,6]N[6,6]C[6]N[6])	C[6,6](N[6]C[6,6]C[6a])(N[6,6]C[6,6]C)(C[6]C[6]C)(H){2|C<4>,2|H<1>,3|C<3>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]H)(CC[6a]HH){1|C<2>,2|H<1>,4|C<3>}	H(C[6,6]N[6,6]C[6]N[6])	108.7380	0.000	1	108.7380	0.000	1	108.7380	0.000	1	107.3507	1.251	25	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:4:1:	3:4:4:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6a]C[6])(C[6]C[6a]N[6]H)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6a]C[6])(C[6]C[6a]N[6]H)(H){1|C<4>,4|H<1>,6|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH){2|N<3>,4|C<3>,4|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	107.4730	0.000	1	107.4730	0.000	1	107.4730	0.000	1	107.8192	0.190	4	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:4:1:	3:4:4:	4:	N[6,6]-3:N[6,6]-3:C-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])2(CCHH)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]CH)(C[6]C[6,6a]HH)	H(C[6,6]N[6,6]2C)	C[6,6](N[6,6]C[6,6a]C[6])2(CCHH)(H){4|C<3>,4|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]CH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	H(C[6,6]N[6,6]2C)	107.6735	0.015	2	107.6735	0.000	2	107.6735	0.000	2	107.8192	0.190	4	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:4:1:	3:4:4:	4:	N[6,6]-3:N[6]-3:C[6]-4:H-1:	C[5,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[5,6]C[6])(N[6]C[6,6a]H)(C[6]C[6]HH)(H)	N[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]N[6]H)(C[6]C[6,6a]HH)	H(C[6,6]N[6,6]C[6]N[6])	C[6,6](N[6,6]C[5,6]C[6])(N[6]C[6,6a]H)(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	N[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]N[6]H)(C[6]C[6,6a]HH){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]N[6,6]C[6]N[6])	108.4570	0.000	1	108.4570	0.000	1	108.4570	0.000	1	107.8192	0.190	4	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:4:1:	4:3:4:	4:	N[6,6]-3:N[6]-3:C[6]-4:H-1:	C[6,6]-4:N[6]-3:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6]N[6])(N[6]N[6,6]H)(C[6]O[6]HH)(H)	N[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6]H)(C[6]C[6]HH)	H(C[6,6]N[6,6]C[6]N[6])	C[6,6](N[6,6]C[6]N[6])(N[6]N[6,6]H)(C[6]O[6]HH)(H){3|C<4>,3|H<1>}	N[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,6|H<1>}	H(C[6,6]N[6,6]C[6]N[6])	109.2430	0.128	4	109.2430	0.016	4	109.2430	0.016	4	108.7848	1.062	5	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:4:1:	4:3:4:	4:	N[6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:	C[6,6](N[6]C[6,6a]C)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	H(C[6,6]N[6,6]C[6]N[6])	C[6,6](N[6]C[6,6a]C)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]N[6,6]C[6]N[6])	106.9520	0.000	1	106.9520	0.000	1	106.9520	0.000	1	108.7848	1.062	5	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:1:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]H)(C[6]C[5,6]HH)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[5,6]C[6]H)(H)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]H)(C[6]C[5,6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[5,6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	110.9270	0.000	1	110.9270	0.000	1	110.9270	0.000	1	110.9270	0.000	1	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:2:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N[6]-2:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(C[6]C[6]CC)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(N[6]C[6])	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(C[6]C[6]CC)(H){1|C<4>,2|C<2>,3|C<3>,3|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(N[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	H(C[6,6]C[6,6a]N[6,6]C[6])	106.8630	0.000	1	106.8630	0.000	1	106.8630	0.000	1	106.8630	0.000	1	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:3:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]N[6]H)(COO)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]N[6]H)(COO){2|H<1>,5|C<3>}	H(C[6,6]C[6,6a]N[6,6]C[6])	109.5015	0.220	2	109.5015	0.048	2	109.4997	0.024	3	107.9147	2.288	15	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:3:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(C[6]O[6]HS)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2H)(COO)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(C[6]O[6]HS)(H){2|C<3>,2|C<4>,2|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2H)(COO){1|O<2>,1|S<2>,2|C<3>,5|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	109.4960	0.000	1	109.4960	0.000	1	109.4997	0.024	3	107.9147	2.288	15	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:3:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	107.8760	0.000	1	107.8760	0.000	1	107.8760	0.000	1	107.9147	2.288	15	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:3:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:S[6]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]CH)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(S[6]O[6]O)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(S[6]O[6]O){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	107.4260	0.018	2	107.4260	0.000	2	106.2053	4.470	3	107.9147	2.288	15	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:3:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:S[6]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(S[6]O[6]O)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(S[6]O[6]O){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	103.7640	0.000	1	103.7640	0.000	1	106.2053	4.470	3	107.9147	2.288	15	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:3:	4:	C[6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6])(N[6,6]C[6]2)(C[6]C[6]HO)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6])(N[6,6]C[6]2)(C[6]C[6]HO)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.4520	0.000	1	107.4520	0.000	1	107.4520	0.000	1	107.9147	2.288	15	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:3:	4:	N[5,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]N)(C[6]C[6]HH)(H)	N[6,6](C[6,6]N[5,6]C[6]H)(C[6,6]C[6]2H)(NC[6a]H)	H(C[6,6]N[5,6]N[6,6]C[6])	C[6,6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]N)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	N[6,6](C[6,6]N[5,6]C[6]H)(C[6,6]C[6]2H)(NC[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]N[5,6]N[6,6]C[6])	108.6290	0.000	1	108.6290	0.000	1	108.6290	0.000	1	107.9147	2.288	15	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:3:	4:	N[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:N[6]-3:	C[6,6]-4:	C[6,6](N[5a,6]C[5a,6]N[5a])(N[6,6]C[6]N[6])(C[6]C[6]HH)(H)	N[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]C)	H(C[6,6]N[5a,6]N[6,6]C[6])	C[6,6](N[5a,6]C[5a,6]N[5a])(N[6,6]C[6]N[6])(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	N[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<2>,6|H<1>}	H(C[6,6]N[5a,6]N[6,6]C[6])	108.3780	0.000	1	108.3780	0.000	1	108.3780	0.000	1	107.9147	2.288	15	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:3:	4:	N[6,6]-3:C[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]N)(C[6]C[5,6]N)(C[6]C[6]HH)(H)	N[6,6](C[6,6]N[5,6]C[6]H)(C[6,6]C[6]2H)(NC[6a]H)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6]N)(C[6]C[5,6]N)(C[6]C[6]HH)(H){1|C<4>,2|N<3>,3|H<1>}	N[6,6](C[6,6]N[5,6]C[6]H)(C[6,6]C[6]2H)(NC[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.7710	0.000	1	108.7710	0.000	1	108.7710	0.000	1	107.9147	2.288	15	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:3:	4:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[3x6]-4:C[6]-3:	C[6,6]-4:	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H)	H(C[6,6]N[6,6]2C[6])	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H){1|C<3>,4|H<1>,6|C<4>}	H(C[6,6]N[6,6]2C[6])	107.7540	0.000	1	107.5560	0.078	2	107.5560	0.078	2	107.9147	2.288	15	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:3:	4:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[3x6]-4:C[6]-3:	C[6,6]-4:	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H)	H(C[6,6]N[6,6]2C[6])	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]H){4|H<1>,7|C<4>}	H(C[6,6]N[6,6]2C[6])	107.3580	0.000	1	107.5560	0.078	2	107.5560	0.078	2	107.9147	2.288	15	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:3:	4:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6a]C[6a]2)	H(C[6,6]N[6,6]2C[6])	C[6,6](N[6,6]C[6,6]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|N<2>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6a]C[6a]2){1|C<4>,4|C<3>,6|H<1>}	H(C[6,6]N[6,6]2C[6])	109.2160	0.000	1	109.2160	0.000	1	109.2160	0.000	1	107.9147	2.288	15	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:3:	4:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:S[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](N[6,6]C[6,6,6a]C[6])(N[6,6]C[6]S[6])(C[6]C[6]HH)(H)	N[6,6](C[6,6]N[6,6]C[6]H)(S[6]C[6,6a]OO)(C[6]C[6a]C[6])	H(C[6,6]N[6,6]2C[6])	C[6,6](N[6,6]C[6,6,6a]C[6])(N[6,6]C[6]S[6])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	N[6,6](C[6,6]N[6,6]C[6]H)(S[6]C[6,6a]OO)(C[6]C[6a]C[6]){2|C<4>,3|H<1>,4|C<3>}	H(C[6,6]N[6,6]2C[6])	106.1710	0.000	1	106.1710	0.000	1	106.1710	0.000	1	107.9147	2.288	15	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:4:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	107.5620	0.000	1	107.5620	0.000	1	108.5640	0.760	3	108.2622	1.093	55	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:4:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5,6]O[5]C)(C[6]C[6]HH){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	109.0650	0.119	2	109.0650	0.014	2	108.5640	0.760	3	108.2622	1.093	55	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:4:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6,6]HH)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6,6]C[6]H)(CH3)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6,6]HH)(H){2|C<3>,2|H<1>,4|C<4>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6,6]C[6]H)(CH3){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	109.3060	0.301	2	109.3960	0.070	3	108.7193	0.915	7	108.2622	1.093	55	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:4:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6,6]HH)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6,6]C[6]H)(CH3)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6,6]HH)(H){2|H<1>,3|C<3>,3|C<4>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6,6]C[6]H)(CH3){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	109.5760	0.000	1	109.3960	0.070	3	108.7193	0.915	7	108.2622	1.093	55	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:4:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(CCCH)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(CCCH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	109.0315	0.510	2	109.0315	0.260	2	108.7193	0.915	7	108.2622	1.093	55	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:4:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(CC[6a]HH)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,4|C<4>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(CC[6a]HH){1|C<2>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	107.3920	0.000	2	107.3920	0.000	2	108.7193	0.915	7	108.2622	1.093	55	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:4:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[4]-4:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[4])(C[6]N[6]HH)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(C[4]C[4]2C)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[4])(C[6]N[6]HH)(H){3|C<4>,3|H<1>,4|C<3>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(C[4]C[4]2C){1|C<3>,1|C<4>,1|O<1>,2|N<3>,8|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	111.4060	0.000	1	111.4060	0.000	1	111.4060	0.000	1	108.2622	1.093	55	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:4:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){3|C<3>,3|C<4>,5|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	107.7550	0.000	1	107.7550	0.000	1	108.0589	1.149	15	108.2622	1.093	55	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:4:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CO)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]CO)(H){1|S<4>,2|C<3>,2|C<4>,6|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	109.4870	0.000	1	109.4870	0.000	1	108.0589	1.149	15	108.2622	1.093	55	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:4:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	107.7677	0.131	3	108.1786	0.328	5	108.0589	1.149	15	108.2622	1.093	55	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:4:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	108.7950	0.107	2	108.1786	0.328	5	108.0589	1.149	15	108.2622	1.093	55	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:4:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,7|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	108.1950	0.034	2	107.8300	1.637	6	108.0589	1.149	15	108.2622	1.093	55	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:4:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,4|H<1>,5|C<3>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2{1|N<3>,3|C<3>,4|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	108.2550	0.000	1	107.8300	1.637	6	108.0589	1.149	15	108.2622	1.093	55	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:4:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,5|C<3>,5|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	105.2910	0.000	1	107.8300	1.637	6	108.0589	1.149	15	108.2622	1.093	55	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:4:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	108.9290	0.000	1	107.8300	1.637	6	108.0589	1.149	15	108.2622	1.093	55	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:4:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	108.1150	0.000	1	107.8300	1.637	6	108.0589	1.149	15	108.2622	1.093	55	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:4:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|S<4>,2|C<4>,3|C<3>,3|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]HH){1|N<3>,4|C<3>,6|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	109.3000	0.000	1	109.3000	0.000	1	108.0589	1.149	15	108.2622	1.093	55	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:4:	4:	C[5a,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5a,6]N[5a,6]C[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]N[5a,6]C[5a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,7|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	106.4680	0.000	1	106.4680	0.000	1	108.0589	1.149	15	108.2622	1.093	55	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:4:	4:	C[6,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]H)(CC[6a]HH)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6]H)(CC[6a]HH){1|C<2>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]N[6,6]C[6])	108.3170	0.000	1	108.3170	0.000	1	108.3170	0.000	1	108.2622	1.093	55	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:4:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	H(C[6,6]C[6,6a]N[6,6]C[6])	108.0520	0.000	1	108.0520	0.000	1	107.1385	1.669	2	108.2622	1.093	55	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:4:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6]S[6]CH)(H)	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6]S[6]CH)(H){1|C<4>,1|N<3>,2|O<1>,3|C<3>,4|H<1>}	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH){1|C<4>,1|S<4>,3|H<1>,5|C<3>}	H(C[6,6]C[6,6a]N[6,6]C[6])	106.2250	0.000	1	106.2250	0.000	1	107.1385	1.669	2	108.2622	1.093	55	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:4:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,7|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	108.2290	0.049	2	108.6767	0.619	4	108.9295	1.032	8	108.2622	1.093	55	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:4:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,7|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2{3|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	109.1245	1.026	2	108.6767	0.619	4	108.9295	1.032	8	108.2622	1.093	55	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:4:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH){2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	109.7200	0.000	1	109.7200	0.000	1	108.9295	1.032	8	108.2622	1.093	55	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:4:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2{3|C<3>,6|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	110.4740	0.000	1	110.4740	0.000	1	108.9295	1.032	8	108.2622	1.093	55	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:4:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HN)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HN)(H){2|C<4>,3|C<3>,6|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	108.2675	1.105	2	108.2675	1.221	2	108.9295	1.032	8	108.2622	1.093	55	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:4:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:S[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]2H)(S[6]O[6]OO)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>,3|O<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]2H)(S[6]O[6]OO){2|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	107.8700	0.000	1	107.8700	0.000	1	107.8700	0.000	1	108.2622	1.093	55	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:4:	4:	C[6]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6]C[5a,6]O)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[5a,6]O)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	N[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|S<2>,4|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.0890	0.000	1	108.0890	0.000	1	108.0890	0.000	1	108.2622	1.093	55	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:4:	4:	N[6,6]-3:N[3x6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C[6])(N[3x6]C[3x6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)	H(C[6,6]N[3x6]N[6,6]C[6])	C[6,6](N[6,6]C[6,6]C[6])(N[3x6]C[3x6]2)(C[6]C[6]HH)(H){1|N<3>,5|C<4>,7|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]N[3x6]C[6]H)(C[6]C[6]HH){5|C<4>,7|H<1>}	H(C[6,6]N[3x6]N[6,6]C[6])	107.9785	0.149	2	107.9785	0.022	2	107.9785	0.022	2	108.2622	1.093	55	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:4:	4:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[3x6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]HH)	H(C[6,6]N[6,6]2C[6])	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H){4|C<4>,9|H<1>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]HH){6|C<4>,6|H<1>}	H(C[6,6]N[6,6]2C[6])	107.1800	0.000	1	107.1800	0.000	1	107.1800	0.000	1	108.2622	1.093	55	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:4:	4:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C[6])2(C[6]C[6]HH)(H)	N[6,6](C[6,6]N[6,6]C[6]H)2(C[6]C[6]HH)	H(C[6,6]N[6,6]2C[6])	C[6,6](N[6,6]C[6,6]C[6])2(C[6]C[6]HH)(H){1|N<3>,4|C<4>,8|H<1>}	N[6,6](C[6,6]N[6,6]C[6]H)2(C[6]C[6]HH){5|C<4>,6|H<1>}	H(C[6,6]N[6,6]2C[6])	108.0423	0.698	6	108.0423	0.487	6	108.0423	0.487	6	108.2622	1.093	55	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:4:	4:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[3x6]C[5,6])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[6,6]N[6,6]2C[6])	C[6,6](N[6,6]C[3x6]C[5,6])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,7|H<1>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,5|H<1>}	H(C[6,6]N[6,6]2C[6])	108.8340	0.000	1	108.8340	0.000	1	107.7179	0.395	7	108.2622	1.093	55	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:4:	4:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[6,6]N[6,6]2C[6])	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,8|H<1>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,5|H<1>}	H(C[6,6]N[6,6]2C[6])	107.7572	0.290	4	107.5318	0.183	6	107.7179	0.395	7	108.2622	1.093	55	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:4:	4:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[6,6]N[6,6]2C[6])	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,4|C<4>,7|H<1>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,5|H<1>}	H(C[6,6]N[6,6]2C[6])	106.9170	0.000	1	107.5318	0.183	6	107.7179	0.395	7	108.2622	1.093	55	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:3:4:1:	4:4:4:	4:	N[6,6]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[6,6]N[6,6]2C[6])	C[6,6](N[6,6]C[3x6]C[6])(N[6,6]C[6]2)(C[6]C[6]HH)(H){4|C<4>,9|H<1>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){4|C<4>,5|H<1>}	H(C[6,6]N[6,6]2C[6])	107.2450	0.000	1	107.5318	0.183	6	107.7179	0.395	7	108.2622	1.093	55	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]2C)(H)2	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)	H(C[6,6]C[6,6]N[6,6]H)	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]2C)(H)2{1|C<3>,1|C<4>,1|N<2>,6|H<1>}	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]N[6,6]H)	109.4250	0.078	2	109.4250	0.006	2	109.3652	0.020	13	109.3652	0.020	13	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]2H)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)	H(C[6,6]C[6,6]N[6,6]H)	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]2H)(H)2{1|C<4>,3|C<3>,5|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[6,6]H)	109.3875	0.036	2	109.3875	0.001	2	109.3652	0.020	13	109.3652	0.020	13	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]2H)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6a]C[6]H)	H(C[6,6]C[6,6]N[6,6]H)	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]2H)(H)2{1|Cl<1>,1|C<4>,3|C<3>,4|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6a]C[6]H){2|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6]N[6,6]H)	109.4550	0.035	6	109.4550	0.001	6	109.3652	0.020	13	109.3652	0.020	13	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]Si[6]C[6]H)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)	H(C[6,6]C[6,6]N[6,6]H)	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]Si[6]C[6]H)(H)2{2|C<4>,3|C<3>,4|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH){1|Si<4>,1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]N[6,6]H)	109.1415	0.019	2	109.1310	0.001	3	109.3652	0.020	13	109.3652	0.020	13	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]Si[6]C[6]H)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)	H(C[6,6]C[6,6]N[6,6]H)	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]Si[6]C[6]H)(H)2{2|C<4>,3|C<3>,4|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH){1|Si<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[6,6]H)	109.1100	0.000	1	109.1310	0.001	3	109.3652	0.020	13	109.3652	0.020	13	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:2:1:	4:4:2:	4:	N[6,6]-3:C[6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[6,6]-4:O-2:	C[6,6]-4:	C[6,6](N[6,6]C[5,6,6]O)(C[6]C[6]HH)(O[6]C[6])(H)	N[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]O[6]H)(OH)	H(C[6,6]N[6,6]C[6]O[6])	C[6,6](N[6,6]C[5,6,6]O)(C[6]C[6]HH)(O[6]C[6])(H){3|C<4>,4|H<1>}	N[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]O[6]H)(OH){4|C<4>,7|H<1>}	H(C[6,6]N[6,6]C[6]O[6])	108.4400	0.000	1	108.4400	0.000	1	108.4400	0.000	1	108.4400	0.000	1	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:2:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:N[6]-2:H-1:	C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[6]HH)(N[6]C[6,6])(H)	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6a]C[6a]2)	H(C[6,6]N[6,6]C[6]N[6])	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[6]HH)(N[6]C[6,6])(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]N[6]H)(C[6a]C[6a]2){1|C<4>,4|C<3>,6|H<1>}	H(C[6,6]N[6,6]C[6]N[6])	107.6140	0.000	1	107.6140	0.000	1	107.6140	0.000	1	106.1338	1.581	4	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:2:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:N[6]-3:	C[6,6]-4:	C[6,6](N[6,6]C[6]N[6])(C[6]C[6]HH)(O[6]C[6])(H)	N[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(N[6]C[6]C)	H(C[6,6]N[6,6]C[6]O[6])	C[6,6](N[6,6]C[6]N[6])(C[6]C[6]HH)(O[6]C[6])(H){1|C<2>,1|C<3>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(N[6]C[6]C){3|C<4>,5|H<1>}	H(C[6,6]N[6,6]C[6]O[6])	105.6403	0.954	3	105.6403	0.910	3	105.6403	0.910	3	106.1338	1.581	4	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:3:1:	4:3:4:	4:	C[6,6a]-3:C[5,6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6a]C[6])(H)	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6,6]C[6,6a]C[5,6]N[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6a]C[6])(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	H(C[6,6]C[6,6a]C[5,6]N[6,6])	107.6555	0.145	2	107.6555	0.021	2	107.6555	0.021	2	107.6555	0.021	2	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:3:1:	4:4:1:	4:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[5,6,6]H)(C[6]C[6]CH)(C[6]C[6]H)(H)	N[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[5,6,6]H)(C[6]C[6]CH)(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|N<3>,3|H<1>}	N[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]N[6,6]C[6]2)	109.2900	0.000	1	109.2900	0.000	1	109.2900	0.000	1	109.2900	0.000	1	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:3:1:	4:4:3:	4:	C[5a,6]-3:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H)	N[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6,6]C[5a,6]C[6,6]N[6,6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(H){1|O<1>,3|C<3>,4|C<4>,5|H<1>}	N[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[5a,6]C[6,6]N[6,6])	107.0390	0.000	1	107.0390	0.000	1	107.0390	0.000	1	107.6610	0.252	7	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:3:1:	4:4:3:	4:	N[6,6]-3:C[3x6]-4:B[5a]-3:H-1:	C[6,6]-4:C[3x6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(B[5a]O[5a]2)(H)	N[6,6](C[6,6]C[3x6]B[5a]H)(C[3x6]C[6,6]2C)(C[6a]C[6a]2)	H(C[6,6]C[3x6]N[6,6]B[5a])	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(B[5a]O[5a]2)(H){3|H<1>,4|C<3>,4|C<4>}	N[6,6](C[6,6]C[3x6]B[5a]H)(C[3x6]C[6,6]2C)(C[6a]C[6a]2){2|C<3>,2|O<2>,4|H<1>,5|C<4>}	H(C[6,6]C[3x6]N[6,6]B[5a])	108.4250	0.000	1	108.4250	0.000	1	108.4250	0.000	1	107.6610	0.252	7	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:3:1:	4:4:3:	4:	N[6,6]-3:C[3x6]-4:B[6,6]-3:H-1:	C[6,6]-4:C[3x6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(B[6,6]C[6,6]2)(H)	N[6,6](C[6,6]B[6,6]C[3x6]H)(C[3x6]C[6,6]2C)(C[6a]C[6a]2)	H(C[6,6]B[6,6]C[3x6]N[6,6])	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2C)(B[6,6]C[6,6]2)(H){2|C<3>,5|H<1>,8|C<4>}	N[6,6](C[6,6]B[6,6]C[3x6]H)(C[3x6]C[6,6]2C)(C[6a]C[6a]2){2|C<3>,4|H<1>,7|C<4>}	H(C[6,6]B[6,6]C[3x6]N[6,6])	107.3660	0.000	1	107.3660	0.000	1	107.3660	0.000	1	107.6610	0.252	7	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:3:1:	4:4:3:	4:	N[6,6]-3:C[3x6]-4:C[6a]-3:H-1:	C[6,6]-4:C[3x6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)	H(C[6,6]C[3x6]N[6,6]C[6a])	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,5|C<3>,5|H<1>}	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2){1|C<4>,5|H<1>,6|C<3>}	H(C[6,6]C[3x6]N[6,6]C[6a])	107.5910	0.072	2	107.6993	0.150	4	107.6993	0.150	4	107.6610	0.252	7	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:3:1:	4:4:3:	4:	N[6,6]-3:C[3x6]-4:C[6a]-3:H-1:	C[6,6]-4:C[3x6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)	H(C[6,6]C[3x6]N[6,6]C[6a])	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,5|C<3>,5|H<1>}	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2){1|C<4>,5|H<1>,6|C<3>}	H(C[6,6]C[3x6]N[6,6]C[6a])	107.3610	0.000	1	107.6993	0.150	4	107.6993	0.150	4	107.6610	0.252	7	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:3:1:	4:4:3:	4:	N[6,6]-3:C[3x6]-4:C[6a]-3:H-1:	C[6,6]-4:C[3x6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)	H(C[6,6]C[3x6]N[6,6]C[6a])	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2){1|C<4>,1|O<2>,5|C<3>,6|H<1>}	H(C[6,6]C[3x6]N[6,6]C[6a])	108.2540	0.000	1	107.6993	0.150	4	107.6993	0.150	4	107.6610	0.252	7	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:3:1:	4:4:4:	4:	C[5a,6]-3:C[5,6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]O[5]H)(N[6,6]C[6]2)(H)	N[6,6](C[6,6]C[5a,6]C[5,6]H)(C[6]C[6]HH)2	H(C[6,6]C[5a,6]C[5,6]N[6,6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]O[5]H)(N[6,6]C[6]2)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	N[6,6](C[6,6]C[5a,6]C[5,6]H)(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<3>,2|O<2>,4|H<1>}	H(C[6,6]C[5a,6]C[5,6]N[6,6])	108.0700	0.000	1	108.0700	0.000	1	108.0700	0.000	1	108.1904	0.800	33	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:3:1:	4:4:4:	4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,6|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	109.4970	0.000	1	109.4970	0.000	1	108.4003	2.086	10	108.1904	0.800	33	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:3:1:	4:4:4:	4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){3|C<3>,3|C<4>,5|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	107.1800	0.403	2	107.1800	0.162	2	108.4003	2.086	10	108.1904	0.800	33	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:3:1:	4:4:4:	4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){1|C<4>,4|H<1>,5|C<3>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	109.4070	0.000	1	108.5923	2.362	7	108.4003	2.086	10	108.1904	0.800	33	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:3:1:	4:4:4:	4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){1|S<4>,2|C<3>,3|C<4>,5|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	107.0675	0.274	2	108.5923	2.362	7	108.4003	2.086	10	108.1904	0.800	33	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:3:1:	4:4:4:	4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){2|C<3>,3|C<4>,6|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	108.3590	0.060	3	108.5923	2.362	7	108.4003	2.086	10	108.1904	0.800	33	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:3:1:	4:4:4:	4:	C[5a,6]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[6,6]C[5a,6]N[6,6]C[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){2|C<4>,3|C<3>,6|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[5a,6]N[6,6]C[6])	111.5270	0.000	1	108.5923	2.362	7	108.4003	2.086	10	108.1904	0.800	33	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:3:1:	4:4:4:	4:	C[6,6a]-3:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C)(H)	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]2H)(CH3)	H(C[6,6]C[6,6a]C[6,6]N[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C)(H){1|O<2>,1|S<2>,2|H<1>,3|C<3>,3|C<4>}	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]2H)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]N[6,6])	107.0630	0.000	1	107.0630	0.000	1	107.0630	0.000	1	108.1904	0.800	33	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:3:1:	4:4:4:	4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)2(CH3)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(H){1|C<4>,2|H<1>,4|C<3>}	N[6,6](C[6,6]C[6,6a]C[6]H)2(CH3){4|C<3>,4|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	108.2695	0.190	2	108.2695	0.036	2	108.2695	0.036	2	108.1904	0.800	33	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:3:1:	4:4:4:	4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(N[6,6]C[6]2)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(C[6]C[6]HH)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(N[6,6]C[6]2)(H){1|C<4>,4|C<3>,5|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	107.7390	0.000	1	107.7390	0.000	1	108.1757	0.184	14	108.1904	0.800	33	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:3:1:	4:4:4:	4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(N[6,6]C[6]2)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(N[6,6]C[6]2)(H){1|C<4>,4|C<3>,5|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6a]N[6,6]C[6])	108.3700	0.000	1	108.3700	0.000	1	108.1757	0.184	14	108.1904	0.800	33	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:3:1:	4:4:4:	4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(N[6,6]C[6]2)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(N[6,6]C[6]2)(H){1|C<4>,4|H<1>,7|C<3>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6,6a]HH){2|H<1>,8|C<3>}	H(C[6,6]C[6,6a]N[6,6]C[6])	107.0300	0.000	1	107.0300	0.000	1	108.1757	0.184	14	108.1904	0.800	33	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:3:1:	4:4:4:	4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]CH)(C[6]C[6]HH)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H){1|N<2>,2|C<4>,3|C<3>,4|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]CH)(C[6]C[6]HH){4|C<3>,4|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	108.5220	0.000	1	108.5220	0.000	1	108.1757	0.184	14	108.1904	0.800	33	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:3:1:	4:4:4:	4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH){4|C<3>,4|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	108.0220	0.000	1	108.2799	0.069	10	108.1757	0.184	14	108.1904	0.800	33	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:3:1:	4:4:4:	4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H){1|C<4>,4|C<3>,5|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH){4|C<3>,4|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	108.3086	0.261	9	108.2799	0.069	10	108.1757	0.184	14	108.1904	0.800	33	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:3:1:	4:4:4:	4:	C[6,6a]-3:P[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]2)(N[6,6]C[6,6]C)(H)	N[6,6](C[6,6]C[6,6a]P[6]H)2(CCHH)	H(C[6,6]C[6,6a]N[6,6]P[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]2)(N[6,6]C[6,6]C)(H){1|P<4>,2|H<1>,8|C<3>}	N[6,6](C[6,6]C[6,6a]P[6]H)2(CCHH){8|C<3>}	H(C[6,6]C[6,6a]N[6,6]P[6])	107.2030	0.390	2	107.2030	0.152	2	107.2030	0.152	2	108.1904	0.800	33	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:3:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]H)(H)	N[6,6](C[6,6]C[6]2H)2(CC3)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[6]2H)2(CC3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.8370	0.000	1	108.8370	0.000	1	108.8370	0.000	1	108.1904	0.800	33	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:3:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[4]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C[4])(C[6]C[5a,6]HH)(C[6]N[6]O)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(C[4]C[4]2C)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6]C[4])(C[6]C[5a,6]HH)(C[6]N[6]O)(H){2|H<1>,3|C<3>,3|C<4>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(C[4]C[4]2C){1|C<3>,1|C<4>,1|O<1>,2|N<3>,8|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.5110	0.000	1	108.5110	0.000	1	108.5110	0.000	1	108.1904	0.800	33	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:3:1:	4:4:4:	4:	N[6]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](N[6]C[6,6]C[6a])(C[6]C[6,6a]BrH)(N[6,6]C[6,6]C)(H)	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]N[6]H)(CC[6a]HH)	H(C[6,6]N[6,6]C[6]N[6])	C[6,6](N[6]C[6,6]C[6a])(C[6]C[6,6a]BrH)(N[6,6]C[6,6]C)(H){1|C<4>,1|H<1>,5|C<3>}	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]N[6]H)(CC[6a]HH){1|Br<1>,1|H<1>,5|C<3>}	H(C[6,6]N[6,6]C[6]N[6])	108.3950	0.000	1	108.3950	0.000	1	108.3950	0.000	1	108.1904	0.800	33	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:4:1:	3:4:4:	4:	N[6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)	H(C[6,6]C[5,6]N[6,6]C[6])	C[6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]2C[6])(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>,6|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH){2|C<4>,4|C<3>,5|H<1>}	H(C[6,6]C[5,6]N[6,6]C[6])	110.6650	0.000	1	110.6650	0.000	1	111.0005	0.225	2	109.6720	1.631	5	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:4:1:	3:4:4:	4:	N[6,6]-3:C[5,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]2C[6])(C[6]O[6]CH)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)	H(C[6,6]C[5,6]N[6,6]C[6])	C[6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]2C[6])(C[6]O[6]CH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[5,6]N[6,6]C[6])	111.3360	0.000	1	111.3360	0.000	1	111.0005	0.225	2	109.6720	1.631	5	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:4:1:	3:4:4:	4:	N[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6,6a]C[6])(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](N[6,6]C[6,6,6a]C[6])(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6,6]C[6]H)(C[6]O[6]HH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	109.0485	0.045	2	109.0485	0.002	2	109.0485	0.002	2	109.6720	1.631	5	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:4:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]O[6]HH)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]CC)(C[6]O[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<2>,1|C<4>,1|O<2>,3|C<3>,5|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.2620	0.000	1	108.2620	0.000	1	108.2620	0.000	1	109.6720	1.631	5	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:4:1:	4:4:1:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[5,6,6]H)(C[6]C[6]HH)2(H)	N[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6]2H)(H)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[5,6,6]H)(C[6]C[6]HH)2(H){1|O<2>,2|C<4>,4|H<1>}	N[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6]2H)(H){5|C<4>,6|H<1>}	H(C[6,6]N[6,6]C[6]2)	106.5037	0.709	3	106.5037	0.503	3	106.5037	0.503	3	107.6214	1.326	8	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:4:1:	4:4:1:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(H)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,3|C<4>}	N[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(H){1|C<3>,3|C<4>,6|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.3530	0.075	2	108.3530	0.006	2	107.9100	0.592	3	107.6214	1.326	8	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:4:1:	4:4:1:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H)	N[6,6](C[6,6]C[6]2H)(C[6,6]C[6]2O)(H)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<4>,2|O<2>,3|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6,6]C[6]2O)(H){1|O<2>,2|C<4>,2|F<1>,5|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.0240	0.000	1	107.0240	0.000	1	107.9100	0.592	3	107.6214	1.326	8	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:4:1:	4:4:1:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:O-1:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]O)(C[6]C[6]HH)2(H)	N[6,6](C[6,6]C[6]2H)2(O)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6]O)(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[6]2H)2(O){1|C<3>,1|C<4>,8|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.8650	0.042	2	108.8650	0.002	2	108.8650	0.002	2	107.6214	1.326	8	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:4:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]MoH)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(COO)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]MoH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(COO){1|Mo<7>,1|C<3>,1|C<4>,1|O<1>,5|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.4200	0.000	1	108.4200	0.000	1	108.4200	0.000	1	108.0947	0.083	3	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:4:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[6]HH)2(H)	N[6,6](C[6,6]C[6]2H)2(C[6a]C[6a]2)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[6]HH)2(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[6]2H)2(C[6a]C[6a]2){10|H<1>,1|C<4>,3|C<3>}	H(C[6,6]N[6,6]C[6]2)	107.9320	0.089	2	107.9320	0.008	2	107.9320	0.008	2	108.0947	0.083	3	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:4:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6]2H)2(CC[6a]HH)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[6]2H)2(CC[6a]HH){1|C<3>,2|C<4>,7|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.7350	0.000	1	107.7350	0.000	1	107.7705	0.082	20	108.0417	0.692	30	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:4:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	N[6,6](C[6,6]C[6]2H)(C[6,6]C[6]2O)(CH3)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<4>,2|O<2>,3|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6,6]C[6]2O)(CH3){1|O<2>,2|C<4>,2|F<1>,5|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.0740	0.000	1	107.0740	0.000	1	107.7705	0.082	20	108.0417	0.692	30	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:4:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H)	N[6,6](C[6,6]C[6]2H)2(CC3)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,3|H<1>}	N[6,6](C[6,6]C[6]2H)2(CC3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.7910	0.000	1	107.7910	0.000	1	107.7705	0.082	20	108.0417	0.692	30	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:4:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)2(H)	N[6,6](C[6,6]C[6]2H)2(CC3)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[6]2H)2(CC3){2|C<4>,8|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.3835	0.139	2	107.3835	0.019	2	107.7705	0.082	20	108.0417	0.692	30	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:4:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)2(H)	N[6,6](C[6,6]C[6]2H)2(CC[6a]HH)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)2(H){1|O<1>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[6]2H)2(CC[6a]HH){1|C<3>,2|C<4>,7|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.7320	0.000	1	107.7320	0.000	1	107.7705	0.082	20	108.0417	0.692	30	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:4:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)2(H)	N[6,6](C[6,6]C[6]2H)2(CH3)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)2(H){1|N<3>,2|C<4>,4|H<1>}	N[6,6](C[6,6]C[6]2H)2(CH3){2|C<4>,8|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.8793	0.211	14	107.8793	0.044	14	107.7705	0.082	20	108.0417	0.692	30	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:4:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	H(C[6,6]N[6,6]C[6]2)	106.8487	0.096	3	106.8487	0.009	3	107.7862	1.793	5	108.0417	0.692	30	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:4:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]O[6]HH)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|O<2>,3|H<1>,4|C<4>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,7|H<1>}	H(C[6,6]N[6,6]C[6]2)	109.7220	0.000	1	109.7220	0.000	1	107.7862	1.793	5	108.0417	0.692	30	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:4:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]HO)(C[6]S[6]HH)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HO)(C[6]S[6]HH)(H){1|O<2>,2|C<4>,2|O<1>,5|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2{1|C<4>,1|S<4>,2|O<2>,6|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.6630	0.000	1	108.6630	0.000	1	107.7862	1.793	5	108.0417	0.692	30	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:4:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:S[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6]S[6])(C[6]C[6]HH)(C[6]O[6]HH)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(S[6]N[6]OO)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]S[6])(C[6]C[6]HH)(C[6]O[6]HH)(H){1|N<2>,2|C<4>,2|O<1>,3|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(S[6]N[6]OO){1|C<4>,1|O<2>,6|H<1>}	H(C[6,6]N[6,6]C[6]2)	109.2090	0.503	2	109.2090	0.253	2	109.1790	0.129	3	108.0417	0.692	30	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:4:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:S[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6]S[6])(C[6]C[6]HH)2(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(S[6]N[6]OO)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]S[6])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,2|O<1>,5|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(S[6]N[6]OO){2|C<4>,7|H<1>}	H(C[6,6]N[6,6]C[6]2)	109.1190	0.000	1	109.1190	0.000	1	109.1790	0.129	3	108.0417	0.692	30	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	3:4:4:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]O[6]HH)(H)	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]CH)	H(C[6,6]N[6,6]C[6]2)	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,7|H<1>}	H(C[6,6]N[6,6]C[6]2)	109.6865	0.022	2	109.6865	0.000	2	109.6865	0.000	2	108.0417	0.692	30	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:1:1:	3:4:4:	4:	N[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6]H)(N[6,6]C[6,6a]C[6])(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	H(C[6,6]N[6,6]2H)	C[6,6](N[6,6]C[6,6a]C[6]H)(N[6,6]C[6,6a]C[6])(H)2{4|C<3>,4|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,2|H<1>,4|C<3>}	H(C[6,6]N[6,6]2H)	109.7913	0.064	4	109.7913	0.004	4	109.7913	0.004	4	109.7913	0.004	4	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:1:1:	4:3:4:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[3x6]-3:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	N[6,6](C[6,6]C[3x6]HH)(C[3x6]C[6,6]2)(CCHH)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{2|C<4>,4|H<1>}	N[6,6](C[6,6]C[3x6]HH)(C[3x6]C[6,6]2)(CCHH){1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]N[6,6]H)	109.5990	0.021	2	109.5990	0.000	2	109.5990	0.000	2	109.5420	0.005	4	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:1:1:	4:3:4:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(H)2	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]C[6])(C[6]C[6]HH)	H(C[6,6]C[6,6]N[6,6]H)	C[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(H)2{1|C<4>,2|C<3>,6|H<1>}	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]C[6])(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[6,6]H)	109.4850	0.033	2	109.4850	0.001	2	109.4850	0.001	2	109.5420	0.005	4	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(N[6,6]C[6]2)(H)2	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(C[6]C[6]O)	H(C[6,6]C[6,6]N[6,6]H)	C[6,6](C[6,6]C[6,6a]C[6]H)(N[6,6]C[6]2)(H)2{1|O<1>,2|H<1>,4|C<3>}	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(C[6]C[6]O){2|H<1>,3|C<3>}	H(C[6,6]C[6,6]N[6,6]H)	110.3915	0.086	2	110.3915	0.007	2	110.0071	0.066	8	110.0071	0.066	8	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(H)2	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]N)	H(C[6,6]C[6,6]N[6,6]H)	C[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(H)2{1|N<2>,2|C<4>,6|H<1>}	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]N){2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[6,6]H)	110.0210	0.020	2	110.0210	0.000	2	110.0071	0.066	8	110.0071	0.066	8	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(H)2	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]S[6]N)	H(C[6,6]C[6,6]N[6,6]H)	C[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(H)2{1|C<4>,1|N<2>,1|S<2>,6|H<1>}	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]S[6]N){2|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[6,6]H)	109.8080	0.029	4	109.8080	0.001	4	110.0071	0.066	8	110.0071	0.066	8	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:1:1:	4:4:4:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{1|C<3>,1|C<4>,4|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH){1|H<1>,2|C<3>,3|C<4>}	H(C[6,6]C[3x6]N[6,6]H)	109.9760	0.023	2	109.7916	0.041	21	109.7916	0.041	21	109.6226	0.119	69	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:1:1:	4:4:4:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{1|C<3>,1|C<4>,5|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH){1|H<1>,2|C<4>,3|C<3>}	H(C[6,6]C[3x6]N[6,6]H)	109.7945	0.032	2	109.7916	0.041	21	109.7916	0.041	21	109.6226	0.119	69	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:1:1:	4:4:4:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{2|C<4>,5|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]N[6,6]H)	109.7970	0.093	3	109.7916	0.041	21	109.7916	0.041	21	109.6226	0.119	69	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:1:1:	4:4:4:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{2|C<4>,5|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH){1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[3x6]N[6,6]H)	109.5830	0.062	2	109.7916	0.041	21	109.7916	0.041	21	109.6226	0.119	69	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:1:1:	4:4:4:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{2|C<4>,5|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH){1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]N[6,6]H)	109.6988	0.204	8	109.7916	0.041	21	109.7916	0.041	21	109.6226	0.119	69	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:1:1:	4:4:4:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{2|C<4>,5|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]N[6,6]H)	109.8030	0.011	2	109.7916	0.041	21	109.7916	0.041	21	109.6226	0.119	69	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:1:1:	4:4:4:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{2|C<4>,5|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH){2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]N[6,6]H)	110.1645	0.015	2	109.7916	0.041	21	109.7916	0.041	21	109.6226	0.119	69	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:1:1:	4:4:4:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[3x6]-4:C[6,6]-4:S-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(N[6,6]C[3x6]S)(H)2	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(SC[6a]OO)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(N[6,6]C[3x6]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]N[6,6]H)	110.2485	0.016	2	110.2485	0.000	2	110.2485	0.000	2	109.6226	0.119	69	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:1:1:	4:4:4:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:P[3x6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(N[6,6]P[3x6]C)(H)2	N[6,6](C[6,6]C[3x6]HH)(P[3x6]N[6,6]2N)(CH3)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(N[6,6]P[3x6]C)(H)2{1|N<2>,2|N<3>,4|H<1>}	N[6,6](C[6,6]C[3x6]HH)(P[3x6]N[6,6]2N)(CH3){5|C<4>}	H(C[6,6]C[3x6]N[6,6]H)	109.2502	0.280	18	109.2502	0.078	18	109.2502	0.078	18	109.6226	0.119	69	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:1:1:	4:4:4:	4:	C[4,6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:S-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(N[6,6]C[6,6]S)(H)2	N[6,6](C[6,6]C[4,6,6]C[6a]H)(C[6,6]C[4,6,6]HH)(SC[6a]OO)	H(C[6,6]C[4,6,6]N[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(N[6,6]C[6,6]S)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[6,6](C[6,6]C[4,6,6]C[6a]H)(C[6,6]C[4,6,6]HH)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	H(C[6,6]C[4,6,6]N[6,6]H)	109.4995	0.008	2	109.4995	0.000	2	109.4995	0.000	2	109.6226	0.119	69	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(N[6,6]C[6]2)(H)2	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2	H(C[6,6]C[6,6]N[6,6]H)	C[6,6](C[6,6]C[6]N[6]H)(N[6,6]C[6]2)(H)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2{1|C<4>,1|N<3>,5|H<1>}	H(C[6,6]C[6,6]N[6,6]H)	109.5480	0.035	2	109.5480	0.001	2	109.5480	0.001	2	109.6226	0.119	69	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:1:1:	4:4:4:	4:	N[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6]2C)(N[6,6]C[6]2)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2	H(C[6,6]N[6,6]2H)	C[6,6](N[6,6]C[6]2C)(N[6,6]C[6]2)(H)2{2|N<3>,8|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2{5|C<4>}	H(C[6,6]N[6,6]2H)	109.4795	0.011	4	109.4795	0.000	4	109.7105	0.061	8	109.6226	0.119	69	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:1:1:	4:4:4:	4:	N[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6]2H)(N[6,6]C[6]2)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2	H(C[6,6]N[6,6]2H)	C[6,6](N[6,6]C[6]2H)(N[6,6]C[6]2)(H)2{2|N<3>,8|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2{1|H<1>,4|C<4>}	H(C[6,6]N[6,6]2H)	109.9415	0.025	4	109.9415	0.001	4	109.7105	0.061	8	109.6226	0.119	69	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:1:1:	4:4:4:	4:	P[3x6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:P[3x6]-4:C-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2B)(N[6,6]P[3x6]C)(H)2	N[6,6](C[6,6]P[3x6]HH)(P[3x6]N[6,6]2B)(CH3)	H(C[6,6]N[6,6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2B)(N[6,6]P[3x6]C)(H)2{1|B<4>,2|N<3>,4|H<1>}	N[6,6](C[6,6]P[3x6]HH)(P[3x6]N[6,6]2B)(CH3){1|B<4>,4|C<4>}	H(C[6,6]N[6,6]P[3x6]H)	109.2290	0.088	3	109.2290	0.008	3	109.2290	0.008	3	109.6226	0.119	69	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:1:1:	4:4:4:	4:	P[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](P[6,6]C[6]2Cu)(N[6,6]C[6]2)(H)2	N[6,6](C[6,6]P[6,6]HH)(C[6]N[6]HH)2	H(C[6,6]N[6,6]P[6,6]H)	C[6,6](P[6,6]C[6]2Cu)(N[6,6]C[6]2)(H)2{2|N<3>,8|H<1>}	N[6,6](C[6,6]P[6,6]HH)(C[6]N[6]HH)2{1|Cu<4>,2|C<3>,2|C<4>}	H(C[6,6]N[6,6]P[6,6]H)	109.5950	0.085	4	109.5950	0.007	4	109.8359	0.036	13	109.6226	0.119	69	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:1:1:	4:4:4:	4:	P[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](P[6,6]C[6]2Mo)(N[6,6]C[6]2)(H)2	N[6,6](C[6,6]P[6,6]HH)(C[6]N[6]HH)2	H(C[6,6]N[6,6]P[6,6]H)	C[6,6](P[6,6]C[6]2Mo)(N[6,6]C[6]2)(H)2{2|N<3>,8|H<1>}	N[6,6](C[6,6]P[6,6]HH)(C[6]N[6]HH)2{1|Mo<9>,2|C<3>,2|C<4>}	H(C[6,6]N[6,6]P[6,6]H)	109.8110	0.000	1	109.8110	0.000	1	109.8359	0.036	13	109.6226	0.119	69	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:1:1:	4:4:4:	4:	P[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](P[6,6]C[6]2Pt)(N[6,6]C[6]2)(H)2	N[6,6](C[6,6]P[6,6]HH)(C[6]N[6]HH)2	H(C[6,6]N[6,6]P[6,6]H)	C[6,6](P[6,6]C[6]2Pt)(N[6,6]C[6]2)(H)2{2|N<3>,8|H<1>}	N[6,6](C[6,6]P[6,6]HH)(C[6]N[6]HH)2{1|Pt<4>,2|C<3>,2|C<4>}	H(C[6,6]N[6,6]P[6,6]H)	109.9580	0.016	2	109.9580	0.000	2	109.8359	0.036	13	109.6226	0.119	69	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:1:1:	4:4:4:	4:	P[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](P[6,6]C[6]2Ru)(N[6,6]C[6]2)(H)2	N[6,6](C[6,6]P[6,6]HH)(C[6]N[6]HH)2	H(C[6,6]N[6,6]P[6,6]H)	C[6,6](P[6,6]C[6]2Ru)(N[6,6]C[6]2)(H)2{2|N<4>,8|H<1>}	N[6,6](C[6,6]P[6,6]HH)(C[6]N[6]HH)2{1|Ni<4>,1|Ru<8>,4|C<4>}	H(C[6,6]N[6,6]P[6,6]H)	109.8315	0.006	2	109.9600	0.011	6	109.8359	0.036	13	109.6226	0.119	69	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:1:1:	4:4:4:	4:	P[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](P[6,6]C[6]2Ru)(N[6,6]C[6]2)(H)2	N[6,6](C[6,6]P[6,6]HH)(C[6]N[6]HH)2	H(C[6,6]N[6,6]P[6,6]H)	C[6,6](P[6,6]C[6]2Ru)(N[6,6]C[6]2)(H)2{2|N<4>,8|H<1>}	N[6,6](C[6,6]P[6,6]HH)(C[6]N[6]HH)2{1|Ru<8>,1|Zn<4>,4|C<4>}	H(C[6,6]N[6,6]P[6,6]H)	110.0620	0.033	2	109.9600	0.011	6	109.8359	0.036	13	109.6226	0.119	69	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:1:1:	4:4:4:	4:	P[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](P[6,6]C[6]2Ru)(N[6,6]C[6]2)(H)2	N[6,6](C[6,6]P[6,6]HH)(C[6]N[6]HH)2	H(C[6,6]N[6,6]P[6,6]H)	C[6,6](P[6,6]C[6]2Ru)(N[6,6]C[6]2)(H)2{2|N<4>,8|H<1>}	N[6,6](C[6,6]P[6,6]HH)(C[6]N[6]HH)2{1|Ru<8>,1|Zn<6>,4|C<4>}	H(C[6,6]N[6,6]P[6,6]H)	109.9865	0.029	2	109.9600	0.011	6	109.8359	0.036	13	109.6226	0.119	69	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:1:1:	5:4:4:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	Nb[3x6]-5:C[6,6]-4:S-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]C)(N[6,6]Nb[3x6]S)(H)2	N[6,6](Nb[3x6]N[3x6]N[6,6]NO)(C[6,6]C[3x6]HH)(SC3)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(N[6,6]Nb[3x6]S)(H)2{1|C<3>,1|N<2>,1|O<2>,2|H<1>,2|N<3>}	N[6,6](Nb[3x6]N[3x6]N[6,6]NO)(C[6,6]C[3x6]HH)(SC3){1|Si<4>,2|C<3>,2|C<4>}	H(C[6,6]C[3x6]N[6,6]H)	106.6315	0.127	2	106.6315	0.016	2	106.6315	0.016	2	106.6000	0.011	4	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:1:1:	5:4:4:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	Nb[3x6]-5:C[6,6]-4:Si-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]C)(N[6,6]Nb[3x6]Si)(H)2	N[6,6](Nb[3x6]N[3x6]N[6,6]NO)(C[6,6]C[3x6]HH)(SiC3)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(N[6,6]Nb[3x6]Si)(H)2{1|C<3>,1|N<2>,1|O<2>,2|H<1>,2|N<3>}	N[6,6](Nb[3x6]N[3x6]N[6,6]NO)(C[6,6]C[3x6]HH)(SiC3){1|S<4>,2|C<3>,2|C<4>}	H(C[6,6]C[3x6]N[6,6]H)	106.5685	0.112	2	106.5685	0.013	2	106.5685	0.013	2	106.6000	0.011	4	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:1:1:	6:4:4:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	Nb[3x6]-6:C[6,6]-4:Si-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]C)(N[6,6]Nb[3x6]Si)(H)2	N[6,6](Nb[3x6]N[3x6]N[6,6]N[6]ClN)(C[6,6]C[3x6]HH)(SiC3)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(N[6,6]Nb[3x6]Si)(H)2{1|Cl<1>,1|C<3>,1|N<2>,2|H<1>,3|N<3>}	N[6,6](Nb[3x6]N[3x6]N[6,6]N[6]ClN)(C[6,6]C[3x6]HH)(SiC3){1|Si<4>,2|C<4>,4|C<3>}	H(C[6,6]C[3x6]N[6,6]H)	107.0960	0.394	4	107.0960	0.156	4	107.0960	0.156	4	107.0960	0.156	4	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:1:1:	7:4:4:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	Nb[3,3,3x6]-7:C[6,6]-4:Si-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]C)(N[6,6]Nb[3,3,3x6]Si)(H)2	N[6,6](Nb[3,3,3x6]N[3,6,6]C[3,3]N[3x6]N[3]ClN)(C[6,6]C[3x6]HH)(SiC3)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(N[6,6]Nb[3,3,3x6]Si)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,2|H<1>,3|N<3>}	N[6,6](Nb[3,3,3x6]N[3,6,6]C[3,3]N[3x6]N[3]ClN)(C[6,6]C[3x6]HH)(SiC3){1|O<2>,2|C<3>,3|C<4>}	H(C[6,6]C[3x6]N[6,6]H)	107.3600	0.104	7	107.3600	0.011	7	107.3600	0.011	7	107.3600	0.011	7	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:2:1:	3:4:4:	4:	C[6,6]-4:N[6,6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[6,6]O[6]H)(N[6,6]C[6,6a]C[6])(O[6]C[6])(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6]N[6,6]O[6])	C[6,6](C[6,6]N[6,6]O[6]H)(N[6,6]C[6,6a]C[6])(O[6]C[6])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[6]HH){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]N[6,6]O[6])	109.7150	0.062	2	109.7150	0.004	2	109.7150	0.004	2	109.7150	0.004	2	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:3:1:	3:4:3:	4:	C[6,6]-4:N[6,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]S[6]H)(N[6,6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6]C[6,6]O)	H(C[6,6]C[6,6]N[6,6]C[6a])	C[6,6](C[6,6]C[6,6]S[6]H)(N[6,6]C[6,6a]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,6|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6]C[6,6]O){1|S<2>,2|H<1>,6|C<3>}	H(C[6,6]C[6,6]N[6,6]C[6a])	106.1110	0.000	1	106.1110	0.000	1	106.1110	0.000	1	106.1110	0.000	1	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6,6]H)(C[6]N[5,6]O)(H)	N[6,6](C[6,6]C[5a,6]C[5,6]Cl)(C[6,6]C[6]2H)(H)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6,6]H)(C[6]N[5,6]O)(H){1|Cl<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6]C[5a,6]C[5,6]Cl)(C[6,6]C[6]2H)(H){1|C<3>,1|C<4>,1|O<1>,2|N<3>,3|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.2090	0.000	1	107.2090	0.000	1	107.2090	0.000	1	107.2090	0.000	1	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:3:1:	4:4:3:	4:	C[3x6]-4:N[6,6]-3:C[6a]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(N[6,6]C[3x6]C[6a])(C[6a]C[6a]2)(H)	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C[6a]H)(C[6a]C[6a]2)	H(C[6,6]C[3x6]N[6,6]C[6a])	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(N[6,6]C[3x6]C[6a])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C[6a]H)(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	H(C[6,6]C[3x6]N[6,6]C[6a])	107.3870	0.000	1	107.3870	0.000	1	107.3870	0.000	1	107.3870	0.000	1	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:3:1:	4:4:4:	4:	C[3x6]-4:N[6,6]-3:C[6a]-3:H-1:	C[3x6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)(H)	N[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C[6a]H)(CH3)	H(C[6,6]C[3x6]N[6,6]C[6a])	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	N[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C[6a]H)(CH3){1|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[3x6]N[6,6]C[6a])	107.9630	0.000	1	107.9630	0.000	1	107.9630	0.000	1	107.4968	0.717	12	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:3:1:	4:4:4:	4:	C[3x6]-4:N[6,6]-3:C[6a]-3:H-1:	C[6,6]-4:C[3x6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)(H)	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2C)(CH3)	H(C[6,6]C[3x6]N[6,6]C[6a])	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)(H){1|C<2>,2|C<4>,3|C<3>,4|H<1>}	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2C)(CH3){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[3x6]N[6,6]C[6a])	108.0130	0.000	1	108.0130	0.000	1	107.6635	0.244	2	107.4968	0.717	12	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:3:1:	4:4:4:	4:	C[3x6]-4:N[6,6]-3:C[6a]-3:H-1:	C[6,6]-4:C[3x6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)(H)	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(CC[6a]HH)	H(C[6,6]C[3x6]N[6,6]C[6a])	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[3x6]N[6,6]C[6a])	107.3140	0.000	1	107.3140	0.000	1	107.6635	0.244	2	107.4968	0.717	12	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:3:1:	4:4:4:	4:	C[3x6]-4:N[6,6]-3:C[6a]-3:H-1:	C[6,6]-4:C[3x6]-4:S-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]S)(C[6a]C[6a]2)(H)	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(SC[6a]OO)	H(C[6,6]C[3x6]N[6,6]C[6a])	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]S)(C[6a]C[6a]2)(H){1|C<4>,3|C<3>,6|H<1>}	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(SC[6a]OO){1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[3x6]N[6,6]C[6a])	108.4910	0.000	1	108.4910	0.000	1	108.4910	0.000	1	107.4968	0.717	12	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:3:1:	4:4:4:	4:	C[4,6,6]-4:N[6,6]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-4:S-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2C)(N[6,6]C[6,6]S)(C[6a]C[6a]2)(H)	N[6,6](C[6,6]C[4,6,6]C[6a]H)(C[6,6]C[4,6,6]HH)(SC[6a]OO)	H(C[6,6]C[4,6,6]N[6,6]C[6a])	C[6,6](C[4,6,6]C[4,6]2C)(N[6,6]C[6,6]S)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	N[6,6](C[6,6]C[4,6,6]C[6a]H)(C[6,6]C[4,6,6]HH)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	H(C[6,6]C[4,6,6]N[6,6]C[6a])	107.1530	0.000	1	107.1530	0.000	1	107.1530	0.000	1	107.4968	0.717	12	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:3:1:	4:4:4:	4:	C[5,5,6,6]-4:C[5a]-3:N[6,6]-3:H-1:	C[6,6]-4:P[3,6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[5,5,6,6]C[5,5,6,6]2C)(C[5a]C[5a]O[5a])(N[6,6]P[3,6,6]C)(H)	N[6,6](C[6,6]C[5,5,6,6]C[5a]H)(P[3,6,6]C[3,5,6,6]2W)(CH3)	H(C[6,6]C[5,5,6,6]N[6,6]C[5a])	C[6,6](C[5,5,6,6]C[5,5,6,6]2C)(C[5a]C[5a]O[5a])(N[6,6]P[3,6,6]C)(H){1|H<1>,1|W<6>,4|C<3>,4|C<4>}	N[6,6](C[6,6]C[5,5,6,6]C[5a]H)(P[3,6,6]C[3,5,6,6]2W)(CH3){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6,6]C[5,5,6,6]N[6,6]C[5a])	105.6530	0.000	1	105.6530	0.000	1	105.6530	0.000	1	107.4968	0.717	12	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:3:1:	4:4:4:	4:	C[5,6]-4:C[5,6]-3:N[6,6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]N[5])(N[6,6]C[6]2)(H)	N[6,6](C[6,6]C[5,6]2H)(C[6]C[6]HH)2	H(C[6,6]C[5,6]2N[6,6])	C[6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]N[5])(N[6,6]C[6]2)(H){2|O<2>,5|C<4>,5|H<1>}	N[6,6](C[6,6]C[5,6]2H)(C[6]C[6]HH)2{1|N<2>,2|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[5,6]2N[6,6])	108.5160	0.000	1	108.5160	0.000	1	108.5160	0.000	1	107.4968	0.717	12	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:3:1:	4:4:4:	4:	C[5,6]-4:C[6,6a]-3:N[6,6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H)	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)	H(C[6,6]C[6,6a]C[5,6]N[6,6])	C[6,6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H){1|O<1>,3|C<4>,4|C<3>,7|H<1>}	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[5,6]HH)(C[6]C[6]HH){2|H<1>,3|C<4>,4|C<3>}	H(C[6,6]C[6,6a]C[5,6]N[6,6])	106.8140	0.117	2	106.8140	0.014	2	106.8140	0.014	2	107.4968	0.717	12	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:3:1:	4:4:4:	4:	C[6,6]-4:C[6a]-3:N[6,6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6a]C[6a]2)(N[6,6]C[6]2)(H)	N[6,6](C[6,6]C[6,6]C[6a]H)(C[6]C[6]HH)(C[6]N[6]HH)	H(C[6,6]C[6,6]N[6,6]C[6a])	C[6,6](C[6,6]C[6]O[6]H)(C[6a]C[6a]2)(N[6,6]C[6]2)(H){1|N<3>,3|C<3>,7|H<1>}	N[6,6](C[6,6]C[6,6]C[6a]H)(C[6]C[6]HH)(C[6]N[6]HH){1|O<2>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]N[6,6]C[6a])	107.0680	0.000	1	107.0680	0.000	1	107.0680	0.000	1	107.4968	0.717	12	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:3:1:	4:4:4:	4:	C[6]-4:N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(C[6]C[6]O)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(CCCH)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(C[6]C[6]O)(H){1|C<4>,2|C<3>,3|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(CCCH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.0815	0.091	2	108.0815	0.008	2	108.0815	0.008	2	107.4968	0.717	12	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:4:1:	4:2:2:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:O[6]-2:O[6]-2:	C[6,6]-4:	C[6,6](C[6]C[6,6]C[6a]H)(N[6,6]O[6]2)(C[6]C[6]CC)(H)	N[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(O[6]C[6])	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6,6]C[6a]H)(N[6,6]O[6]2)(C[6]C[6]CC)(H){2|C<3>,3|C<4>,3|H<1>}	N[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(O[6]C[6]){3|C<4>,3|H<1>,4|C<3>}	H(C[6,6]N[6,6]C[6]2)	108.9040	0.000	1	108.9040	0.000	1	107.3418	2.412	6	107.3418	2.412	6	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:4:1:	4:2:2:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:O[6]-2:O[6]-2:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(N[6,6]O[6]2)(C[6]C[6]CC)(H)	N[6,6](C[6,6]C[6]2H)(O[6]C[6])2	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(N[6,6]O[6]2)(C[6]C[6]CC)(H){2|C<3>,2|C<4>,4|H<1>}	N[6,6](C[6,6]C[6]2H)(O[6]C[6])2{2|C<4>,3|H<1>,5|C<3>}	H(C[6,6]N[6,6]C[6]2)	107.0190	1.528	3	107.0294	2.283	5	107.3418	2.412	6	107.3418	2.412	6	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:4:1:	4:2:2:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:O[6]-2:O[6]-2:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(N[6,6]O[6]2)(C[6]C[6]CC)(H)	N[6,6](C[6,6]C[6]2H)(O[6]C[6])2	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(N[6,6]O[6]2)(C[6]C[6]CC)(H){2|C<3>,2|C<4>,4|H<1>}	N[6,6](C[6,6]C[6]2H)(O[6]C[6])2{2|H<1>,4|C<3>,4|C<4>}	H(C[6,6]N[6,6]C[6]2)	108.5380	0.000	1	107.0294	2.283	5	107.3418	2.412	6	107.3418	2.412	6	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:4:1:	4:2:2:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:O[6]-2:O[6]-2:	C[6,6]-4:	C[6,6](C[6]C[6a]C[6]H)(N[6,6]O[6]2)(C[6]C[6]CC)(H)	N[6,6](C[6,6]C[6]2H)(O[6]C[6])2	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6a]C[6]H)(N[6,6]O[6]2)(C[6]C[6]CC)(H){2|C<3>,2|C<4>,4|H<1>}	N[6,6](C[6,6]C[6]2H)(O[6]C[6])2{3|C<4>,3|H<1>,4|C<3>}	H(C[6,6]N[6,6]C[6]2)	105.5520	0.000	1	107.0294	2.283	5	107.3418	2.412	6	107.3418	2.412	6	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|N<4>,1|O<1>,2|C<4>,6|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	108.6960	0.000	1	108.6960	0.000	1	108.6960	0.000	1	108.0235	0.905	2	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(C[6]O[6]HH)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2H)(COO)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,2|C<3>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2H)(COO){1|O<2>,1|S<2>,2|C<3>,5|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.3510	0.000	1	107.3510	0.000	1	107.3510	0.000	1	108.0235	0.905	2	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:4:1:	4:4:4:	4:	C[3x6]-4:N[6,6]-3:C-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(N[6,6]C[3x6]C)(CC[6a]HH)(H)	N[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CH)(CH3)	H(C[6,6]C[3x6]N[6,6]C)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(N[6,6]C[3x6]C)(CC[6a]HH)(H){2|C<3>,2|C<4>,2|H<1>}	N[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]CH)(CH3){1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]N[6,6]C)	108.3593	0.280	4	108.3593	0.078	4	108.1489	0.179	7	107.9815	2.736	44	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:4:1:	4:4:4:	4:	C[3x6]-4:N[6,6]-3:C-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]C)(CC[5a]HH)(H)	N[6,6](C[3x6]C[3,6,6]O[6,6]H)(C[6,6]C[3x6]CH)(CH3)	H(C[6,6]C[3x6]N[6,6]C)	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]C)(CC[5a]HH)(H){1|O<2>,2|C<4>,4|H<1>}	N[6,6](C[3x6]C[3,6,6]O[6,6]H)(C[6,6]C[3x6]CH)(CH3){1|C<3>,1|O<2>,3|C<4>}	H(C[6,6]C[3x6]N[6,6]C)	107.6215	0.243	2	107.6215	0.059	2	108.1489	0.179	7	107.9815	2.736	44	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:4:1:	4:4:4:	4:	C[3x6]-4:N[6,6]-3:C-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(CCHH)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CCHH)	H(C[6,6]C[3x6]N[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(CCHH)(H){2|C<4>,5|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CCHH){2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]N[6,6]C)	108.3620	0.000	1	108.3620	0.000	1	108.1489	0.179	7	107.9815	2.736	44	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:4:1:	4:4:4:	4:	C[3x6]-4:N[6,6]-3:C-4:H-1:	C[3x6]-4:C[6,6]-4:S-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]S)(CC[6a]HH)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(SC[6a]OO)	H(C[6,6]C[3x6]N[6,6]C)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]S)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(SC[6a]OO){1|C<3>,1|C<4>,4|H<1>}	H(C[6,6]C[3x6]N[6,6]C)	109.0960	0.000	1	109.0960	0.000	1	109.0960	0.000	1	107.9815	2.736	44	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:4:1:	4:4:4:	4:	C[5,6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]O[5]C)(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6,6a]HH)	H(C[6,6]C[5,6,6]N[6,6]C[6])	C[6,6](C[5,6,6]C[5,6,6]O[5]C)(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	N[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6,6a]HH){1|Si<4>,1|O<2>,2|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]N[6,6]C[6])	107.0680	0.000	1	107.0680	0.000	1	107.0680	0.000	1	107.9815	2.736	44	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:4:1:	4:4:4:	4:	C[5,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6,6]C[5]Si)(N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)	N[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6,6a]HH)	H(C[6,6]C[5,6]N[6,6]C[6])	C[6,6](C[5,6]C[5,6,6]C[5]Si)(N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	N[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6,6a]HH){1|Si<4>,1|O<2>,2|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[5,6]N[6,6]C[6])	108.7170	0.000	1	108.7170	0.000	1	108.7170	0.000	1	107.9815	2.736	44	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:4:1:	4:4:4:	4:	C[5,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH)	H(C[6,6]C[5,6]N[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,8|H<1>}	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH){4|C<4>,6|H<1>}	H(C[6,6]C[5,6]N[6,6]C[6])	106.8010	0.000	1	106.8010	0.000	1	107.0685	0.143	2	107.9815	2.736	44	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:4:1:	4:4:4:	4:	C[5,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)	H(C[6,6]C[5,6]N[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,9|H<1>}	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH){4|C<4>,6|H<1>}	H(C[6,6]C[5,6]N[6,6]C[6])	107.3360	0.000	1	107.3360	0.000	1	107.0685	0.143	2	107.9815	2.736	44	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:4:1:	4:4:4:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){2|N<3>,3|C<4>,8|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]N[3x6]C[6]H)(C[6]C[6]HH){5|C<4>,7|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	108.4200	0.328	2	108.4200	0.108	2	108.4200	0.108	2	107.9815	2.736	44	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:4:1:	4:4:4:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[3x6]HH)(C[6]C[6]HH)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,9|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[3x6]HH)(C[6]C[6]HH){5|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	107.5435	0.093	2	107.5435	0.009	2	107.3978	7.426	13	107.9815	2.736	44	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:4:1:	4:4:4:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]CC)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<2>,1|N<3>,3|C<4>,8|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]CC){4|C<4>,6|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	109.7630	0.000	1	109.7630	0.000	1	107.3978	7.426	13	107.9815	2.736	44	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:4:1:	4:4:4:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){10|H<1>,1|N<3>,2|C<4>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	107.9960	0.000	1	107.4404	9.276	9	107.3978	7.426	13	107.9815	2.736	44	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:4:1:	4:4:4:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){10|H<1>,1|N<3>,2|C<4>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){4|C<4>,6|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	112.5620	0.000	1	107.4404	9.276	9	107.3978	7.426	13	107.9815	2.736	44	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:4:1:	4:4:4:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){10|H<1>,1|N<4>,2|C<4>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){4|C<4>,6|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	107.6237	0.556	6	107.4404	9.276	9	107.3978	7.426	13	107.9815	2.736	44	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:4:1:	4:4:4:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,9|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	100.6640	0.000	1	107.4404	9.276	9	107.3978	7.426	13	107.9815	2.736	44	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:4:1:	4:4:4:	4:	C[6,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]S[6]2)(N[6,6]C[6]2)(C[6]C[6]CH)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6]S[6]2)(N[6,6]C[6]2)(C[6]C[6]CH)(H){4|C<4>,8|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2{1|C<2>,2|C<4>,2|S<2>,5|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	104.3570	0.000	1	104.3570	0.000	1	107.3978	7.426	13	107.9815	2.736	44	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(C[6]C[6]CH)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(CC[6a]HH)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(CC[6a]HH){1|C<2>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6,6]N[6,6]C[6]2)	106.9020	0.000	2	106.9020	0.000	2	107.0930	0.109	3	107.9815	2.736	44	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(C[6]N[6,6]HO)(H)	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]2H)(CH3)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(C[6]N[6,6]HO)(H){1|H<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]2H)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.4750	0.000	1	107.4750	0.000	1	107.0930	0.109	3	107.9815	2.736	44	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6]C[5,6]CO)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[5,6]CO)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,7|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH){2|O<2>,3|C<4>,5|H<1>}	H(C[6,6]N[6,6]C[6]2)	106.7930	0.000	1	106.7930	0.000	1	108.4877	0.811	11	107.9815	2.736	44	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6]C[5,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[5,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,4|C<4>,5|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH){1|O<2>,3|C<4>,6|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.8500	0.000	1	109.3200	0.102	4	108.4877	0.811	11	107.9815	2.736	44	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6]C[5,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[5,6]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|O<2>,4|C<4>,4|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH){1|N<3>,3|C<4>,6|H<1>}	H(C[6,6]N[6,6]C[6]2)	109.4767	0.079	3	109.3200	0.102	4	108.4877	0.811	11	107.9815	2.736	44	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6]C[5,6]HO)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[5,6]HO)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,7|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH){2|C<4>,2|O<2>,6|H<1>}	H(C[6,6]N[6,6]C[6]2)	107.9410	0.000	1	107.9410	0.000	1	108.4877	0.811	11	107.9815	2.736	44	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6]C[6,6]CO)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6,6]CO)(N[6,6]C[6]2)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|O<2>,4|H<1>,5|C<4>}	H(C[6,6]N[6,6]C[6]2)	108.3297	0.595	3	108.3297	0.355	3	108.4877	0.811	11	107.9815	2.736	44	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6]N[6,6]HH)(N[6,6]C[6]2)(C[6]C[6]HO)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]N[6,6]HH)(N[6,6]C[6]2)(C[6]C[6]HO)(H){1|O<2>,3|C<4>,5|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|N<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.1810	0.943	2	108.1810	0.890	2	108.4877	0.811	11	107.9815	2.736	44	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H)	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	H(C[6,6]N[6,6]C[6]2)	108.9560	0.170	2	108.9560	0.029	2	109.1573	0.136	3	107.9815	2.736	44	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6]2)(C[6]C[6]HN)(H)	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	H(C[6,6]N[6,6]C[6]2)	C[6,6](C[6]C[6,6a]HH)(N[6,6]C[6]2)(C[6]C[6]HN)(H){1|C<4>,3|C<3>,5|H<1>}	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]N[6,6]C[6]2)	109.5600	0.000	1	109.5600	0.000	1	109.1573	0.136	3	107.9815	2.736	44	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:4:3:1:	4:4:1:	4:	C[5,6]-4:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(N[6,6]C[6,6]H)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[5,6]C[6]H)(H)	H(C[6,6]C[5,6]N[6,6]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(N[6,6]C[6,6]H)(H){2|C<3>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[5,6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[5,6]N[6,6]C[6])	106.1740	0.000	1	106.1740	0.000	1	106.1740	0.000	1	106.1740	0.000	1	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:4:3:1:	4:4:4:	4:	C[6,6]-4:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6,6]C[6]H)(CH3)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6,6]C[6]H)(CH3){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	106.9240	0.000	1	106.9693	0.004	3	106.9693	0.004	3	106.8303	0.080	4	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:4:3:1:	4:4:4:	4:	C[6,6]-4:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6,6]C[6]H)(CH3)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(N[6,6]C[6,6]C)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6,6]C[6]H)(CH3){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	106.9920	0.075	2	106.9693	0.004	3	106.9693	0.004	3	106.8303	0.080	4	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6,6]	H	4:4:3:1:	4:4:4:	4:	C[6,6]-4:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HS)(N[6,6]C[6]2)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(C[6]C[6,6]HO)	H(C[6,6]C[6,6]N[6,6]C[6])	C[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HS)(N[6,6]C[6]2)(H){1|O<2>,2|H<1>,3|C<4>,4|C<3>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(C[6]C[6,6]HO){1|C<4>,1|N<3>,1|S<2>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6])	106.4130	0.000	1	106.4130	0.000	1	106.4130	0.000	1	106.8303	0.080	4	108.5311	1.507	576	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	3:2:3:1:	4:3:3:	4:	C[6,6a]-3:O[6,6]-2:N[6]-3:H-1:	C[6,6]-4:C[6]-3:N-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(N[6]C[6]N)(H)	N[6](C[6,6]C[6,6a]O[6,6]H)(C[6]C[6a]C[6])(NCH)	H(C[6,6]C[6,6a]O[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(N[6]C[6]N)(H){1|H<1>,1|O<2>,5|C<3>}	N[6](C[6,6]C[6,6a]O[6,6]H)(C[6]C[6a]C[6])(NCH){1|C<4>,1|H<1>,4|C<3>}	H(C[6,6]C[6,6a]O[6,6]N[6])	107.9290	0.000	1	107.9290	0.000	1	107.9290	0.000	1	107.9290	0.000	1	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(N[6]C[6,6a]H)(H)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)	H(C[6,6]C[6,6a]N[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(N[6]C[6,6a]H)(H){1|N<3>,2|H<1>,4|C<3>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,2|C<4>,4|C<3>}	H(C[6,6]C[6,6a]N[6,6]N[6])	108.1707	0.240	3	108.1707	0.058	3	108.1707	0.058	3	108.1707	0.058	3	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:N[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6a]2)(N[6]C[6a]C[6])(C[6]C[6]C)(H)	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)	H(C[6,6]C[6,6,6a]C[6]N[6])	C[6,6](C[6,6,6a]C[6,6a]2)(N[6]C[6a]C[6])(C[6]C[6]C)(H){1|O<2>,7|C<3>}	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6a]C[6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	H(C[6,6]C[6,6,6a]C[6]N[6])	106.7460	0.000	1	106.7460	0.000	1	106.7460	0.000	1	107.5157	0.473	3	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6]-4:N[6]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]N[6])(H)	N[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6,6]C[6])(C[6]C[6,6a]O)	H(C[6,6]C[6,6a]N[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]N[6])(H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	N[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6,6]C[6])(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	H(C[6,6]C[6,6a]N[6,6]N[6])	107.9005	0.238	2	107.9005	0.057	2	107.9005	0.057	2	107.5157	0.473	3	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	3:3:3:1:	4:4:1:	4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6]-4:S[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]S[6]H)(H)	N[6](C[6,6]C[6,6a]N[6,6]H)(S[6]C[6,6a]OO)(H)	H(C[6,6]C[6,6a]N[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]S[6]H)(H){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	N[6](C[6,6]C[6,6a]N[6,6]H)(S[6]C[6,6a]OO)(H){1|C<4>,4|C<3>}	H(C[6,6]C[6,6a]N[6,6]N[6])	106.4840	0.000	1	106.4840	0.000	1	106.4840	0.000	1	106.4840	0.000	1	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	3:3:3:1:	4:4:3:	4:	C[6,6a]-3:C[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-4:S-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(N[6]C[6]S)(H)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(SCO)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(N[6]C[6]S)(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(SCO){1|C<4>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]N[6])	107.2965	0.207	2	107.2965	0.043	2	107.2965	0.043	2	107.3400	0.027	3	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	3:3:3:1:	4:4:3:	4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6a]C[6])(H)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2)	H(C[6,6]C[6,6a]N[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6a]C[6])(H){1|C<4>,5|H<1>,6|C<3>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	H(C[6,6]C[6,6a]N[6,6]N[6])	107.4270	0.000	1	107.4270	0.000	1	107.4270	0.000	1	107.3400	0.027	3	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(H)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)(CC[6a]HH)	H(C[6,6]C[6,6a]N[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(H){1|C<4>,4|C<3>,5|H<1>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)(CC[6a]HH){1|C<4>,4|C<3>}	H(C[6,6]C[6,6a]N[6,6]N[6])	107.5900	0.000	1	107.5900	0.000	1	107.5900	0.000	1	107.8010	0.037	3	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-4:S-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(N[6]C[6]S)(H)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6,6]C[6,6a]N[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(N[6]C[6]S)(H){2|C<4>,3|C<3>,5|H<1>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6,6]C[6,6a]N[6,6]N[6])	107.9065	0.083	2	107.9065	0.007	2	107.9065	0.007	2	107.8010	0.037	3	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	3:3:4:1:	4:3:1:	4:	N[6,6]-3:N[6]-3:C[6]-4:H-1:	C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]N[6])(N[6]N[6,6]H)(C[6]O[6]HH)(H)	N[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)	H(C[6,6]N[6,6]C[6]N[6])	C[6,6](N[6,6]C[6]N[6])(N[6]N[6,6]H)(C[6]O[6]HH)(H){3|C<4>,3|H<1>}	N[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H){1|N<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6,6]N[6,6]C[6]N[6])	109.2350	0.098	4	109.2350	0.010	4	109.2350	0.010	4	109.2350	0.010	4	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	3:3:4:1:	4:3:2:	4:	C[6,6]-3:N[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:O[6]-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6a]O[6])(C[6]O[6]HH)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6])	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6a]O[6])(C[6]O[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6]){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	106.0840	0.000	1	106.0840	0.000	1	106.0840	0.000	1	106.0840	0.000	1	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	3:4:2:1:	4:4:3:	4:	N[6]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2H)(O[6]C[5,6])(H)	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2H)(O[6]C[5,6])(H){1|C<4>,3|H<1>,7|C<3>}	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(C[6a]C[6a]2){2|C<4>,3|H<1>,7|C<3>}	H(C[6,6]C[6,6]N[6]O[6])	107.9240	0.000	1	107.9240	0.000	1	107.9240	0.000	1	107.9240	0.000	1	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	3:4:3:1:	4:3:1:	4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]C[6,6a]H)(H)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]C[6,6a]H)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H){2|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]N[6])	106.5870	0.000	1	107.9165	3.535	2	107.9165	3.535	2	108.1373	1.793	6	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	3:4:3:1:	4:3:1:	4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]C[6,6a]H)(H)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]C[6,6a]H)(H){1|O<2>,4|H<1>,5|C<3>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6,6]C[6,6a]C[6,6]N[6])	109.2460	0.000	1	107.9165	3.535	2	107.9165	3.535	2	108.1373	1.793	6	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	3:4:3:1:	4:3:1:	4:	N[3x6]-3:C[6]-4:N[6]-3:H-1:	C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]N[3x6])(C[6]C[6]HH)(N[6]N[6]H)(H)	N[6](C[6,6]N[3x6]C[6]H)(N[6]C[6,6]H)(H)	H(C[6,6]N[3x6]C[6]N[6])	C[6,6](N[3x6]C[6,6]N[3x6])(C[6]C[6]HH)(N[6]N[6]H)(H){1|N<3>,3|C<4>,4|H<1>}	N[6](C[6,6]N[3x6]C[6]H)(N[6]C[6,6]H)(H){1|N<3>,3|C<4>,3|H<1>}	H(C[6,6]N[3x6]C[6]N[6])	108.2477	1.327	4	108.2477	1.760	4	108.2477	1.760	4	108.1373	1.793	6	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6a]C[6])(H)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6a]C[6])(H){1|O<2>,3|H<1>,5|C<3>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|Br<1>,2|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]N[6])	109.5070	0.000	1	109.5070	0.000	1	109.5070	0.000	1	109.5070	0.000	1	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[3x6]HH)(N[6]C[6]H)(H)	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6,6]HH)(H)	H(C[6,6]C[5a,6]C[6,6]N[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[3x6]HH)(N[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6,6]HH)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6,6]C[5a,6]C[6,6]N[6])	109.1960	0.000	1	109.1960	0.000	1	107.8150	5.713	3	107.8888	2.870	5	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6]2C)(N[6]C[6]H)(H)	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[5a,6]C[6,6]N[6])	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6]2C)(N[6]C[6]H)(H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[5a,6]C[6,6]N[6])	107.1245	2.927	2	107.1245	8.566	2	107.8150	5.713	3	107.8888	2.870	5	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(N[6]C[6]H)(H)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(H)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(N[6]C[6]H)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]N[6])	108.0850	0.000	1	108.0850	0.000	1	108.0850	0.000	1	107.8888	2.870	5	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	3:4:3:1:	4:4:1:	4:	N[6,6]-3:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)	H(C[6,6]N[6,6]C[6]N[6])	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<1>,3|C<4>,5|H<1>}	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]N[6,6]C[6]N[6])	107.9140	0.000	1	107.9140	0.000	1	107.9140	0.000	1	107.8888	2.870	5	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	3:4:3:1:	4:4:2:	4:	C[5a,6,6]-3:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)(N[6]C[6]O)(H)	N[6](C[6,6]C[5a,6,6]C[6]H)(C[6]C[6]CC)(OC)	H(C[6,6]C[5a,6,6]C[6]N[6])	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)(N[6]C[6]O)(H){2|H<1>,3|C<3>,3|C<4>}	N[6](C[6,6]C[5a,6,6]C[6]H)(C[6]C[6]CC)(OC){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6,6]C[5a,6,6]C[6]N[6])	109.6690	0.000	1	109.6690	0.000	1	109.6690	0.000	1	109.6690	0.000	1	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6,6]-3:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:N-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(N[6]C[6]N)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(NCH)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(N[6]C[6]N)(H){1|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(NCH){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	109.4340	0.000	1	109.4340	0.000	1	109.4340	0.000	1	109.4340	0.000	1	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[3x6]-3:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6])(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[3x6]C[6])(C[6]C[6,6a]HH)(N[6]C[6]C)(H){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6]N[6])	108.1260	0.000	1	108.1260	0.000	1	107.9175	0.087	2	108.3301	1.080	24	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[3x6]-3:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]C[6])(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[5,3x6]C[6])(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6]N[6])	107.7090	0.000	1	107.7090	0.000	1	107.9175	0.087	2	108.3301	1.080	24	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[5a,6,6]-3:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6,6]C[5a,6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)	H(C[6,6]C[5a,6,6]C[6]N[6])	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6]C[5a,6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6,6]C[5a,6,6]C[6]N[6])	109.0820	0.000	1	109.0820	0.000	1	109.0820	0.000	1	108.3301	1.080	24	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[5a,6]-3:C[3x6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[3x6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6,6]C[5a,6]C[3x6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[5a,6]C[3x6]N[6])	C[6,6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[3x6]C[6]H)(N[6]C[6]C)(H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	N[6](C[6,6]C[5a,6]C[3x6]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[5a,6]C[3x6]N[6])	106.4385	0.641	2	106.4385	0.411	2	106.4385	0.411	2	108.3301	1.080	24	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H)	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(CC[6a]HH)	H(C[6,6]C[5a,6]C[6,6]N[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(CC[6a]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[5a,6]C[6,6]N[6])	106.5600	0.000	1	107.9355	3.784	2	107.9355	3.784	2	108.3301	1.080	24	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H)	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(CC[6a]HH)	H(C[6,6]C[5a,6]C[6,6]N[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,3|H<1>}	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6,6]C[5a,6]C[6,6]N[6])	109.3110	0.000	1	107.9355	3.784	2	107.9355	3.784	2	108.3301	1.080	24	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:S-4:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]S)(H)	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6,6]C[5a,6]C[6,6]N[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]S)(H){1|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6,6]C[5a,6]C[6,6]N[6])	110.0380	0.000	1	109.9750	0.008	2	109.9750	0.008	2	108.3301	1.080	24	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:S-4:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]S)(H)	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6,6]C[5a,6]C[6,6]N[6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]HH)(N[6]C[6]S)(H){1|S<4>,3|H<1>,4|C<3>}	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6,6]C[5a,6]C[6,6]N[6])	109.9120	0.000	1	109.9750	0.008	2	109.9750	0.008	2	108.3301	1.080	24	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6,6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6,6a]C[6]N[6])	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CH3){3|C<3>,4|H<1>}	H(C[6,6]C[6,6,6a]C[6]N[6])	108.2145	0.155	2	108.2145	0.024	2	108.2145	0.024	2	108.3301	1.080	24	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6,6]-3:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a,6]HH)(N[6]C[6]C)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a,6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.4410	0.000	1	107.4347	0.083	3	107.5853	0.146	4	108.3301	1.080	24	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6,6]-3:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a,6]HH)(N[6]C[6]C)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a,6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){3|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]N[6])	107.4315	0.408	2	107.4347	0.083	3	107.5853	0.146	4	108.3301	1.080	24	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6,6]-3:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CC[6a]HH)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<3>,2|C<4>,5|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CC[6a]HH){2|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]N[6])	108.0370	0.000	1	108.0370	0.000	1	107.5853	0.146	4	108.3301	1.080	24	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]C)(N[6]C[6]C)(H)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]CH)(CH3)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]C)(N[6]C[6]C)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]CH)(CH3){2|C<4>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]N[6])	108.0590	0.000	1	108.0590	0.000	1	108.7390	0.925	2	108.3301	1.080	24	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]C)(N[6]C[6]C)(H)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(CH3)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(CH3){1|C<4>,5|C<3>}	H(C[6,6]C[6,6a]C[6,6]N[6])	109.4190	0.000	1	109.4190	0.000	1	108.7390	0.925	2	108.3301	1.080	24	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	3:4:3:1:	4:4:4:	4:	N[5a,6]-3:C[3x6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[3x6]C[6]H)(N[6]C[6]C)(H)	N[6](C[6,6]N[5a,6]C[3x6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]N[5a,6]C[3x6]N[6])	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[3x6]C[6]H)(N[6]C[6]C)(H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	N[6](C[6,6]N[5a,6]C[3x6]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]N[5a,6]C[3x6]N[6])	108.7820	0.044	2	108.7820	0.002	2	108.7820	0.002	2	108.3301	1.080	24	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	3:4:3:1:	4:4:4:	4:	N[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H)	N[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]N[5a,6]C[6,6]N[6])	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]HH)(N[6]C[6]C)(H){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]HH)(CH3){1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]N[5a,6]C[6,6]N[6])	108.5970	0.104	3	108.5970	0.011	3	108.5970	0.011	3	108.3301	1.080	24	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	3:4:3:1:	4:4:4:	4:	N[5a,6]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:S-4:	C[6,6]-4:	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]CH)(N[6]C[6]S)(H)	N[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6,6]N[5a,6]C[6,6]N[6])	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]CH)(N[6]C[6]S)(H){2|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]HH)(SC[6a]OO){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]N[5a,6]C[6,6]N[6])	109.3525	0.260	2	109.3525	0.067	2	109.3525	0.067	2	108.3301	1.080	24	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:2:3:1:	4:3:4:	4:	C[6,6]-4:O[6]-2:N[6]-3:H-1:	C[6,6]-4:C[6]-3:S-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(N[6]C[6]S)(H)	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(SC[6a]OO)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6a])(N[6]C[6]S)(H){3|H<1>,5|C<3>}	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(SC[6a]OO){1|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]N[6]O[6])	109.2270	0.000	1	109.2270	0.000	1	109.2270	0.000	1	109.2270	0.000	1	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:2:3:1:	4:4:4:	4:	C[6,6]-4:O[6]-2:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[5,6])(N[6]C[6]C)(H)	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(CC[6a]HH)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]C[6]2H)(O[6]C[5,6])(N[6]C[6]C)(H){1|C<4>,3|H<1>,5|C<3>}	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(CC[6a]HH){1|H<1>,2|C<4>,5|C<3>}	H(C[6,6]C[6,6]N[6]O[6])	107.8230	0.269	2	107.8230	0.072	2	108.1685	0.199	4	108.1685	0.199	4	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:2:3:1:	4:4:4:	4:	C[6,6]-4:O[6]-2:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(N[6]C[6]C)(H)	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CC[6a]HH)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(N[6]C[6]C)(H){2|C<3>,2|C<4>,5|H<1>}	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[6]O[6])	108.6660	0.000	1	108.5140	0.046	2	108.1685	0.199	4	108.1685	0.199	4	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:2:3:1:	4:4:4:	4:	C[6,6]-4:O[6]-2:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(N[6]C[6]C)(H)	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CC[6a]HH)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]C[6]2H)(O[6]C[6,6])(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[6]O[6])	108.3620	0.000	1	108.5140	0.046	2	108.1685	0.199	4	108.1685	0.199	4	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:3:2:1:	3:4:1:	4:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6]O[6]C)(N[6]C[6,6a]H)(O[6]C[6,6a])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]N[6]O[6]C)(N[6]C[6,6a]H)(O[6]C[6,6a])(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	H(C[6,6]C[6,6]N[6]O[6])	108.6810	0.000	1	108.6810	0.000	1	108.6810	0.000	1	108.6810	0.000	1	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:3:2:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6]-4:C[6]-4:S-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(N[6]C[6]S)(O[6]C[6])(H)	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6,6]C[6,6]N[6]O[6])	C[6,6](C[6,6]C[6]2H)(N[6]C[6]S)(O[6]C[6])(H){1|C<3>,2|C<4>,7|H<1>}	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(SC[6a]OO){3|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[6]O[6])	110.4370	0.000	1	110.4370	0.000	1	110.4370	0.000	1	110.4370	0.000	1	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:3:3:1:	3:4:1:	4:	C[6,6]-4:N[6]-3:N[6]-3:H-1:	C[5a,6]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[6]2H)(N[6]C[5a,6]H)2(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]N[6]H)(H)	H(C[6,6]C[6,6]N[6]2)	C[6,6](C[6,6]N[6]2H)(N[6]C[5a,6]H)2(H){2|C<3>,2|H<1>,2|N<2>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]N[6]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>,2|N<3>}	H(C[6,6]C[6,6]N[6]2)	108.7710	0.000	1	108.7710	0.000	1	108.7710	0.000	1	108.7710	0.000	1	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:C[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(N[6]C[6]H)(H)	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]2N[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(N[6]C[6]H)(H){1|N<3>,2|C<4>,9|H<1>}	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]2N[6])	106.6720	0.000	1	106.6720	0.000	1	106.6720	0.000	1	106.6720	0.000	1	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[3x6]-4:N[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]N)(N[6]C[6,6]C[6a])(N[6]C[6]C)(H)	N[6](C[6,6]C[3x6]N[6]H)(C[6]C[6,6]HH)(CC[6a]HH)	H(C[6,6]C[3x6]N[6]2)	C[6,6](C[3x6]C[3x6]C[6,6]N)(N[6]C[6,6]C[6a])(N[6]C[6]C)(H){3|C<4>,4|C<3>,4|H<1>}	N[6](C[6,6]C[3x6]N[6]H)(C[6]C[6,6]HH)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	H(C[6,6]C[3x6]N[6]2)	107.7730	0.000	1	107.7730	0.000	1	107.7730	0.000	1	108.0153	0.762	17	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[4x6]-4:N[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[4x6]C[6,6a]C[4x6]C[6])(N[6]C[6,6a]H)(N[6]C[6]C)(H)	N[6](C[6,6]C[4x6]N[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[4x6]N[6]2)	C[6,6](C[4x6]C[6,6a]C[4x6]C[6])(N[6]C[6,6a]H)(N[6]C[6]C)(H){3|C<4>,4|C<3>,4|H<1>}	N[6](C[6,6]C[4x6]N[6]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[4x6]N[6]2)	107.8055	0.156	2	107.8055	0.024	2	107.8055	0.024	2	108.0153	0.762	17	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[6,6]-4:C[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]N)(N[6]C[6]C)(H)	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(CC[6a]HH)	H(C[6,6]C[6,6]2N[6])	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]N)(N[6]C[6]C)(H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(CC[6a]HH){1|N<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]2N[6])	109.7090	0.000	1	109.7090	0.000	1	109.7090	0.000	1	108.0153	0.762	17	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[6,6]-4:C[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]N[6]O)(N[6]C[6]C)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2C)(C[6]N[6]O)(N[6]C[6]C)(H){1|C<3>,2|C<4>,6|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH){1|N<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]C[6]N[6])	108.7975	0.319	4	108.7975	0.102	4	108.7975	0.102	4	108.0153	0.762	17	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[6,6]-4:C[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-4:S-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[5]C)(C[6]C[6]H)(N[6]C[6]S)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]C[5]C)(C[6]C[6]H)(N[6]C[6]S)(H){1|O<2>,3|H<1>,5|C<4>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]N[6])	108.6640	0.205	2	108.6640	0.042	2	108.4273	0.189	3	108.0153	0.762	17	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[6,6]-4:C[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-4:S-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(N[6]C[6]S)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(N[6]C[6]S)(H){3|C<4>,6|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.9540	0.000	1	107.9540	0.000	1	108.4273	0.189	3	108.0153	0.762	17	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[6]-4:C[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6]C[5a]C[6]C)(C[6,6]C[6]2)(N[6]C[6]C)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6]C[5a]C[6]C)(C[6,6]C[6]2)(N[6]C[6]C)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,6|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH){2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]N[6])	107.1528	0.394	5	107.1158	0.132	6	107.1158	0.132	6	108.0153	0.762	17	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[6]-4:C[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6]C[5a]C[6]C)(C[6,6]C[6]2)(N[6]C[6]C)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6]C[5a]C[6]C)(C[6,6]C[6]2)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH){1|C<4>,1|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]N[6])	106.9310	0.000	1	107.1158	0.132	6	107.1158	0.132	6	108.0153	0.762	17	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:3:4:1:	3:4:1:	4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(N[6]C[5a,6]H)(C[6]C[6]HH)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]C[6]C)(N[6]C[5a,6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6]N[6])	106.6820	0.000	1	106.6820	0.000	1	106.6820	0.000	1	108.2075	4.654	2	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:3:4:1:	3:4:1:	4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a]H)(C[6]C[6]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a]H)(C[6]C[6]HH)(H){2|C<3>,3|H<1>,4|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	109.7330	0.000	1	109.7330	0.000	1	109.7330	0.000	1	108.2075	4.654	2	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:3:4:1:	3:4:4:	4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a]C)(C[6]C[6]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CCHH)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a]C)(C[6]C[6]HH)(H){2|C<3>,3|H<1>,4|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CCHH){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.5850	0.000	1	108.5850	0.000	1	108.5750	0.000	2	107.9362	0.913	6	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:3:4:1:	3:4:4:	4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]C)(C[6]C[6]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]C)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.5650	0.000	1	108.5650	0.000	1	108.5750	0.000	2	107.9362	0.913	6	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:3:4:1:	3:4:4:	4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:S-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO){2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	106.1560	0.000	1	106.1560	0.000	1	107.6167	1.113	4	107.9362	0.913	6	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:3:4:1:	3:4:4:	4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:S-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H){1|S<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.6410	0.000	1	108.3260	0.198	2	107.6167	1.113	4	107.9362	0.913	6	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:3:4:1:	3:4:4:	4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:S-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H){1|S<4>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.0110	0.000	1	108.3260	0.198	2	107.6167	1.113	4	107.9362	0.913	6	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:3:4:1:	3:4:4:	4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:S-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]S[6]H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]S[6]H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(SC[6a]OO){1|S<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.6590	0.000	1	107.6590	0.000	1	107.6167	1.113	4	107.9362	0.913	6	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:3:4:1:	4:3:2:	4:	C[6,6]-4:N[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6a]-3:N[6]-2:	C[6,6]-4:	C[6,6](C[6,6]C[6a]C[6]N[6])(N[6]C[6a]N[6])(C[6]C[6]HH)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6])	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6a]C[6]N[6])(N[6]C[6a]N[6])(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|S<4>,6|C<3>}	N[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,4|H<1>,6|C<3>}	H(C[6,6]C[6,6]C[6]N[6])	108.0150	0.000	1	108.0150	0.000	1	108.0150	0.000	1	108.0150	0.000	1	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]HO)(N[6]C[6]H)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[3x6]HH)(C[6]C[6]HO)(N[6]C[6]H)(H){2|C<4>,5|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	109.4030	0.000	1	109.4030	0.000	1	109.2469	2.532	13	109.2469	2.532	13	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H){2|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	109.0010	0.000	1	109.0010	0.000	1	109.2469	2.532	13	109.2469	2.532	13	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]O[6]HH)(N[6]C[6]H)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]O[6]HH)(N[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(H){2|C<3>,2|O<2>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	109.1750	0.000	1	109.1750	0.000	1	109.2469	2.532	13	109.2469	2.532	13	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,1|S<2>,2|C<4>,6|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.4700	0.000	1	108.4700	0.000	1	109.2469	2.532	13	109.2469	2.532	13	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6]H)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6]H)(H){3|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	109.3745	0.342	2	109.3745	0.117	2	109.2469	2.532	13	109.2469	2.532	13	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]C[6]H)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,2|C<3>,6|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|N<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	110.9260	0.000	1	110.9260	0.000	1	109.2469	2.532	13	109.2469	2.532	13	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){2|C<3>,2|C<4>,5|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	112.6950	0.000	1	112.6950	0.000	1	109.2469	2.532	13	109.2469	2.532	13	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){3|C<4>,6|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H){1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.7117	1.657	3	108.7117	2.746	3	109.2469	2.532	13	109.2469	2.532	13	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:3:1:	4:4:1:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]C[6]H)(H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,3|C<3>,5|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]C[6]H)(H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.8280	2.110	2	107.8280	4.452	2	109.2469	2.532	13	109.2469	2.532	13	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:3:1:	4:4:2:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]O)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(OH)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]O)(H){2|C<3>,2|C<4>,6|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(OH){2|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	106.2830	0.000	1	106.2830	0.000	1	106.2830	0.000	1	106.2830	0.000	1	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:3:1:	4:4:3:	4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(COO)	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){4|C<4>,6|H<1>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(COO){4|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]N[6])	106.4760	0.000	1	106.4760	0.000	1	106.4760	0.000	1	106.9705	0.489	2	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:3:1:	4:4:3:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(COO)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){1|Cl<1>,1|C<3>,2|C<4>,6|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(COO){3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.4650	0.000	1	107.4650	0.000	1	107.4650	0.000	1	106.9705	0.489	2	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[3x6]-4:C[3x6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2H)(N[6]C[6]2)(H)	N[6](C[6,6]C[3x6]2H)(C[6]C[6]HH)2	H(C[6,6]C[3x6]2N[6])	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2H)(N[6]C[6]2)(H){1|C<3>,1|O<2>,2|O<1>,4|C<4>,6|H<1>}	N[6](C[6,6]C[3x6]2H)(C[6]C[6]HH)2{2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[3x6]2N[6])	108.8510	0.000	1	108.8510	0.000	1	108.8510	0.000	1	107.4425	1.603	76	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6]HH)(N[6]C[6]C)(H)	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6]HH)(N[6]C[6]C)(H){2|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,5|H<1>}	H(C[6,6]C[3x6]C[6]N[6])	107.9300	0.000	1	107.9300	0.000	1	106.9674	0.757	30	107.4425	1.603	76	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6]N[6])	107.2250	0.000	1	107.4913	0.122	10	106.9674	0.757	30	107.4425	1.603	76	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,5|H<1>}	H(C[6,6]C[3x6]C[6]N[6])	107.5209	0.357	9	107.4913	0.122	10	106.9674	0.757	30	107.4425	1.603	76	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]N[6])	107.6580	0.000	1	107.5705	0.015	2	106.9674	0.757	30	107.4425	1.603	76	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]N[6])	107.4830	0.000	1	107.5705	0.015	2	106.9674	0.757	30	107.4425	1.603	76	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6]N[6])	106.1970	1.199	5	106.5219	0.941	15	106.9674	0.757	30	107.4425	1.603	76	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,5|H<1>}	H(C[6,6]C[3x6]C[6]N[6])	106.6844	0.858	10	106.5219	0.941	15	106.9674	0.757	30	107.4425	1.603	76	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6]N[6])	106.6040	0.151	2	106.6040	0.023	2	106.9674	0.757	30	107.4425	1.603	76	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[3x6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:S-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]CH)(N[6]C[6]S)(H)	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(SC[6a]OO)	H(C[6,6]C[3x6]C[6]N[6])	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]CH)(N[6]C[6]S)(H){1|C<3>,4|C<4>,4|H<1>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(SC[6a]OO){1|C<3>,2|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[6]N[6])	107.4720	0.000	1	107.4720	0.000	1	107.4720	0.000	1	107.4425	1.603	76	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[4,4x6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[4,4x6]C[5,4x6]C[4,6]O[4,6])(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	N[6](C[6,6]C[4,4x6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[4,4x6]C[6]N[6])	C[6,6](C[4,4x6]C[5,4x6]C[4,6]O[4,6])(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	N[6](C[6,6]C[4,4x6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[4,4x6]C[6]N[6])	107.9630	0.000	1	107.9630	0.000	1	107.9630	0.000	1	107.4425	1.603	76	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[5,6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[5,6,6]C[6]N[6])	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[5,6,6]C[6]N[6])	110.5990	0.000	1	109.2117	1.009	4	109.2117	1.009	4	107.4425	1.603	76	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[5,6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[5,6,6]C[6]N[6])	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[5,6,6]C[6]N[6])	108.7493	0.479	3	109.2117	1.009	4	109.2117	1.009	4	107.4425	1.603	76	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[5x6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[5x6]C[6]N[6])	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){2|C<3>,4|C<4>,6|H<1>}	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[5x6]C[6]N[6])	107.6920	0.338	2	107.3299	0.510	7	107.3299	0.510	7	107.4425	1.603	76	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[5x6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[5x6]C[6]N[6])	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){3|C<3>,3|C<4>,5|H<1>}	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[5x6]C[6]N[6])	107.1850	0.803	5	107.3299	0.510	7	107.3299	0.510	7	107.4425	1.603	76	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[6,6]-4:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[6]C[6]2)(H)	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)2	H(C[6,6]C[6,6]2N[6])	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[6]C[6]2)(H){4|C<4>,6|H<1>}	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)2{1|O<2>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6]2N[6])	105.4100	0.000	1	105.4100	0.000	1	105.4100	0.000	1	107.4425	1.603	76	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	106.0490	0.000	1	106.0490	0.000	1	107.9881	2.052	20	107.4425	1.603	76	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)(N[6]C[6]C)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)(N[6]C[6]C)(H){1|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,6|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.6840	0.000	1	107.6840	0.000	1	107.9881	2.052	20	107.4425	1.603	76	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]CH)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]HO)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]CH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	105.9930	0.000	1	105.9930	0.000	1	107.9881	2.052	20	107.4425	1.603	76	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[5a,6]HH)(N[6]C[6]C)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(CH3)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6a]2H)(C[6]C[5a,6]HH)(N[6]C[6]C)(H){2|H<1>,5|C<3>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(CH3){3|H<1>,4|C<3>}	H(C[6,6]C[6,6]C[6]N[6])	108.5710	0.000	1	108.5710	0.000	1	107.9881	2.052	20	107.4425	1.603	76	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(N[6]C[6]C)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(N[6]C[6]C)(H){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	110.2660	0.000	1	108.8727	0.918	4	107.9881	2.052	20	107.4425	1.603	76	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(N[6]C[6]C)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(N[6]C[6]C)(H){3|H<1>,4|C<3>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.4083	0.288	3	108.8727	0.918	4	107.9881	2.052	20	107.4425	1.603	76	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[5a,6]HH)(N[6]C[6]C)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[5a,6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	106.6620	1.440	2	106.6620	2.073	2	107.9881	2.052	20	107.4425	1.603	76	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]O[6]HH)(N[6]C[6]C)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]O[6]HH)(N[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH){1|C<3>,2|O<2>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	109.8090	0.000	1	109.8090	0.000	1	107.9881	2.052	20	107.4425	1.603	76	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]C)(H){4|C<4>,6|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	104.3610	0.000	1	104.3610	0.000	1	107.9881	2.052	20	107.4425	1.603	76	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]2H)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<4>,8|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]2H){3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.7390	0.118	3	108.7390	0.014	3	107.9881	2.052	20	107.4425	1.603	76	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<2>,2|C<4>,7|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH){3|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.3360	0.000	1	108.3360	0.000	1	107.9881	2.052	20	107.4425	1.603	76	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CCHH)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<3>,3|C<4>,5|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CCHH){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.3955	0.146	2	108.3955	0.021	2	107.9881	2.052	20	107.4425	1.603	76	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CH3)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<3>,3|C<4>,5|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CH3){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	108.5675	0.076	2	108.5675	0.006	2	107.9881	2.052	20	107.4425	1.603	76	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:P-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(N[6]C[6]P)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(PNNO)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(N[6]C[6]P)(H){1|O<2>,3|C<3>,4|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(PNNO){2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]C[6]N[6])	106.2020	0.000	1	106.2020	0.000	1	106.2020	0.000	1	107.4425	1.603	76	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:S-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]C[6]S)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<3>,1|C<4>,5|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	106.7270	0.000	1	106.7270	0.000	1	107.7412	1.286	5	107.4425	1.603	76	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:S-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(N[6]C[6]S)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(N[6]C[6]S)(H){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	106.6720	0.000	1	106.6720	0.000	1	107.7412	1.286	5	107.4425	1.603	76	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:S-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(N[6]C[6]S)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(SC[6a]OO)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6]HO)(N[6]C[6]S)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6]C[6]N[6])	108.8630	0.000	1	108.8630	0.000	1	107.7412	1.286	5	107.4425	1.603	76	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:S-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(N[6]C[6]S)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(SC[6a]OO)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<3>,2|C<4>,5|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(SC[6a]OO){1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.4310	0.000	1	107.4310	0.000	1	107.7412	1.286	5	107.4425	1.603	76	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:S-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(N[6]C[6]S)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]O[6]H)(C[6]O[6]HH)(N[6]C[6]S)(H){2|C<4>,4|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|F<1>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	109.0130	0.000	1	109.0130	0.000	1	107.7412	1.286	5	107.4425	1.603	76	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:S[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]S[6]C)(H)	N[6](C[6,6]C[6,6]C[6]H)(S[6]N[6]OO)(CC[6a]HH)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]S[6]C)(H){1|C<3>,1|C<4>,1|N<3>,2|O<1>,5|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(S[6]N[6]OO)(CC[6a]HH){3|C<4>,4|H<1>}	H(C[6,6]C[6,6]C[6]N[6])	107.1203	1.398	3	107.1203	1.954	3	107.1203	1.954	3	107.4425	1.603	76	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[6]-4:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](C[6]C[6,6a]CC)(C[6,6]C[6]2H)(N[6]C[6]C)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CC[6a]HH)	H(C[6,6]C[6,6]C[6]N[6])	C[6,6](C[6]C[6,6a]CC)(C[6,6]C[6]2H)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CC[6a]HH){1|H<1>,4|C<4>,5|C<3>}	H(C[6,6]C[6,6]C[6]N[6])	108.3350	0.000	1	108.3350	0.000	1	108.3350	0.000	1	107.4425	1.603	76	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6,6]	N[6]	H	4:4:3:1:	4:4:4:	4:	N[6,6]-4:Ga[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6,6]-4:	C[6,6](N[6,6]Ga[6]C[6]C)(Ga[6]N[6,6]CC)(N[6]C[6]C)(H)	N[6](C[6,6]N[6,6]Ga[6]H)(C[6]N[6]HH)(CH3)	H(C[6,6]N[6,6]Ga[6]N[6])	C[6,6](N[6,6]Ga[6]C[6]C)(Ga[6]N[6,6]CC)(N[6]C[6]C)(H){1|N<3>,4|H<1>,5|C<4>}	N[6](C[6,6]N[6,6]Ga[6]H)(C[6]N[6]HH)(CH3){1|Ga<4>,1|N<4>,5|C<4>}	H(C[6,6]N[6,6]Ga[6]N[6])	104.3890	0.000	1	104.3890	0.000	1	104.3890	0.000	1	107.4425	1.603	76	107.9215	1.642	185	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[3x6]	H	3:4:1:1:	4:4:4:	4:	N[3x6]-3:C[6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](N[3x6]C[4x6]C[6,6])(C[6]C[5,6]HH)(H)2	N[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6]HH)	H(C[6]N[3x6]C[6]H)	C[6](N[3x6]C[4x6]C[6,6])(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	N[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,4|H<1>}	H(C[6]N[3x6]C[6]H)	109.2070	0.028	2	109.2070	0.001	2	109.4887	0.048	6	109.4887	0.048	6	109.4887	0.048	6	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[3x6]	H	3:4:1:1:	4:4:4:	4:	N[3x6]-3:C[6]-4:H-1:H-1:	C[4x6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](N[3x6]C[4x6]C[6,6])(C[6]C[6]HH)(H)2	N[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[5,3x6]HH)(C[6]C[6]HH)	H(C[6]N[3x6]C[6]H)	C[6](N[3x6]C[4x6]C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	N[3x6](C[4x6]C[6,6]2C[6])(C[6,6]C[5,3x6]HH)(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	H(C[6]N[3x6]C[6]H)	109.6295	0.034	4	109.6295	0.001	4	109.4887	0.048	6	109.4887	0.048	6	109.4887	0.048	6	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:2:1:1:	3:4:4:	4:	N[6,6]-3:O[6]-2:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6,6a]C[6,6])(O[6]C[6,6a])(H)2	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)	H(C[6]N[6,6]O[6]H)	C[6](N[6,6]C[6,6,6a]C[6,6])(O[6]C[6,6a])(H)2{1|H<1>,2|C<4>,3|C<3>}	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6]C[6,6]C[6]H)(C[6]O[6]HH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]N[6,6]O[6]H)	109.5473	0.068	4	109.5473	0.005	4	109.5473	0.005	4	109.2959	0.166	8	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:2:1:1:	3:4:4:	4:	N[6,6]-3:O[6]-2:H-1:H-1:	C[6,6,6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6,6a]C[6])(O[6]C[6,6a])(H)2	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(C[6]O[6]HH)	H(C[6]N[6,6]O[6]H)	C[6](N[6,6]C[6,6,6a]C[6])(O[6]C[6,6a])(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(C[6]O[6]HH){1|N<3>,2|H<1>,3|C<3>}	H(C[6]N[6,6]O[6]H)	109.4425	0.074	2	109.4425	0.006	2	109.4425	0.006	2	109.2959	0.166	8	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:2:1:1:	3:4:4:	4:	N[6,6]-3:O[6]-2:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]N[6,6]C[6])(O[6]C[6])(H)2	N[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]O[6]HH)	H(C[6]N[6,6]O[6]H)	C[6](N[6,6]N[6,6]C[6])(O[6]C[6])(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]O[6]HH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]N[6,6]O[6]H)	108.6465	0.049	2	108.6465	0.002	2	108.6465	0.002	2	109.2959	0.166	8	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:2:1:1:	4:4:4:	4:	N[6,6]-3:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(O[6]C[6])(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]O[6]HH)	H(C[6]N[6,6]O[6]H)	C[6](N[6,6]C[6,6]C[6])(O[6]C[6])(H)2{1|C<4>,1|N<3>,6|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]O[6]HH){1|C<4>,1|S<4>,2|H<1>}	H(C[6]N[6,6]O[6]H)	108.0230	0.836	2	108.0230	0.699	2	108.0230	0.699	2	107.8448	4.029	10	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:2:1:1:	4:4:4:	4:	N[6,6]-3:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:S[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]S[6])(O[6]C[6,6a])(H)2	N[6,6](C[6,6]C[6,6a]2H)(C[6]O[6]HH)(S[6]O[6]OO)	H(C[6]N[6,6]O[6]H)	C[6](N[6,6]C[6,6]S[6])(O[6]C[6,6a])(H)2{1|H<1>,1|O<2>,2|O<1>,3|C<3>}	N[6,6](C[6,6]C[6,6a]2H)(C[6]O[6]HH)(S[6]O[6]OO){4|C<3>}	H(C[6]N[6,6]O[6]H)	109.9630	0.007	2	109.9630	0.000	2	107.9317	9.051	4	107.8448	4.029	10	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:2:1:1:	4:4:4:	4:	N[6,6]-3:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:S[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]S[6])(O[6]C[6])(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]O[6]HH)(S[6]C[6]OO)	H(C[6]N[6,6]O[6]H)	C[6](N[6,6]C[6,6]S[6])(O[6]C[6])(H)2{1|C<4>,1|N<3>,2|O<1>,4|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]O[6]HH)(S[6]C[6]OO){2|C<4>,2|H<1>}	H(C[6]N[6,6]O[6]H)	105.9005	3.263	2	105.9005	10.649	2	107.9317	9.051	4	107.8448	4.029	10	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:2:1:1:	4:4:4:	4:	N[6,6]-3:S[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(S[6]C[6])(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]S[6]HH)2	H(C[6]N[6,6]S[6]H)	C[6](N[6,6]C[6,6]C[6])(S[6]C[6])(H)2{1|N<3>,1|S<2>,6|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]S[6]HH)2{2|C<4>}	H(C[6]N[6,6]S[6]H)	107.6687	1.652	4	107.6687	2.730	4	107.6687	2.730	4	107.8448	4.029	10	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:1:	3:4:4:	4:	C[5a,6]-3:N[6,6]-3:H-1:H-1:	C[5a,6]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6,6]C[5a,6]C[6,6])(H)2	N[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]N[6,6]HH)(C[6]C[5a,6]HH)	H(C[6]C[5a,6]N[6,6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6,6]C[5a,6]C[6,6])(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>,3|N<3>}	N[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6]N[6,6]HH)(C[6]C[5a,6]HH){1|C<4>,1|N<2>,4|C<3>}	H(C[6]C[5a,6]N[6,6]H)	109.7408	0.030	4	109.7408	0.001	4	109.6061	0.023	8	109.1805	0.518	129	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:1:	3:4:4:	4:	C[5a,6]-3:N[6,6]-3:H-1:H-1:	C[5a,6]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(N[6,6]C[5a,6]C[6,6])(H)2	N[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]N[6,6]HH)(C[6]C[5a,6]HH)	H(C[6]C[5a,6]N[6,6]H)	C[6](C[5a,6]C[5a,6]S[5a])(N[6,6]C[5a,6]C[6,6])(H)2{1|N<3>,2|H<1>,4|C<3>}	N[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6]N[6,6]HH)(C[6]C[5a,6]HH){1|C<4>,1|H<1>,2|C<3>,2|S<2>}	H(C[6]C[5a,6]N[6,6]H)	109.4715	0.066	4	109.4715	0.004	4	109.6061	0.023	8	109.1805	0.518	129	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:1:	3:4:4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[5,6]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[5,6]C[6,6])(H)2	N[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]N[6]H)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[5,6]C[6,6])(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]N[6]H)(C[6]C[6,6a]HH){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]N[6,6]H)	109.2510	0.064	2	109.2510	0.004	2	109.2510	0.004	2	109.1805	0.518	129	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:1:	3:4:4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]HH)(C[6]C[6]HH)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]HH)(C[6]C[6]HH){3|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6,6]H)	108.1765	1.569	2	108.1765	2.462	2	108.1765	2.462	2	109.1805	0.518	129	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:1:	3:4:4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]CH)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]CH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6,6]H)	109.2433	0.108	4	109.2433	0.012	4	109.1748	0.525	115	109.1805	0.518	129	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:1:	3:4:4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|F<1>,1|N<3>,2|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|F<1>,4|C<3>}	H(C[6]C[6,6a]N[6,6]H)	110.9700	2.785	2	109.1847	0.593	99	109.1748	0.525	115	109.1805	0.518	129	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:1:	3:4:4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|Br<1>,1|C<4>,4|C<3>}	H(C[6]C[6,6a]N[6,6]H)	109.0207	0.032	4	109.1847	0.593	99	109.1748	0.525	115	109.1805	0.518	129	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:1:	3:4:4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6,6]H)	109.1817	0.784	71	109.1847	0.593	99	109.1748	0.525	115	109.1805	0.518	129	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:1:	3:4:4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|N<3>,4|C<3>}	H(C[6]C[6,6a]N[6,6]H)	108.9335	0.022	8	109.1847	0.593	99	109.1748	0.525	115	109.1805	0.518	129	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:1:	3:4:4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|S<2>,4|C<3>}	H(C[6]C[6,6a]N[6,6]H)	108.9830	0.039	4	109.1847	0.593	99	109.1748	0.525	115	109.1805	0.518	129	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:1:	3:4:4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){2|C<4>,4|C<3>}	H(C[6]C[6,6a]N[6,6]H)	109.1590	0.045	2	109.1847	0.593	99	109.1748	0.525	115	109.1805	0.518	129	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:1:	3:4:4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<4>,3|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6,6]H)	109.3203	0.069	4	109.1847	0.593	99	109.1748	0.525	115	109.1805	0.518	129	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:1:	3:4:4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{2|H<1>,2|N<3>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){2|C<4>,4|C<3>}	H(C[6]C[6,6a]N[6,6]H)	109.0915	0.055	4	109.1847	0.593	99	109.1748	0.525	115	109.1805	0.518	129	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:1:	3:4:4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	N[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,5|C<3>}	H(C[6]C[6,6a]N[6,6]H)	109.2681	0.079	8	109.2681	0.006	8	109.1748	0.525	115	109.1805	0.518	129	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:1:	3:4:4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6a]C[6,6])(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,2|H<1>,5|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6,6]H)	108.6743	0.432	4	108.6743	0.186	4	109.1748	0.525	115	109.1805	0.518	129	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]H)(H)2	N[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]O[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	N[6,6](N[6,6]C[6,6]C)(C[6]C[6]HH)(C[6]O[6]HH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	108.7400	0.023	2	108.7400	0.001	2	108.7400	0.001	2	109.1805	0.518	129	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:1:	4:4:4:	4:	C[5a,6]-3:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(C[6]C[6]HH)	H(C[6]C[5a,6]N[6,6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(H)2{2|C<4>,3|C<3>,4|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]N[6,6]H)	110.1490	0.034	2	110.1490	0.001	2	110.1490	0.001	2	108.8274	1.001	123	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:1:	4:4:4:	4:	C[5a,6]-3:N[6,6]-3:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	H(C[6]C[5a,6]N[6,6]H)	C[6](C[5a,6]C[5a,6]S[5a])(N[6,6]C[6,6]C[6])(H)2{2|C<4>,3|C<3>,3|H<1>}	N[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|S<2>,4|H<1>}	H(C[6]C[5a,6]N[6,6]H)	109.8030	0.030	2	109.8030	0.001	2	109.8030	0.001	2	108.8274	1.001	123	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:1:	4:4:4:	4:	C[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C[6])(H)2{2|C<3>,3|C<4>,5|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6,6]N[6,6]H)	109.2210	0.000	1	109.2210	0.000	1	109.2210	0.000	1	108.8274	1.001	123	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]2)(H)2	N[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]2)(H)2{2|C<3>,3|H<1>,4|C<4>}	N[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6,6a]HH){1|Si<4>,1|O<2>,2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6a]N[6,6]H)	109.0380	0.000	1	109.0380	0.000	1	109.0380	0.000	1	108.8274	1.001	123	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6,6]H)	109.4650	0.072	2	109.2832	0.057	5	109.2610	1.912	26	108.8274	1.001	123	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH){4|C<3>,4|H<1>}	H(C[6]C[6,6a]N[6,6]H)	109.1620	0.238	3	109.2832	0.057	5	109.2610	1.912	26	108.8274	1.001	123	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|N<2>,2|C<3>,2|C<4>,4|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH){4|C<3>,4|H<1>}	H(C[6]C[6,6a]N[6,6]H)	108.8810	0.027	2	109.5303	3.064	15	109.2610	1.912	26	108.8274	1.001	123	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH){4|C<3>,4|H<1>}	H(C[6]C[6,6a]N[6,6]H)	109.8686	2.412	8	109.5303	3.064	15	109.2610	1.912	26	108.8274	1.001	123	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{2|C<4>,3|C<3>,4|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH){4|C<3>,4|H<1>}	H(C[6]C[6,6a]N[6,6]H)	109.2488	0.060	5	109.5303	3.064	15	109.2610	1.912	26	108.8274	1.001	123	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>,4|C<3>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6,6a]HH){2|H<1>,8|C<3>}	H(C[6]C[6,6a]N[6,6]H)	108.9410	0.028	2	108.9410	0.001	2	109.2610	1.912	26	108.8274	1.001	123	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6,6a]S[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|C<4>,1|S<2>,3|C<3>,4|H<1>}	N[6,6](C[6,6]C[6,6a]S[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH){2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6,6]H)	108.3835	0.315	4	108.3835	0.099	4	109.2610	1.912	26	108.8274	1.001	123	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6]-4:P[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]P[6,6])(H)2	N[6,6](C[6,6]C[6,6a]O[6]H)(P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]P[6,6])(H)2{1|H<1>,2|N<2>,2|O<2>,4|C<3>}	N[6,6](C[6,6]C[6,6a]O[6]H)(P[6,6]N[6]2O[6])(C[6]C[6,6a]HH){2|P<4>,4|C<3>}	H(C[6]C[6,6a]N[6,6]H)	109.6810	0.023	2	109.6810	0.001	2	109.6810	0.001	2	108.8274	1.001	123	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{2|C<3>,3|C<4>,4|H<1>}	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]N[6,6]H)	108.7285	0.042	2	108.7285	0.002	2	108.6550	0.010	6	108.8274	1.001	123	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(H)2{3|C<3>,3|C<4>,3|H<1>}	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6a]N[6,6]H)	108.6183	0.100	4	108.6183	0.010	4	108.6550	0.010	6	108.8274	1.001	123	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6,6]C)(H)2	N[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6,6]C)(H)2{4|C<4>,4|H<1>}	N[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	108.8150	0.006	2	108.8150	0.000	2	108.7885	0.222	11	108.8274	1.001	123	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6,6]C)(H)2	N[6,6](C[3x6]C[5,5,6,6]C[6,6]H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6,6]C)(H)2{4|C<4>,4|H<1>}	N[6,6](C[3x6]C[5,5,6,6]C[6,6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.0465	0.063	2	109.0465	0.004	2	108.7885	0.222	11	108.8274	1.001	123	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6,6]C)(H)2	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6,6]C)(H)2{4|C<4>,4|H<1>}	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	107.8650	0.034	2	107.8650	0.001	2	108.7885	0.222	11	108.8274	1.001	123	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]H)(H)2	N[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]H)(H)2{1|C<3>,3|C<4>,3|H<1>}	N[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HH)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.0510	0.000	1	109.0510	0.000	1	108.7885	0.222	11	108.8274	1.001	123	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-3:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]O)(H)2	N[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,4|H<1>}	N[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)2{1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	109.0425	0.125	4	109.0425	0.016	4	108.7885	0.222	11	108.8274	1.001	123	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-3:H-1:H-1:	C[4,3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[4,3x6]C[6])(C[6]C[6]H)(H)2	N[6,6](C[4,3x6]C[4,6,6]C[6,6]C[4])(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[4,3x6]C[6])(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	N[6,6](C[4,3x6]C[4,6,6]C[6,6]C[4])(C[6]C[6]HH)2{1|C<3>,4|C<4>,6|H<1>}	H(C[6]N[6,6]C[6]H)	108.9600	0.006	2	108.9600	0.000	2	108.9600	0.000	2	108.8274	1.001	123	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H)2	N[6,6](C[5,6,6]C[3,5,6]C[5,6]C)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	N[6,6](C[5,6,6]C[3,5,6]C[5,6]C)(C[6]C[6]HH)2{1|C<3>,4|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	108.6000	0.000	1	108.6000	0.000	1	108.6000	0.000	1	108.8274	1.001	123	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2{1|C<3>,2|C<4>,5|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.2833	0.023	3	108.1874	1.988	7	108.2302	1.718	8	108.8274	1.001	123	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2{1|N<3>,3|C<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	108.4955	0.052	2	108.1874	1.988	7	108.2302	1.718	8	108.8274	1.001	123	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2{2|C<3>,2|C<4>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	106.2355	0.713	2	108.1874	1.988	7	108.2302	1.718	8	108.8274	1.001	123	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2	N[6,6](C[6,6]C[6,6]C[6a]H)(C[6]C[6]HH)(C[6]N[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[6,6](C[6,6]C[6,6]C[6a]H)(C[6]C[6]HH)(C[6]N[6]HH){1|O<2>,2|H<1>,4|C<3>}	H(C[6]N[6,6]C[6]H)	108.5300	0.000	1	108.5300	0.000	1	108.2302	1.718	8	108.8274	1.001	123	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:1:	4:4:4:	4:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]2)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]2)(H)2{1|N<3>,1|N<4>,2|C<4>,7|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2{1|H<1>,4|C<4>}	H(C[6]N[6,6]N[6]H)	108.5541	0.295	7	108.7594	0.231	9	108.6756	0.211	57	108.8274	1.001	123	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:1:	4:4:4:	4:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]2)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]2)(H)2{1|N<3>,1|N<4>,2|C<4>,7|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2{5|C<4>}	H(C[6]N[6,6]N[6]H)	109.4780	0.007	2	108.7594	0.231	9	108.6756	0.211	57	108.8274	1.001	123	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:1:	4:4:4:	4:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,6|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH){1|S<4>,2|C<4>,2|H<1>}	H(C[6]N[6,6]N[6]H)	108.8710	0.846	2	108.8710	0.715	2	108.6756	0.211	57	108.8274	1.001	123	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:1:	4:4:4:	4:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|N<4>,6|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2{5|C<4>}	H(C[6]N[6,6]N[6]H)	109.4750	0.014	3	108.6013	0.138	21	108.6756	0.211	57	108.8274	1.001	123	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:1:	4:4:4:	4:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{2|N<3>,6|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2{4|C<4>}	H(C[6]N[6,6]N[6]H)	108.4557	0.076	18	108.6013	0.138	21	108.6756	0.211	57	108.8274	1.001	123	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:1:	4:4:4:	4:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	N[6,6](C[6,6]P[6,6]HH)(C[6]N[6]HH)2	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|P<4>,6|H<1>}	N[6,6](C[6,6]P[6,6]HH)(C[6]N[6]HH)2{1|Cu<4>,2|C<3>,2|C<4>}	H(C[6]N[6,6]N[6]H)	108.5126	0.191	8	108.6231	0.047	14	108.6756	0.211	57	108.8274	1.001	123	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:1:	4:4:4:	4:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	N[6,6](C[6,6]P[6,6]HH)(C[6]N[6]HH)2	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|P<4>,6|H<1>}	N[6,6](C[6,6]P[6,6]HH)(C[6]N[6]HH)2{1|Mo<9>,2|C<3>,2|C<4>}	H(C[6]N[6,6]N[6]H)	108.6493	0.023	3	108.6231	0.047	14	108.6756	0.211	57	108.8274	1.001	123	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:1:	4:4:4:	4:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	N[6,6](C[6,6]P[6,6]HH)(C[6]N[6]HH)2	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|P<4>,6|H<1>}	N[6,6](C[6,6]P[6,6]HH)(C[6]N[6]HH)2{1|Pt<4>,2|C<3>,2|C<4>}	H(C[6]N[6,6]N[6]H)	108.8917	0.129	3	108.6231	0.047	14	108.6756	0.211	57	108.8274	1.001	123	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:1:	4:4:4:	4:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]S)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]S)(H)2{1|C<4>,1|N<3>,6|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH){1|C<4>,2|H<1>,2|S<4>}	H(C[6]N[6,6]N[6]H)	109.9565	1.189	2	109.9565	1.413	2	108.6756	0.211	57	108.8274	1.001	123	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:1:	4:4:4:	4:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2{2|C<3>,2|N<3>,6|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)2{2|C<3>,2|C<4>}	H(C[6]N[6,6]N[6]H)	108.3777	0.052	7	108.3777	0.003	7	108.6756	0.211	57	108.8274	1.001	123	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:1:	4:4:4:	4:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(N[6]O[6]C)(H)2	N[6,6](C[6,6]C[6,6]C[6a]H)(C[6]C[6]HH)(C[6]N[6]HH)	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]C[6])(N[6]O[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6,6](C[6,6]C[6,6]C[6a]H)(C[6]C[6]HH)(C[6]N[6]HH){1|O<2>,2|H<1>,4|C<3>}	H(C[6]N[6,6]N[6]H)	109.0130	0.010	2	109.0130	0.000	2	108.6756	0.211	57	108.8274	1.001	123	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:1:	4:4:4:	4:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:S[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]S[6])(N[6]C[6]C)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)(S[6]C[6]OO)	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]S[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|O<1>,4|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)(S[6]C[6]OO){2|H<1>,3|C<4>}	H(C[6]N[6,6]N[6]H)	108.0955	3.149	2	108.0955	9.915	2	107.9940	9.694	4	108.8274	1.001	123	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:1:	4:4:4:	4:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:S[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]S[6])(N[6]C[6]S)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)(S[6]C[6]OO)	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]S[6])(N[6]C[6]S)(H)2{1|C<4>,1|N<3>,2|O<1>,4|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)(S[6]C[6]OO){1|S<4>,2|C<4>,2|H<1>}	H(C[6]N[6,6]N[6]H)	107.8925	4.373	2	107.8925	19.127	2	107.9940	9.694	4	108.8274	1.001	123	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:1:1:	5:4:4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	P[6,6]-5:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]P[6,6]C[6])(H)2	N[6,6](P[6,6]O[6]2OO)(C[6]C[6,6a]HH)2	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]P[6,6]C[6])(H)2{3|C<3>,3|H<1>,4|O<2>}	N[6,6](P[6,6]O[6]2OO)(C[6]C[6,6a]HH)2{4|C<3>}	H(C[6]C[6,6a]N[6,6]H)	108.7940	0.046	4	108.7940	0.002	4	108.7940	0.002	4	108.7940	0.002	4	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:3:1:	3:4:4:	4:	C[6,6a]-3:N[6,6]-3:N-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(NHS)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HN)	H(C[6]C[6,6a]N[6,6]N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(NHS)(H){1|N<3>,3|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HN){2|C<4>,4|C<3>}	H(C[6]C[6,6a]N[6,6]N)	108.3300	0.000	1	108.3300	0.000	1	108.3300	0.000	1	108.3300	0.000	1	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:3:1:	4:3:4:	4:	C[6,6a]-3:N[6,6]-3:N-3:H-1:	C[3x6]-4:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[3x6])(NC[6a]H)(H)	N[6,6](C[3x6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)	H(C[6]C[6,6a]N[6,6]N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[3x6])(NC[6a]H)(H){1|N<3>,2|H<1>,5|C<3>}	N[6,6](C[3x6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN){1|C<4>,1|H<1>,6|C<3>}	H(C[6]C[6,6a]N[6,6]N)	107.9850	0.000	1	107.9850	0.000	1	107.9850	0.000	1	107.9850	0.000	1	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:3:1:	4:4:3:	4:	C[6,6a]-3:N[6,6]-3:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(CNO)(H)	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(C[6]C[6]O)	H(C[6]C[6,6a]N[6,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(CNO)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(C[6]C[6]O){2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[6,6]C)	107.9580	0.000	1	107.9580	0.000	1	107.9580	0.000	1	107.9580	0.000	1	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:3:1:	4:4:4:	4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	N[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]N[6,6]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,5|H<1>,6|C<3>}	N[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6,6a]C[6a]H)(C[6]C[6]HH){2|H<1>,6|C<3>}	H(C[6]C[6,6a]N[6,6]C[6a])	106.8915	0.040	2	106.8915	0.002	2	106.8915	0.002	2	107.0509	0.187	7	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:3:1:	4:4:4:	4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]CH)	H(C[6]C[6,6a]N[6,6]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<2>,3|C<4>,4|H<1>,5|C<3>}	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]CH){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]N[6,6]C[6a])	106.6785	0.045	2	106.6785	0.002	2	107.1146	0.262	5	107.0509	0.187	7	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:3:1:	4:4:4:	4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)	H(C[6]C[6,6a]N[6,6]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,5|C<3>,5|H<1>}	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]N[6,6]C[6a])	107.6115	0.398	2	107.4053	0.207	3	107.1146	0.262	5	107.0509	0.187	7	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:3:1:	4:4:4:	4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)	H(C[6]C[6,6a]N[6,6]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,5|C<3>,5|H<1>}	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH){1|O<2>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]N[6,6]C[6a])	106.9930	0.000	1	107.4053	0.207	3	107.1146	0.262	5	107.0509	0.187	7	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:4:1:	3:4:4:	4:	C[6,6a]-3:N[6,6]-3:C-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(CCHH)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]CH)	H(C[6]C[6,6a]N[6,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(CCHH)(H){1|N<3>,3|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]CH){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6,6]C)	105.3603	0.120	3	105.3603	0.014	3	105.3603	0.014	3	105.9262	0.403	6	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:4:1:	3:4:4:	4:	N[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6a]C[6]H)	H(C[6]N[6,6]C[6a]C[6])	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|C<4>,4|C<3>,5|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6a]C[6]H){2|C<4>,4|C<3>,4|H<1>}	H(C[6]N[6,6]C[6a]C[6])	106.4920	0.179	3	106.4920	0.032	3	106.4920	0.032	3	105.9262	0.403	6	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:4:1:	4:3:4:	4:	N[6,6]-3:C[6]-3:C-4:H-1:	C[5,6,6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[5,6,6]C[6,6])(C[6]N[6]O)(CC[6a]HH)(H)	N[6,6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6,6]C[6]N[6])(C[6]C[6]CH)	H(C[6]N[6,6]C[6]C)	C[6](N[6,6]C[5,6,6]C[6,6])(C[6]N[6]O)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|O<2>}	N[6,6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6,6]C[6]N[6])(C[6]C[6]CH){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]N[6,6]C[6]C)	108.6260	0.000	1	108.6260	0.000	1	108.6260	0.000	1	108.6260	0.000	1	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:4:1:	4:4:3:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-4:P[6,6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]P[6,6])(C[6]C[6]HH)(H)	N[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6,6a]2H)(P[6,6]O[6]2)	H(C[6]C[6,6a]N[6,6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]P[6,6])(C[6]C[6]HH)(H){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	N[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6,6a]2H)(P[6,6]O[6]2){1|C<4>,2|H<1>,6|C<3>}	H(C[6]C[6,6a]N[6,6]C[6])	106.3590	0.000	1	106.3590	0.000	1	106.3590	0.000	1	106.3590	0.000	1	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:4:1:	4:4:4:	4:	C[6,6a]-3:N[6,6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6])(CHHO)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(C[6]C[6,6]HO)	H(C[6]C[6,6a]N[6,6]C)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6])(CHHO)(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(C[6]C[6,6]HO){1|C<4>,1|N<3>,1|S<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6,6]C)	108.4680	0.000	1	108.4680	0.000	1	107.6020	1.500	2	108.7810	1.539	5	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:4:1:	4:4:4:	4:	C[6,6a]-3:N[6,6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(CH3)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]CH)(C[6]C[6]HH)	H(C[6]C[6,6a]N[6,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(CH3)(H){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]CH)(C[6]C[6]HH){4|C<3>,4|H<1>}	H(C[6]C[6,6a]N[6,6]C)	106.7360	0.000	1	106.7360	0.000	1	107.6020	1.500	2	108.7810	1.539	5	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:4:1:	4:4:4:	4:	N[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]N[6,6]C[6a]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]HH){1|N<3>,4|C<3>,6|H<1>}	H(C[6]N[6,6]C[6a]C[6])	109.4620	0.000	1	109.4620	0.000	1	109.4620	0.000	1	108.7810	1.539	5	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:3:4:1:	4:4:4:	4:	N[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]CH)	H(C[6]N[6,6]C[6a]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,7|H<1>}	H(C[6]N[6,6]C[6a]C[6])	109.6195	0.083	2	109.6195	0.007	2	109.6195	0.007	2	108.7810	1.539	5	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	3:3:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](N[6,6]C[6]P[6])(C[6]N[6,6]O)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,1|P<4>,2|H<1>}	N[6,6](N[6,6]C[6]P[6])(C[6]N[6,6]O)(C[6]C[6]HH){1|N<3>,1|O<2>,1|S<1>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	103.0385	1.590	2	103.0385	2.529	2	103.0385	2.529	2	103.0385	2.529	2	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	3:4:2:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:N[6]-2:	C[6]-4:	C[6](N[6,6]C[6,6]N[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)(N[6]C[6])	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]N[6])(C[6]C[6,6a]HH)(H)2{1|N<2>,3|C<3>}	N[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)(N[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	H(C[6]N[6,6]C[6]H)	109.8345	0.005	2	109.8345	0.000	2	109.8345	0.000	2	109.8345	0.000	2	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[6,6]2)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6,6](C[3x6]C[6,6]2)(C[6]C[6]HH)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.4760	0.093	9	109.4760	0.009	9	109.4760	0.009	9	109.4195	0.162	81	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2{4|C<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.3885	0.032	2	109.4184	0.010	19	109.4744	0.041	21	109.4195	0.162	81	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.4219	0.106	17	109.4184	0.010	19	109.4744	0.041	21	109.4195	0.162	81	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6,6a]C[6])(C[6]N[6]HH)(H)2	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(C[6]O[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(C[6]O[6]HH){1|N<3>,2|H<1>,3|C<3>}	H(C[6]N[6,6]C[6]H)	110.0070	0.008	2	110.0070	0.000	2	109.4744	0.041	21	109.4195	0.162	81	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]HH)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{2|H<1>,4|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]HH)(C[6]C[6]HH){3|H<1>,4|C<3>}	H(C[6]N[6,6]C[6]H)	108.6980	2.155	2	108.6980	4.645	2	109.4377	0.328	24	109.4195	0.162	81	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|H<1>,6|C<4>}	H(C[6]N[6,6]C[6]H)	109.2950	0.069	4	109.4087	0.017	9	109.4377	0.328	24	109.4195	0.162	81	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|C<4>,2|N<3>,4|H<1>}	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{2|Mo<5>,6|C<4>}	H(C[6]N[6,6]C[6]H)	109.4996	0.088	5	109.4087	0.017	9	109.4377	0.328	24	109.4195	0.162	81	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.3576	0.331	7	109.5715	0.118	13	109.4377	0.328	24	109.4195	0.162	81	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{2|Ru<5>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.8212	0.118	6	109.5715	0.118	13	109.4377	0.328	24	109.4195	0.162	81	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[3x6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6a]C[3x6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[3x6]N[6,6]2H)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[3x6])(C[6]C[6]HH)(H)2{2|C<3>,2|N<3>,3|H<1>}	N[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[3x6]N[6,6]2H)(C[6]C[6]HH){3|C<3>,3|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	109.5703	0.338	6	109.5703	0.114	6	109.5703	0.114	6	109.4195	0.162	81	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[5a,6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH){2|N<3>,4|C<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.3585	0.028	2	109.3585	0.001	2	109.2765	0.164	21	109.4195	0.162	81	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH){1|C<4>,3|H<1>,5|C<3>}	H(C[6]N[6,6]C[6]H)	109.3830	0.000	1	108.6687	0.383	3	109.2765	0.164	21	109.4195	0.162	81	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH){1|N<3>,3|H<1>,5|C<3>}	H(C[6]N[6,6]C[6]H)	108.3115	0.025	2	108.6687	0.383	3	109.2765	0.164	21	109.4195	0.162	81	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH){1|Si<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	109.0560	0.000	1	109.0560	0.000	1	109.2765	0.164	21	109.4195	0.162	81	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH){2|C<4>,4|C<3>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.8630	0.376	2	109.8630	0.142	2	109.2765	0.164	21	109.4195	0.162	81	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH){1|Si<4>,1|C<4>,2|C<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.2553	0.066	3	109.1842	0.012	5	109.2765	0.164	21	109.4195	0.162	81	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.0775	0.022	2	109.1842	0.012	5	109.2765	0.164	21	109.4195	0.162	81	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	H(C[6]N[6,6]C[6]H)	109.5640	0.000	1	109.5640	0.000	1	109.2765	0.164	21	109.4195	0.162	81	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]N[6,6]HH)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6]C[6]HH){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.2827	0.044	3	109.2827	0.002	3	109.2765	0.164	21	109.4195	0.162	81	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]O[6]CH)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]O[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	H(C[6]N[6,6]C[6]H)	109.4930	0.393	2	109.4930	0.155	2	109.2765	0.164	21	109.4195	0.162	81	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	3:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]O[6]HH)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]O[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<2>,1|C<4>,1|O<2>,3|C<3>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.4915	0.013	2	109.4915	0.000	2	109.2765	0.164	21	109.4195	0.162	81	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:3:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2{1|H<1>,5|C<3>}	N[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|N<3>,3|H<1>,5|C<3>}	H(C[6]N[6,6]C[6]H)	109.2700	0.035	2	109.2700	0.001	2	109.5947	0.065	6	109.4451	1.489	31	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:3:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	H(C[6]N[6,6]C[6]H)	109.7570	0.054	4	109.7570	0.003	4	109.5947	0.065	6	109.4451	1.489	31	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:3:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	N[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	N[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	109.8835	0.006	2	109.8835	0.000	2	109.7046	0.036	5	109.4451	1.489	31	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:3:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]C[6])(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6a]C[6])(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.4320	0.000	1	109.4320	0.000	1	109.7046	0.036	5	109.4451	1.489	31	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:3:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	N[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.6620	0.025	2	109.6620	0.001	2	109.7046	0.036	5	109.4451	1.489	31	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:3:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:N[6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]N[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]O[6]H)(N[6]C[5,6]S)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]N[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>,2|C<3>}	N[6,6](C[6,6]C[6,6a]O[6]H)(N[6]C[5,6]S)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]N[6,6]C[6]H)	110.4086	0.270	8	110.4086	0.073	8	110.2268	0.088	14	109.4451	1.489	31	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:3:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:N[6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]N[6])(C[6]O[6]HH)(H)2	N[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6]H)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]N[6])(C[6]O[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	N[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,6|H<1>}	H(C[6]N[6,6]C[6]H)	109.9843	0.055	6	109.9843	0.003	6	110.2268	0.088	14	109.4451	1.489	31	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:3:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	P[6]-4:N[6,6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]N[6,6]P[6])(C[6]C[6]HH)(H)2	N[6,6](P[6]N[6,6]OS)(N[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]N[6,6]P[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,1|S<1>,2|H<1>}	N[6,6](P[6]N[6,6]OS)(N[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	107.2117	1.188	4	107.2117	1.412	4	107.2117	1.412	4	109.4451	1.489	31	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:3:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	S[6]-4:C[6,6]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]S[6])(C[6]N[6]HH)(H)2	N[6,6](S[6]C[6,6a]OO)(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]S[6])(C[6]N[6]HH)(H)2{1|H<1>,2|O<1>,3|C<3>}	N[6,6](S[6]C[6,6a]OO)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]N[6,6]C[6]H)	107.3430	1.008	2	107.3430	1.017	2	107.3430	1.017	2	109.4451	1.489	31	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)(C[6]C[6]H){4|H<1>,5|C<4>}	H(C[6]N[6,6]C[6]H)	109.4070	0.086	4	109.4070	0.007	4	109.4608	0.017	9	109.4346	1.703	34	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]N[5,6]HH)(H)2	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]N[5,6]HH)(H)2{1|N<3>,1|O<1>,4|C<4>}	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)(C[6]C[6]O){2|N<3>,3|H<1>,4|C<4>}	H(C[6]N[6,6]C[6]H)	109.6685	0.005	2	109.6685	0.000	2	109.4608	0.017	9	109.4346	1.703	34	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<4>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]O){2|N<3>,3|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.4150	0.000	1	109.3940	0.003	3	109.4608	0.017	9	109.4346	1.703	34	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<4>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,1|N<4>,3|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.3835	0.071	2	109.3940	0.003	3	109.4608	0.017	9	109.4346	1.703	34	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[5,3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[5,3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	N[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(C[6]C[6]O){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.7920	0.024	2	109.7920	0.001	2	109.7920	0.001	2	109.4346	1.703	34	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[6,6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.3420	0.047	2	109.3420	0.002	2	109.2525	1.447	11	109.4346	1.703	34	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	H(C[6]N[6,6]C[6]H)	106.8940	0.580	2	106.8940	0.336	2	109.2525	1.447	11	109.4346	1.703	34	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]N)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<2>,2|C<4>,4|H<1>}	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]N){2|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.9765	0.025	2	109.9765	0.001	2	109.2525	1.447	11	109.4346	1.703	34	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]S[6]N)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|S<2>,4|H<1>}	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]S[6]N){2|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	109.9110	0.020	4	109.9110	0.000	4	109.2525	1.447	11	109.4346	1.703	34	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]N[6,6]C[6]H)	109.7090	0.000	1	109.7090	0.000	1	109.2525	1.447	11	109.4346	1.703	34	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]N[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)(N[6]C[6]C)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]N[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)(N[6]C[6]C){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	H(C[6]N[6,6]C[6]H)	110.1658	0.177	4	110.1658	0.031	4	109.9590	0.121	6	109.4346	1.703	34	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]C)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[6,6](C[6,6]N[5a,6]C[6]H)(C[6]C[6]HH)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<2>,6|H<1>}	H(C[6]N[6,6]C[6]H)	109.5455	0.005	2	109.5455	0.000	2	109.9590	0.121	6	109.4346	1.703	34	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:S[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]S[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(S[6]O[6]O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]S[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(S[6]O[6]O){1|C<4>,2|C<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.4365	3.689	2	109.0853	7.596	6	109.0853	7.596	6	109.4346	1.703	34	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:S[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]S[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(S[6]O[6]O)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]S[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(S[6]O[6]O){2|C<3>,2|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	108.9098	2.828	4	109.0853	7.596	6	109.0853	7.596	6	109.4346	1.703	34	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)	H(C[6]C[5,6]N[6,6]H)	C[6](N[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(H)2{1|N<3>,1|O<1>,2|C<3>,3|C<4>,6|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5,6]N[6,6]H)	109.4605	1.435	2	109.4605	2.058	2	109.4605	2.058	2	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2	N[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[6]C[6,6]N[6,6]H)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2{1|N<3>,5|C<4>,5|H<1>}	N[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]N[6,6]H)	109.4880	0.035	2	109.4880	0.001	2	108.9951	5.160	20	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]CC)	H(C[6]C[6,6]N[6,6]H)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2{1|C<2>,1|N<3>,4|H<1>,5|C<4>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]CC){4|C<4>,6|H<1>}	H(C[6]C[6,6]N[6,6]H)	108.5360	4.774	2	108.5360	22.795	2	108.9951	5.160	20	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[6]C[6,6]N[6,6]H)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|N<3>,3|C<4>,6|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]N[6,6]H)	109.6680	4.960	2	108.9909	4.955	16	108.9951	5.160	20	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[6]C[6,6]N[6,6]H)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2{1|N<3>,4|C<4>,6|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){4|C<4>,6|H<1>}	H(C[6]C[6,6]N[6,6]H)	106.1565	5.478	2	108.9909	4.955	16	108.9951	5.160	20	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[6]C[6,6]N[6,6]H)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2{1|N<4>,4|C<4>,6|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){4|C<4>,6|H<1>}	H(C[6]C[6,6]N[6,6]H)	109.3504	0.328	12	108.9909	4.955	16	108.9951	5.160	20	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,5,6]HH)(H)2	N[6,6](C[3x6]C[5,5,6,6]C[6,6]H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,5,6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	N[6,6](C[3x6]C[5,5,6,6]C[6,6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	108.6225	0.005	2	108.6225	0.000	2	109.1173	0.678	184	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,6,6]HH)(H)2	N[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,6,6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	N[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.1585	0.019	2	109.1585	0.000	2	109.1173	0.678	184	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,6,6]HH)(H)2	N[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,6,6]HH)(H)2{2|C<4>,2|H<1>,4|C<3>}	N[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)2{1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	109.0843	0.010	3	109.0843	0.000	3	109.1173	0.678	184	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,6,6]HH)(H)2	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	108.9225	0.011	2	108.9225	0.000	2	109.1173	0.678	184	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,6]HH)(H)2	N[6,6](C[3x6]C[5a,6,6]C[5,6,6]H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	N[6,6](C[3x6]C[5a,6,6]C[5,6,6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.7562	0.078	4	109.7562	0.006	4	109.1173	0.678	184	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[3x6]C[5a,6,6]C[5,6,6]H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6,6](C[3x6]C[5a,6,6]C[5,6,6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	108.4237	0.016	3	108.4237	0.000	3	109.1173	0.678	184	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	108.2827	1.028	19	108.3239	0.685	29	109.1173	0.678	184	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	108.4021	0.069	10	108.3239	0.685	29	109.1173	0.678	184	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]C)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	N[6,6](C[3x6]C[3x6]N[6,6]C)(C[6]C[6]HH)2{1|C<3>,2|N<3>,3|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	108.8720	0.049	2	108.8720	0.002	2	109.1173	0.678	184	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,1|N<4>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	108.9575	0.011	2	109.2252	0.191	6	109.1173	0.678	184	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2{1|C<3>,2|C<4>,2|N<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	108.9300	0.049	2	109.2252	0.191	6	109.1173	0.678	184	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2{1|N<4>,2|C<4>,5|H<1>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2{1|N<3>,1|N<4>,4|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.7880	0.044	2	109.2252	0.191	6	109.1173	0.678	184	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)2{1|C<3>,2|N<3>,3|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	108.8820	0.000	1	108.8820	0.000	1	109.1173	0.678	184	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]C)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	N[6,6](C[3x6]C[3x6]N[6,6]C)(C[6]C[6]HH)2{2|N<3>,3|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.1943	0.067	4	109.1943	0.004	4	109.1173	0.678	184	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2{2|C<4>,2|N<3>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.2127	0.265	4	109.5442	0.079	13	109.1173	0.678	184	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2{1|N<3>,1|N<4>,3|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.6810	0.125	7	109.5442	0.079	13	109.1173	0.678	184	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2{2|N<3>,3|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.7285	0.015	2	109.5442	0.079	13	109.1173	0.678	184	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|N<4>,3|C<4>,4|H<1>}	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)2{1|N<3>,1|N<4>,3|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.2410	0.011	2	109.2410	0.000	2	109.1173	0.678	184	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.1611	1.546	19	109.2671	1.623	28	109.1173	0.678	184	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.4911	0.122	9	109.2671	1.623	28	109.1173	0.678	184	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	N[6,6](C[3x6]C[6,6]2C)(C[6]C[6]HH)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.2455	0.015	2	109.2455	0.000	2	109.1173	0.678	184	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6]C[3,6]CH)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<2>,3|C<4>,4|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6]C[3,6]CH)(C[6]C[6]HH){1|O<2>,4|H<1>,5|C<4>}	H(C[6]N[6,6]C[6]H)	108.9683	0.045	3	108.9683	0.002	3	109.1173	0.678	184	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]2H)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]2H)(C[6]C[6]HH){1|C<3>,5|C<4>,6|H<1>}	H(C[6]N[6,6]C[6]H)	109.1783	0.016	3	109.1783	0.000	3	109.1173	0.678	184	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.2777	0.022	3	109.1903	0.010	22	109.1173	0.678	184	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2{1|C<3>,4|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.2587	0.050	4	109.1903	0.010	22	109.1173	0.678	184	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2{4|C<4>,6|H<1>}	H(C[6]N[6,6]C[6]H)	109.1546	0.098	15	109.1903	0.010	22	109.1173	0.678	184	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	N[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2{2|N<3>,3|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	108.6345	1.534	4	108.6345	2.354	4	109.1173	0.678	184	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]N[6,6]2H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,5|H<1>}	N[6,6](C[3x6]N[6,6]2H)(C[6]C[6]HH)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	108.9398	0.651	8	109.2349	0.294	16	109.1173	0.678	184	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]N[6,6]2H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,5|H<1>}	N[6,6](C[3x6]N[6,6]2H)(C[6]C[6]HH)2{4|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.5300	0.081	8	109.2349	0.294	16	109.1173	0.678	184	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]N[5,6]HH)(H)2	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]N[5,6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)2{1|C<3>,2|N<3>,3|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	109.4150	0.007	2	109.2458	0.038	4	109.1173	0.678	184	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]N[5,6]HH)(H)2	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]N[5,6]HH)(H)2{1|N<4>,2|H<1>,4|C<4>}	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)2{1|N<3>,1|N<4>,3|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.0765	0.023	2	109.2458	0.038	4	109.1173	0.678	184	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]C)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	N[6,6](C[3x6]C[3x6]N[6,6]C)(C[6]C[6]HH)2{2|N<3>,3|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.4200	0.013	2	109.4963	0.017	4	109.1173	0.678	184	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]C)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	N[6,6](C[3x6]C[3x6]N[6,6]C)(C[6]C[6]HH)2{1|C<3>,2|N<3>,3|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	109.4520	0.000	1	109.4963	0.017	4	109.1173	0.678	184	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]C)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	N[6,6](C[3x6]C[3x6]N[6,6]C)(C[6]C[6]HH)2{2|N<3>,3|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.6930	0.000	1	109.4963	0.017	4	109.1173	0.678	184	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]CC)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|Cu<6>,1|C<5>,1|H<1>,1|N<4>,4|C<4>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]CC)(C[6]C[6]HH){1|Cu<6>,2|C<4>,2|N<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.7690	0.017	2	109.7690	0.000	2	109.1173	0.678	184	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2{2|C<4>,2|N<3>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.6605	0.064	2	109.3935	0.220	19	109.1173	0.678	184	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,1|N<4>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	110.2010	0.055	2	109.3935	0.220	19	109.1173	0.678	184	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2{1|C<3>,2|C<4>,2|N<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.8910	0.016	2	109.3935	0.220	19	109.1173	0.678	184	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2{2|C<4>,2|N<3>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.6985	0.025	2	109.3935	0.220	19	109.1173	0.678	184	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|N<4>,3|C<4>,3|H<1>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2{2|N<3>,3|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.4585	0.056	2	109.3935	0.220	19	109.1173	0.678	184	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|N<4>,3|H<1>,4|C<4>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2{1|N<3>,1|N<4>,3|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	108.9957	0.132	7	109.3935	0.220	19	109.1173	0.678	184	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|N<4>,3|H<1>,4|C<4>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2{1|N<3>,1|N<4>,4|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	108.8440	0.024	2	109.3935	0.220	19	109.1173	0.678	184	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]N[6]HH)(H)2	N[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]N[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	N[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]C[6]HH)2{2|N<3>,3|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	110.0135	1.881	4	110.0135	3.539	4	109.1173	0.678	184	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:S[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]S[6])(C[6]C[6]HH)(H)2	N[6,6](C[3x6]N[6,6]C[6]2)(C[6]C[6]HH)(S[6]N[6]OO)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]S[6])(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,2|N<3>,2|O<1>}	N[6,6](C[3x6]N[6,6]C[6]2)(C[6]C[6]HH)(S[6]N[6]OO){1|C<3>,3|C<4>,7|H<1>}	H(C[6]N[6,6]C[6]H)	109.9105	0.012	2	109.9105	0.000	2	109.9105	0.000	2	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[4,3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[4,3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[4,3x6]C[4,6,6]C[6,6]C[4])(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[4,3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	N[6,6](C[4,3x6]C[4,6,6]C[6,6]C[4])(C[6]C[6]HH)2{1|C<3>,4|C<4>,6|H<1>}	H(C[6]N[6,6]C[6]H)	109.2185	0.039	2	109.2185	0.002	2	109.2185	0.002	2	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[4x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)2{1|C<3>,1|O<2>,4|C<4>,7|H<1>}	H(C[6]N[6,6]C[6]H)	108.7010	0.254	4	108.7010	0.064	4	108.7010	0.064	4	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[5,3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[5,3x6]N[5,6,6]2H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[5,3x6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<4>,5|H<1>}	N[6,6](C[5,3x6]N[5,6,6]2H)(C[6]C[6]HH)2{4|H<1>,6|C<4>}	H(C[6]N[6,6]C[6]H)	109.8183	0.032	7	109.8183	0.001	7	109.8183	0.001	7	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[5,6,6]C[3,5,6]C[5,6]C)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	N[6,6](C[5,6,6]C[3,5,6]C[5,6]C)(C[6]C[6]HH)2{1|C<3>,4|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.2040	0.006	2	109.2040	0.000	2	109.2040	0.000	2	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[3x6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]HH){6|C<4>,6|H<1>}	H(C[6]N[6,6]C[6]H)	109.7135	0.005	2	109.7135	0.000	2	109.7135	0.000	2	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[5,6]C[6,6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[5,6]C[6,6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	H(C[6]N[6,6]C[6]H)	109.2860	0.011	2	109.2860	0.000	2	109.4310	0.013	6	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[5,6]C[6,6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[5,6]C[6,6])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5,6]O[5]C)(C[6]C[6]HH){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.5035	0.015	4	109.5035	0.000	4	109.4310	0.013	6	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]N[3x6]C[6]H)(C[6]C[6]HH){5|C<4>,7|H<1>}	H(C[6]N[6,6]C[6]H)	109.0150	0.158	4	109.0150	0.025	4	109.0715	0.016	8	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6,6]C[6]H)2(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	N[6,6](C[6,6]N[6,6]C[6]H)2(C[6]C[6]HH){5|C<4>,6|H<1>}	H(C[6]N[6,6]C[6]H)	109.1280	0.068	4	109.1280	0.005	4	109.0715	0.016	8	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	N[6,6](C[6,6]C[5,6]2H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	N[6,6](C[6,6]C[5,6]2H)(C[6]C[6]HH)2{1|N<2>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.3530	0.014	2	109.3530	0.000	2	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HO)(H)2	N[6,6](C[6,6]C[5,6]2H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	N[6,6](C[6,6]C[5,6]2H)(C[6]C[6]HH)2{1|N<2>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.9890	0.100	2	109.9890	0.010	2	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HO)(H)2	N[6,6](C[6,6]C[5a,6]C[5,6]H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[5,6]H)(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<3>,2|O<2>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.3305	0.008	2	109.3305	0.000	2	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]CC)(H)2	N[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]CC)(H)2{1|C<4>,3|C<3>,3|H<1>}	N[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6]HH)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]N[6,6]C[6]H)	107.8580	0.035	2	107.8580	0.001	2	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[5,6]H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[5a,6]C[5,6]H)(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<3>,2|O<2>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.1100	0.021	2	109.1100	0.000	2	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.2590	0.011	2	109.2590	0.000	2	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.2848	0.110	4	109.2848	0.012	4	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.6840	0.037	2	109.1435	0.123	12	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.0354	0.269	10	109.1435	0.123	12	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.0670	0.061	2	109.0340	0.005	4	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.0010	0.075	2	109.0340	0.005	4	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.6816	1.192	5	109.5795	0.507	13	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2{1|N<3>,3|C<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.7095	0.009	2	109.5795	0.507	13	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.7085	0.033	2	109.5795	0.507	13	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.3760	0.034	2	109.5795	0.507	13	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.2685	0.047	2	109.5795	0.507	13	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]HH){1|N<3>,4|C<3>,6|H<1>}	H(C[6]N[6,6]C[6]H)	110.0130	0.013	2	110.0130	0.000	2	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	N[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6]HH)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]N[6,6]C[6]H)	110.0560	0.045	2	110.0560	0.002	2	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[5,6]HH)(C[6]C[6]HH){2|H<1>,3|C<4>,4|C<3>}	H(C[6]N[6,6]C[6]H)	109.0900	0.126	3	109.0900	0.016	3	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH){2|C<4>,3|C<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.2590	0.745	2	109.2590	0.555	2	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.8320	0.021	2	109.8320	0.000	2	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]CH)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]CH)(C[6]C[6]HH){4|C<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.8755	0.025	2	109.8755	0.001	2	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	H(C[6]N[6,6]C[6]H)	109.7270	0.007	2	109.7932	0.374	22	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH){4|C<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.7998	0.643	20	109.7932	0.374	22	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.6538	0.085	4	109.8405	0.042	13	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.9893	0.036	3	109.8405	0.042	13	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2{3|C<3>,3|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	109.9380	0.275	4	109.8405	0.042	13	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2{3|C<3>,6|H<1>}	H(C[6]N[6,6]C[6]H)	109.7955	0.013	2	109.8405	0.042	13	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|O<2>,2|H<1>,4|C<3>}	N[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6,6a]C[6a]H)(C[6]C[6]HH){2|H<1>,6|C<3>}	H(C[6]N[6,6]C[6]H)	109.9003	0.208	3	109.9003	0.043	3	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]S[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|S<2>,3|C<3>,3|H<1>}	N[6,6](C[6,6]C[6,6a]S[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH){2|H<1>,4|C<3>}	H(C[6]N[6,6]C[6]H)	109.7837	0.286	4	109.7837	0.082	4	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,5|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2{3|C<3>,3|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	109.1830	0.165	4	109.1830	0.027	4	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	108.9382	0.044	4	108.9401	0.001	8	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|C<3>,3|H<1>,4|C<4>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	108.9420	0.024	4	108.9401	0.001	8	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.8690	0.035	2	109.5447	0.141	4	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.2205	0.019	2	109.5447	0.141	4	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.0600	0.566	3	109.0600	0.321	3	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|O<2>,4|H<1>,5|C<4>}	H(C[6]N[6,6]C[6]H)	108.9778	0.108	5	108.9778	0.012	5	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH){4|C<4>,6|H<1>}	H(C[6]N[6,6]C[6]H)	109.2430	0.017	2	109.2430	0.000	2	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH){4|C<4>,6|H<1>}	H(C[6]N[6,6]C[6]H)	109.3310	0.031	2	109.3310	0.001	2	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.8430	0.000	1	109.7575	0.015	2	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.6720	0.000	1	109.7575	0.015	2	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	N[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,6|H<1>}	H(C[6]N[6,6]C[6]H)	109.4390	0.000	1	109.4390	0.000	1	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[3x6]HH)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[3x6]HH)(C[6]C[6]HH){5|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.2715	0.031	4	109.2715	0.001	4	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,6|H<1>}	H(C[6]N[6,6]C[6]H)	108.7373	1.715	4	108.6528	1.890	18	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){4|C<4>,6|H<1>}	H(C[6]N[6,6]C[6]H)	108.6287	1.338	14	108.6528	1.890	18	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)2{1|C<2>,2|C<4>,2|S<2>,5|H<1>}	H(C[6]N[6,6]C[6]H)	110.0030	1.477	4	110.0030	2.183	4	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2{1|C<4>,1|N<3>,5|H<1>}	H(C[6]N[6,6]C[6]H)	108.0740	0.042	2	108.0740	0.002	2	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2{3|C<3>,6|H<1>}	H(C[6]N[6,6]C[6]H)	109.5360	0.004	2	109.2487	0.156	6	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.1050	0.422	4	109.2487	0.156	6	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH){2|C<4>,2|O<2>,6|H<1>}	H(C[6]N[6,6]C[6]H)	109.1480	0.000	1	109.1307	0.002	3	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH){2|O<2>,3|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.1220	0.057	2	109.1307	0.002	3	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	H(C[6]N[6,6]C[6]H)	108.9245	0.117	6	108.9245	0.014	6	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	N[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.6695	0.667	4	109.7698	0.360	8	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	N[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.8700	0.607	4	109.7698	0.360	8	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6a]C[6]N[6])(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[6,6](C[6,6]C[6a]C[6]N[6])(C[6]C[6]HH)2{1|C<4>,1|N<2>,3|C<3>,5|H<1>}	H(C[6]N[6,6]C[6]H)	107.6575	1.517	2	107.6575	2.301	2	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.1012	0.266	12	109.1053	0.065	13	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){4|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.1540	0.000	1	109.1053	0.065	13	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2Ce)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Ce<13>,1|C<4>,2|N<3>,4|H<1>}	N[6,6](C[6,6]N[6]2Ce)(C[6]C[6]HH)2{2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.6525	0.104	4	109.6525	0.011	4	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2Mn)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Mn<9>,1|C<4>,1|N<3>,1|N<4>,4|H<1>}	N[6,6](C[6,6]N[6]2Mn)(C[6]C[6]HH)2{1|Mn<9>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.5948	0.266	4	109.5948	0.071	4	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2U)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|U<14>,1|C<4>,2|N<3>,4|H<1>}	N[6,6](C[6,6]N[6]2U)(C[6]C[6]HH)2{2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.4601	0.200	7	109.4105	0.340	11	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]N[6]2U)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|U<15>,1|C<4>,2|N<3>,4|H<1>}	N[6,6](C[6,6]N[6]2U)(C[6]C[6]HH)2{2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.3235	1.018	4	109.4105	0.340	11	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2{1|O<2>,2|H<1>,5|C<4>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,7|H<1>}	H(C[6]N[6,6]C[6]H)	110.0490	0.049	2	110.0490	0.002	2	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|N<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.0640	0.013	2	109.0640	0.000	2	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2{1|C<4>,1|S<4>,2|O<2>,6|H<1>}	H(C[6]N[6,6]C[6]H)	108.7095	0.039	2	108.7095	0.002	2	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]N[5a,6]HH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]N[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]N[6,6]C[6]H)	109.7010	0.025	2	109.7010	0.001	2	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(H)2	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2{1|C<4>,1|N<3>,5|H<1>}	H(C[6]N[6,6]C[6]H)	108.5965	0.035	2	108.5965	0.001	2	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(H)2	N[6,6](C[6,6]C[6a]C[6]N[6])(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6,6](C[6,6]C[6a]C[6]N[6])(C[6]C[6]HH)2{1|C<4>,1|N<2>,3|C<3>,5|H<1>}	H(C[6]N[6,6]C[6]H)	111.1235	2.811	2	111.1235	7.900	2	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2{2|O<1>,3|C<4>,3|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2{1|C<4>,1|S<4>,2|O<2>,6|H<1>}	H(C[6]N[6,6]C[6]H)	108.5395	0.045	2	108.5395	0.002	2	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2{2|N<3>,2|O<1>,4|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH){1|C<4>,2|H<1>,2|S<4>}	H(C[6]N[6,6]C[6]H)	109.0880	2.389	2	110.0097	3.219	4	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2{2|N<3>,2|O<1>,4|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]N[6]HH){1|S<4>,2|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	110.9315	0.743	2	110.0097	3.219	4	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]O[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2{1|N<3>,1|O<2>,2|O<1>,4|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]C[6]HH)(C[6]O[6]HH){1|C<4>,1|S<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	108.0005	0.334	2	108.0005	0.112	2	109.3426	0.623	236	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:S[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]S[6])(C[6]C[6,6a]HH)(H)2	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(S[6]C[6]OO)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]S[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(S[6]C[6]OO){2|C<4>,3|C<3>,3|H<1>}	H(C[6]N[6,6]C[6]H)	110.3730	0.011	2	110.3730	0.000	2	110.0134	0.059	8	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:S[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]S[6])(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(S[6]N[6]OO)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]S[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|O<1>,3|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(S[6]N[6]OO){2|C<4>,7|H<1>}	H(C[6]N[6,6]C[6]H)	109.8095	0.006	2	109.8095	0.000	2	110.0134	0.059	8	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:S[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]S[6])(C[6]O[6]HH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(S[6]N[6]OO)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]S[6])(C[6]O[6]HH)(H)2{1|H<1>,1|N<2>,2|C<4>,2|O<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(S[6]N[6]OO){1|C<4>,1|O<2>,6|H<1>}	H(C[6]N[6,6]C[6]H)	109.9355	0.126	4	109.9355	0.016	4	110.0134	0.059	8	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[3x6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6]C[3,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	N[6,6](C[6]C[3,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]HH){1|O<2>,6|C<4>,6|H<1>}	H(C[6]N[6,6]C[6]H)	109.4633	0.017	3	109.4633	0.000	3	109.4633	0.000	3	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.0090	0.004	2	109.0090	0.000	2	109.3736	0.081	13	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	N[6,6](C[6]C[5a,6]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|S<2>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.2960	0.006	2	109.2960	0.000	2	109.3736	0.081	13	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.4377	0.218	4	109.4377	0.048	4	109.3736	0.081	13	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	H(C[6]N[6,6]C[6]H)	109.2533	0.028	3	109.2533	0.001	3	109.3736	0.081	13	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]O[6]HH)(H)2	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH){1|O<2>,4|C<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	109.8680	0.052	2	109.8680	0.003	2	109.3736	0.081	13	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:N[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]NiC)(H)2	N[6,6](C[6,6]P[6,6]HH)(C[6]N[6]HH)2	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]NiC)(H)2{1|N<4>,1|P<4>,6|H<1>}	N[6,6](C[6,6]P[6,6]HH)(C[6]N[6]HH)2{1|Ni<4>,1|Ru<8>,4|C<4>}	H(C[6]N[6,6]N[6]H)	108.6980	0.083	4	108.6980	0.007	4	108.5675	0.022	15	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:N[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]RhC)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)(C[6]P[6]HH)	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]RhC)(H)2{1|N<3>,1|P<4>,6|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)(C[6]P[6]HH){1|Rh<4>,4|C<4>}	H(C[6]N[6,6]N[6]H)	108.4967	0.048	3	108.4967	0.002	3	108.5675	0.022	15	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:N[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]ZnC)(H)2	N[6,6](C[6,6]P[6,6]HH)(C[6]N[6]HH)2	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]ZnC)(H)2{1|N<4>,1|P<4>,6|H<1>}	N[6,6](C[6,6]P[6,6]HH)(C[6]N[6]HH)2{1|Ru<8>,1|Zn<4>,4|C<4>}	H(C[6]N[6,6]N[6]H)	108.6573	0.045	4	108.5289	0.027	8	108.5675	0.022	15	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:N[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]ZnC)(H)2	N[6,6](C[6,6]P[6,6]HH)(C[6]N[6]HH)2	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]ZnC)(H)2{1|N<4>,1|P<4>,6|H<1>}	N[6,6](C[6,6]P[6,6]HH)(C[6]N[6]HH)2{1|Ru<8>,1|Zn<6>,4|C<4>}	H(C[6]N[6,6]N[6]H)	108.4005	0.134	4	108.5289	0.027	8	108.5675	0.022	15	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:P[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(P[6]C[6]RhC)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)(C[6]P[6]HH)	H(C[6]N[6,6]P[6]H)	C[6](N[6,6]C[6,6]C[6])(P[6]C[6]RhC)(H)2{1|N<3>,1|N<4>,6|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]N[6]HH)(C[6]P[6]HH){1|Rh<4>,4|C<4>}	H(C[6]N[6,6]P[6]H)	109.5405	0.122	4	109.5405	0.015	4	109.1476	0.063	28	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:P[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(P[6]C[6a]C[6]Fe)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]P[6]HH)2	H(C[6]N[6,6]P[6]H)	C[6](N[6,6]C[6,6]C[6])(P[6]C[6a]C[6]Fe)(H)2{1|N<3>,1|P<4>,2|C<3>,6|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]P[6]HH)2{1|Fe<6>,2|C<3>,2|C<4>}	H(C[6]N[6,6]P[6]H)	109.1130	0.212	8	109.0821	0.041	24	109.1476	0.063	28	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:P[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(P[6]C[6a]C[6]Fe)(H)2	N[6,6](C[6,6]N[6,6]HH)(C[6]P[6]HH)2	H(C[6]N[6,6]P[6]H)	C[6](N[6,6]C[6,6]C[6])(P[6]C[6a]C[6]Fe)(H)2{1|N<3>,1|P<4>,2|C<3>,6|H<1>}	N[6,6](C[6,6]N[6,6]HH)(C[6]P[6]HH)2{1|Fe<7>,2|C<3>,2|C<4>}	H(C[6]N[6,6]P[6]H)	109.0666	0.203	16	109.0821	0.041	24	109.1476	0.063	28	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	4:4:4:	4:	N[6,6]-3:Si[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(Si[6]O[6]CC)(H)2	N[6,6](C[6,6]C[6]2C)(C[6]Si[6]HH)2	H(C[6]N[6,6]Si[6]H)	C[6](N[6,6]C[6,6]C[6])(Si[6]O[6]CC)(H)2{1|Si<4>,2|H<1>,3|C<4>}	N[6,6](C[6,6]C[6]2C)(C[6]Si[6]HH)2{2|O<2>,4|C<4>,4|H<1>}	H(C[6]N[6,6]Si[6]H)	107.5418	4.035	4	107.5418	16.278	4	107.5418	16.278	4	109.2220	0.842	546	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:1:1:	5:4:4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	In[3x6]-5:P[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]In[3x6]P[6])(C[6]C[6]CC)(H)2	N[6,6](In[3x6]N[6,6]O[6]2O)(P[6]C[6,6a]C[6a]2)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]In[3x6]P[6])(C[6]C[6]CC)(H)2{1|N<3>,2|H<1>,3|C<3>,3|O<2>}	N[6,6](In[3x6]N[6,6]O[6]2O)(P[6]C[6,6a]C[6a]2)(C[6]C[6]HH){1|P<4>,3|C<4>,7|C<3>}	H(C[6]N[6,6]C[6]H)	108.9202	0.211	4	108.9202	0.044	4	108.9202	0.044	4	108.9202	0.044	4	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:2:1:	3:4:3:	4:	N[6,6]-3:C[6]-4:C-2:H-1:	N[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(CN)(H)	N[6,6](N[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]O)	H(C[6]N[6,6]C[6]C)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(CN)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6,6](N[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]C)	108.5370	0.000	1	108.5370	0.000	1	108.5370	0.000	1	108.5370	0.000	1	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:2:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:C-2:H-1:	C[6,6]-4:C[6]-4:N[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]N[6])(C[6]C[6]HH)(CN)(H)	N[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(N[6]C[6]C)	H(C[6]N[6,6]C[6]C)	C[6](N[6,6]C[6,6]N[6])(C[6]C[6]HH)(CN)(H){1|O<2>,3|C<4>,3|H<1>}	N[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]CH)(N[6]C[6]C){3|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]C)	106.0873	4.969	3	106.0873	24.694	3	106.0873	24.694	3	106.0873	24.694	3	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:3:1:	4:4:3:	4:	N[6,6]-3:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(COO)(H)	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O)	H(C[6]N[6,6]C[6]C)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(COO)(H){1|O<1>,2|C<3>,3|C<4>}	N[6,6](C[6,6]C[5a,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]N[6,6]C[6]C)	112.6600	0.000	1	112.6600	0.000	1	112.6600	0.000	1	112.6600	0.000	1	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:3:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(C[6]C[6]2)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]2H)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]2)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(C[6]C[6]2)(H){1|N<3>,4|C<4>,8|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]2H)(C[6]C[6]HH){1|C<3>,5|C<4>,6|H<1>}	H(C[6]N[6,6]C[6]2)	108.3255	0.179	2	108.3255	0.032	2	108.3255	0.032	2	108.3255	0.032	2	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:4:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]C)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(CHHO)(H){2|C<3>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]C)	107.5973	0.792	4	107.5973	0.627	4	107.4961	1.388	14	107.6369	1.233	19	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:4:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]C)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)(H){1|C<3>,2|C<4>,5|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]C)	107.2310	0.000	1	107.2310	0.000	1	107.4961	1.388	14	107.6369	1.233	19	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:4:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH)	H(C[6]N[6,6]C[6]C)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH){1|N<3>,3|C<4>,6|H<1>}	H(C[6]N[6,6]C[6]C)	106.2433	0.022	3	106.2920	0.010	4	107.4961	1.388	14	107.6369	1.233	19	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:4:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH)	H(C[6]N[6,6]C[6]C)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH){1|O<2>,3|C<4>,6|H<1>}	H(C[6]N[6,6]C[6]C)	106.4380	0.000	1	106.2920	0.010	4	107.4961	1.388	14	107.6369	1.233	19	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:4:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(CCHH)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]C)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(CCHH)(H){2|C<3>,2|C<4>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	H(C[6]N[6,6]C[6]C)	106.8150	0.000	1	106.8150	0.000	1	107.4961	1.388	14	107.6369	1.233	19	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:4:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CHHO)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]C)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(CHHO)(H){1|O<2>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	H(C[6]N[6,6]C[6]C)	109.2963	0.141	3	109.2963	0.020	3	107.4961	1.388	14	107.6369	1.233	19	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:4:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]O[6]HH)(CC[6a]HH)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]C)	C[6](N[6,6]C[6,6]C[6])(C[6]O[6]HH)(CC[6a]HH)(H){3|C<4>,3|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,7|H<1>}	H(C[6]N[6,6]C[6]C)	107.4530	0.000	1	107.4530	0.000	1	107.4961	1.388	14	107.6369	1.233	19	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:4:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]HH)(H)	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]CH)	H(C[6]N[6,6]C[6]C)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]CH){1|C<4>,4|C<3>,4|H<1>}	H(C[6]N[6,6]C[6]C)	108.9775	0.028	2	108.9775	0.001	2	108.1985	0.843	4	107.6369	1.233	19	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:4:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]O[6]HH)(CC[6a]HH)(H)	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]CH)	H(C[6]N[6,6]C[6]C)	C[6](N[6,6]C[6,6]C[6])(C[6]O[6]HH)(CC[6a]HH)(H){1|C<3>,2|H<1>,3|C<4>}	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,7|H<1>}	H(C[6]N[6,6]C[6]C)	107.4195	0.319	2	107.4195	0.102	2	108.1985	0.843	4	107.6369	1.233	19	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	3:4:4:1:	4:4:4:	4:	N[6,6]-3:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:S[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]S[6])(C[6]C[6]2H)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]2H)(S[6]O[6]OO)	H(C[6]N[6,6]C[6]2)	C[6](N[6,6]C[6,6]S[6])(C[6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,3|O<1>,5|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]2H)(S[6]O[6]OO){2|C<4>,3|C<3>,5|H<1>}	H(C[6]N[6,6]C[6]2)	107.3620	0.000	1	107.3620	0.000	1	107.3620	0.000	1	107.6369	1.233	19	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]O)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[3x6]C[6]O)(N[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<4>,1|O<1>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]N[6,6]H)	108.7605	0.011	2	108.7605	0.000	2	108.7605	0.000	2	108.7605	0.000	2	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:3:1:1:	4:4:4:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]2)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[3x6]HH)(C[6]C[6]HH)	H(C[6]C[3x6]N[6,6]H)	C[6](C[3x6]C[3x6]C[6]2)(N[6,6]C[6,6]C[6])(H)2{1|O<2>,5|C<4>,8|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[3x6]HH)(C[6]C[6]HH){5|C<4>,5|H<1>}	H(C[6]C[3x6]N[6,6]H)	108.6677	0.060	4	108.6677	0.004	4	108.6677	0.004	4	109.4503	0.246	72	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)	H(C[6]C[5,6]N[6,6]H)	C[6](C[5,6]C[5,6]C[5]C)(N[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<4>,3|C<3>,5|H<1>}	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[5,6]HH)(C[6]C[6]HH){2|H<1>,3|C<4>,4|C<3>}	H(C[6]C[5,6]N[6,6]H)	109.6357	0.025	3	109.6357	0.001	3	109.8180	0.231	16	109.4503	0.246	72	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)	H(C[6]C[5,6]N[6,6]H)	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(H)2{4|C<4>,7|H<1>}	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH){4|C<4>,6|H<1>}	H(C[6]C[5,6]N[6,6]H)	109.4650	0.000	1	109.4650	0.000	1	109.8180	0.231	16	109.4503	0.246	72	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]N)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH)	H(C[6]C[5,6]N[6,6]H)	C[6](C[5,6]C[5,6]C[5]N)(N[6,6]C[6,6]C[6])(H)2{1|O<2>,4|H<1>,6|C<4>}	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH){1|N<3>,3|C<4>,6|H<1>}	H(C[6]C[5,6]N[6,6]H)	110.0590	0.063	6	110.0590	0.004	6	109.8180	0.231	16	109.4503	0.246	72	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH)	H(C[6]C[5,6]N[6,6]H)	C[6](C[5,6]C[5,6]C[5]O)(N[6,6]C[6,6]C[6])(H)2{1|O<2>,4|H<1>,6|C<4>}	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH){1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[5,6]N[6,6]H)	110.1700	0.033	2	110.1700	0.001	2	109.8180	0.231	16	109.4503	0.246	72	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)	H(C[6]C[5,6]N[6,6]H)	C[6](C[5,6]C[5,6]O[5]C)(N[6,6]C[6,6]C[6])(H)2{2|C<3>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[5,6]N[6,6]H)	108.7580	0.016	2	108.7580	0.000	2	109.8180	0.231	16	109.4503	0.246	72	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)	H(C[6]C[5,6]N[6,6]H)	C[6](C[5,6]C[5,6]O[5]H)(N[6,6]C[6,6]C[6])(H)2{1|O<2>,4|C<4>,4|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH){2|C<4>,2|O<2>,6|H<1>}	H(C[6]C[5,6]N[6,6]H)	110.2300	0.000	1	110.2530	0.001	2	109.8180	0.231	16	109.4503	0.246	72	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH)	H(C[6]C[5,6]N[6,6]H)	C[6](C[5,6]C[5,6]O[5]H)(N[6,6]C[6,6]C[6])(H)2{1|O<2>,4|C<4>,4|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]HH){2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[5,6]N[6,6]H)	110.2760	0.000	1	110.2530	0.001	2	109.8180	0.231	16	109.4503	0.246	72	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|N<3>,4|C<4>,6|H<1>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]N[6,6]H)	109.1750	0.208	11	109.1601	0.037	13	109.1625	0.057	36	109.4503	0.246	72	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|N<3>,4|C<4>,6|H<1>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){4|C<4>,5|H<1>}	H(C[6]C[6,6]N[6,6]H)	109.0780	0.021	2	109.1601	0.037	13	109.1625	0.057	36	109.4503	0.246	72	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(N[6,6]C[6,6]C[6])(H)2{5|H<1>,6|C<4>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|O<2>,4|H<1>,5|C<4>}	H(C[6]C[6,6]N[6,6]H)	109.1787	0.168	6	109.1787	0.028	6	109.1625	0.057	36	109.4503	0.246	72	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|C<3>,4|C<4>,6|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]N[6,6]H)	108.8958	0.168	5	109.1084	0.080	11	109.1625	0.057	36	109.4503	0.246	72	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<3>,3|C<4>,5|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]N[6,6]H)	109.3990	0.035	2	109.1084	0.080	11	109.1625	0.057	36	109.4503	0.246	72	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{2|C<3>,3|C<4>,6|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]N[6,6]H)	108.9875	0.009	2	109.1084	0.080	11	109.1625	0.057	36	109.4503	0.246	72	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{2|C<3>,4|C<4>,5|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]N[6,6]H)	109.4700	0.052	2	109.1084	0.080	11	109.1625	0.057	36	109.4503	0.246	72	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]N[6,6]H)	109.1350	0.054	2	109.1350	0.003	2	109.1625	0.057	36	109.4503	0.246	72	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|O<2>,4|H<1>,5|C<4>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]HH){1|N<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[6]C[6,6]N[6,6]H)	109.3090	0.406	4	109.3090	0.164	4	109.1625	0.057	36	109.4503	0.246	72	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6,6]C[6,6]2)(H)2	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](C[6]C[6,6a]HH)(N[6,6]C[6,6]2)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	H(C[6]N[6,6]C[6]H)	109.9735	0.019	2	110.0403	0.006	4	109.9259	0.050	16	109.4503	0.246	72	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6,6]C[6,6]2)(H)2	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](C[6]C[6,6a]HH)(N[6,6]C[6,6]2)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH){1|C<4>,1|S<4>,3|H<1>,5|C<3>}	H(C[6]N[6,6]C[6]H)	110.1070	0.017	2	110.0403	0.006	4	109.9259	0.050	16	109.4503	0.246	72	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6,6]C[6,6]2)(H)2	N[6,6](C[6,6]C[6,6a]N[6,6]H)2(C[6]C[6]HH)	H(C[6]N[6,6]C[6]H)	C[6](C[6]C[6,6a]HH)(N[6,6]C[6,6]2)(H)2{2|H<1>,2|N<3>,3|C<3>}	N[6,6](C[6,6]C[6,6a]N[6,6]H)2(C[6]C[6]HH){2|H<1>,3|C<4>,4|C<3>}	H(C[6]N[6,6]C[6]H)	109.8878	0.246	12	109.8878	0.061	12	109.9259	0.050	16	109.4503	0.246	72	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:3:2:1:	4:4:4:	4:	C[3,6]-4:N[6,6]-3:C-2:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[6]O[3])(N[6,6]C[3x6]C[6])(CN)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6]C[3,6]CH)(C[6]C[6]HH)	H(C[6]C[3,6]N[6,6]C)	C[6](C[3,6]C[3,6]C[6]O[3])(N[6,6]C[3x6]C[6])(CN)(H){1|N<3>,4|C<4>,5|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6]C[3,6]CH)(C[6]C[6]HH){1|O<2>,4|H<1>,5|C<4>}	H(C[6]C[3,6]N[6,6]C)	107.4535	0.199	2	107.4535	0.039	2	107.4535	0.039	2	107.7203	0.233	3	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:3:2:1:	4:4:4:	4:	C[6,6]-4:N[6,6]-3:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(OH)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(C[6]C[6,6]HO)	H(C[6]C[6,6]N[6,6]O)	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(OH)(H){2|C<3>,4|C<4>,4|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(C[6]C[6,6]HO){1|C<4>,1|N<3>,1|S<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6]N[6,6]O)	108.2540	0.000	1	108.2540	0.000	1	108.2540	0.000	1	107.7203	0.233	3	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:3:3:1:	4:4:4:	4:	C[6,6]-4:N[6,6]-3:C[6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[3x6]C[6])(C[6]C[6]2)(H)	N[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]C[6,6]C[6]H)(C[6]C[6]HH)	H(C[6]C[6,6]N[6,6]C[6])	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[3x6]C[6])(C[6]C[6]2)(H){2|N<3>,5|C<4>,9|H<1>}	N[6,6](C[3x6]C[6,6]N[3x6]H)(C[6]C[6,6]C[6]H)(C[6]C[6]HH){1|C<3>,4|H<1>,6|C<4>}	H(C[6]C[6,6]N[6,6]C[6])	108.9300	0.000	1	108.9300	0.000	1	108.9300	0.000	1	108.2990	0.796	2	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:3:3:1:	4:4:4:	4:	C[6]-4:N[6,6]-3:C[6a]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)	H(C[6]N[6,6]C[6a]C[6])	C[6](C[6]C[6,6a]C[6a]H)(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,7|C<3>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6,6a]HH){2|H<1>,8|C<3>}	H(C[6]N[6,6]C[6a]C[6])	107.6680	0.000	1	107.6680	0.000	1	107.6680	0.000	1	108.2990	0.796	2	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:3:4:1:	4:4:4:	4:	C[3,6]-4:N[6,6]-3:C[6]-4:H-1:	C[6]-4:C[3x6]-4:C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[6]O[3])(N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)	N[6,6](C[6]C[3,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]HH)	H(C[6]C[3,6]N[6,6]C[6])	C[6](C[3,6]C[3,6]C[6]O[3])(N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H){1|C<2>,1|N<3>,4|C<4>,7|H<1>}	N[6,6](C[6]C[3,6]C[6]H)(C[3x6]C[6,6]2H)(C[6]C[6]HH){1|O<2>,6|C<4>,6|H<1>}	H(C[6]C[3,6]N[6,6]C[6])	108.4260	0.177	2	108.4260	0.031	2	108.4260	0.031	2	107.2472	2.269	5	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:3:4:1:	4:4:4:	4:	C[5,6]-4:N[6,6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(CCHH)(H)	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH)	H(C[6]C[5,6]N[6,6]C)	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(CCHH)(H){4|C<4>,7|H<1>}	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]CH)(C[6]C[6]HH){4|C<4>,6|H<1>}	H(C[6]C[5,6]N[6,6]C)	108.1720	0.000	1	108.1720	0.000	1	108.1720	0.000	1	107.2472	2.269	5	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6,6]	H	4:3:4:1:	4:4:4:	4:	C[6,6]-4:N[6,6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(CHHO)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH)	H(C[6]C[6,6]N[6,6]C)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(CHHO)(H){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]N[6,6]C)	105.6060	0.148	2	105.6060	0.022	2	105.6060	0.022	2	107.2472	2.269	5	109.1007	1.131	1107	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	2:3:1:1:	4:4:1:	4:	N[6]-2:N[6]-3:H-1:H-1:	S[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a])(N[6]S[6]H)(H)2	N[6](S[6]C[6,6a]OO)(C[6]N[6]HH)(H)	H(C[6]N[6]2H)	C[6](N[6]C[6,6a])(N[6]S[6]H)(H)2{2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]N[6]HH)(H){2|C<3>}	H(C[6]N[6]2H)	109.2280	0.018	2	109.2280	0.000	2	109.2280	0.000	2	109.2280	0.000	2	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	2:3:1:1:	4:4:3:	4:	N[6]-2:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](N[6]C[6,6])(N[6]C[6]N)(H)2	N[6](C[6]N[6,6]HH)(C[6]N[6]HH)(NOO)	H(C[6]N[6]2H)	C[6](N[6]C[6,6])(N[6]C[6]N)(H)2{1|C<4>,1|N<3>,2|H<1>}	N[6](C[6]N[6,6]HH)(C[6]N[6]HH)(NOO){1|C<3>,1|C<4>}	H(C[6]N[6]2H)	108.7100	0.014	2	108.7100	0.000	2	108.7100	0.000	2	108.7100	0.000	2	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	2:3:1:1:	4:4:4:	4:	O[6]-2:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCCH)	H(C[6]N[6]O[6]H)	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCCH){2|C<3>}	H(C[6]N[6]O[6]H)	108.7597	3.579	4	108.7597	12.809	4	108.9976	1.391	45	108.9976	1.391	45	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	2:3:1:1:	4:4:4:	4:	O[6]-2:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCHH)	H(C[6]N[6]O[6]H)	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCHH){2|C<3>}	H(C[6]N[6]O[6]H)	108.9475	0.298	28	108.9475	0.089	28	108.9976	1.391	45	108.9976	1.391	45	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	2:3:1:1:	4:4:4:	4:	O[6]-2:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CC[6a]CH)	H(C[6]N[6]O[6]H)	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CC[6a]CH){2|C<3>}	H(C[6]N[6]O[6]H)	111.4720	2.662	2	111.4720	7.084	2	108.9976	1.391	45	108.9976	1.391	45	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	2:3:1:1:	4:4:4:	4:	O[6]-2:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CC[6a]HH)	H(C[6]N[6]O[6]H)	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CC[6a]HH){2|C<3>}	H(C[6]N[6]O[6]H)	108.7919	0.100	7	108.7919	0.010	7	108.9976	1.391	45	108.9976	1.391	45	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	2:3:1:1:	4:4:4:	4:	O[6]-2:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CH3)	H(C[6]N[6]O[6]H)	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CH3){2|C<3>}	H(C[6]N[6]O[6]H)	108.7097	0.114	4	108.7097	0.013	4	108.9976	1.391	45	108.9976	1.391	45	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	2:3:3:1:	4:4:4:	4:	O[6]-2:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](O[6]C[6,6])(N[6]C[6]S)(CCH)(H)	N[6](C[6]C[6,6]CC)(C[6]O[6]CH)(SC[6a]OO)	H(C[6]N[6]O[6]C)	C[6](O[6]C[6,6])(N[6]C[6]S)(CCH)(H){1|H<1>,4|C<4>}	N[6](C[6]C[6,6]CC)(C[6]O[6]CH)(SC[6a]OO){1|H<1>,2|C<4>}	H(C[6]N[6]O[6]C)	105.6650	0.000	1	105.6650	0.000	1	106.4090	1.107	2	106.4090	1.107	2	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	2:3:3:1:	4:4:4:	4:	O[6]-2:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](O[6]C[6,6a])(N[6]C[6]S)(CCO)(H)	N[6](C[6]C[6,6a]HN)(C[6]O[6]CH)(SC[6a]OO)	H(C[6]N[6]O[6]C)	C[6](O[6]C[6,6a])(N[6]C[6]S)(CCO)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]C[6,6a]HN)(C[6]O[6]CH)(SC[6a]OO){2|C<3>}	H(C[6]N[6]O[6]C)	107.1530	0.000	1	107.1530	0.000	1	106.4090	1.107	2	106.4090	1.107	2	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	2:3:4:1:	4:4:1:	4:	O[6]-2:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(N[6]C[6]H)(CCHH)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CH)(H)	H(C[6]N[6]O[6]C)	C[6](O[6]C[6,6a])(N[6]C[6]H)(CCHH)(H){1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CH)(H){4|C<3>}	H(C[6]N[6]O[6]C)	108.5140	0.000	1	108.5140	0.000	1	108.5140	0.000	1	108.5140	0.000	1	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	2:3:4:1:	4:4:4:	4:	O[6]-2:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](O[6]C[6,6a])(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CH)(CCHH)	H(C[6]N[6]O[6]C)	C[6](O[6]C[6,6a])(N[6]C[6]C)(CH3)(H){1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CH)(CCHH){4|C<3>}	H(C[6]N[6]O[6]C)	107.2970	0.000	1	107.2970	0.000	1	107.2970	0.000	1	107.2970	0.000	1	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:2:1:1:	3:4:4:	4:	N[6]-3:O[6]-2:H-1:H-1:	C[5a,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[5a,6]C)(O[6]C[6])(H)2	N[6](C[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(CC[6a]HH)	H(C[6]N[6]O[6]H)	C[6](N[6]C[5a,6]C)(O[6]C[6])(H)2{1|C<3>,1|N<3>,2|H<1>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(CC[6a]HH){1|C<4>,1|N<2>,2|C<3>}	H(C[6]N[6]O[6]H)	108.9832	0.012	5	108.9832	0.000	5	108.9832	0.000	5	109.0320	0.004	9	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:2:1:1:	3:4:4:	4:	N[6]-3:O[6]-2:H-1:H-1:	N[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]N[6,6a]C)(O[6]C[6,6a])(H)2	N[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]O[6]HH)(CH3)	H(C[6]N[6]O[6]H)	C[6](N[6]N[6,6a]C)(O[6]C[6,6a])(H)2{3|C<3>}	N[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]O[6]HH)(CH3){1|H<1>,3|C<3>}	H(C[6]N[6]O[6]H)	109.0975	0.046	2	109.0975	0.002	2	109.0975	0.002	2	109.0320	0.004	9	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:2:1:1:	3:4:4:	4:	N[6]-3:S[6]-2:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(S[6]C[6])(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]S[6]HH)	H(C[6]N[6]S[6]H)	C[6](N[6]C[6a]C[6])(S[6]C[6])(H)2{1|S<2>,2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]S[6]HH){2|H<1>,4|C<3>}	H(C[6]N[6]S[6]H)	109.0885	0.013	2	109.0885	0.000	2	109.0885	0.000	2	109.0320	0.004	9	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:2:1:1:	4:3:4:	4:	N[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(O[6]C[6,6])(H)2	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]O[6]HH)	H(C[6]N[6]O[6]H)	C[6](N[6]C[6a]C[6])(O[6]C[6,6])(H)2{2|H<1>,4|C<3>}	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]O[6]HH){2|H<1>,4|C<3>}	H(C[6]N[6]O[6]H)	108.9720	0.051	2	108.9720	0.003	2	108.8263	0.029	4	108.8263	0.029	4	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:2:1:1:	4:3:4:	4:	N[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(H)2	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH)	H(C[6]N[6]O[6]H)	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(H)2{2|H<1>,4|C<3>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH){2|H<1>,4|C<3>}	H(C[6]N[6]O[6]H)	108.6805	0.026	2	108.6805	0.001	2	108.8263	0.029	4	108.8263	0.029	4	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:2:1:1:	4:4:1:	4:	N[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6]H)(O[6]C[6])(H)2	N[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(H)	H(C[6]N[6]O[6]H)	C[6](N[6]C[6]H)(O[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]N[6]O[6]H)	108.7425	0.009	2	108.7425	0.000	2	108.7425	0.000	2	108.7425	0.000	2	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:2:1:1:	4:4:3:	4:	N[6]-3:N[6]-2:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](N[6]C[6]N)(N[6]C[6])(H)2	N[6](C[6]N[6]HH)2(NOO)	H(C[6]N[6]2H)	C[6](N[6]C[6]N)(N[6]C[6])(H)2{1|C<4>,1|N<3>,2|H<1>}	N[6](C[6]N[6]HH)2(NOO){1|C<3>,1|H<1>}	H(C[6]N[6]2H)	108.7580	0.120	4	108.7811	0.035	9	108.7811	0.035	9	108.7811	0.035	9	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:2:1:1:	4:4:3:	4:	N[6]-3:N[6]-2:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](N[6]C[6]N)(N[6]C[6])(H)2	N[6](C[6]N[6]HH)2(NOO)	H(C[6]N[6]2H)	C[6](N[6]C[6]N)(N[6]C[6])(H)2{1|C<4>,1|N<3>,2|H<1>}	N[6](C[6]N[6]HH)2(NOO){1|C<3>,1|N<2>}	H(C[6]N[6]2H)	109.0615	0.016	2	108.7811	0.035	9	108.7811	0.035	9	108.7811	0.035	9	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:2:1:1:	4:4:3:	4:	N[6]-3:N[6]-2:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](N[6]C[6]N)(N[6]C[6])(H)2	N[6](C[6]N[6]HH)2(NOO)	H(C[6]N[6]2H)	C[6](N[6]C[6]N)(N[6]C[6])(H)2{1|C<4>,1|N<3>,2|H<1>}	N[6](C[6]N[6]HH)2(NOO){1|C<3>,1|N<3>}	H(C[6]N[6]2H)	108.6250	0.030	3	108.7811	0.035	9	108.7811	0.035	9	108.7811	0.035	9	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:2:1:1:	4:4:4:	4:	N[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6]C)(O[6]C[6])(H)2	N[6](C[6]C[6]HH)(C[6]O[6]HH)(CC[6a]HH)	H(C[6]N[6]O[6]H)	C[6](N[6]C[6]C)(O[6]C[6])(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]O[6]HH)(CC[6a]HH){1|C<4>,2|H<1>}	H(C[6]N[6]O[6]H)	109.3995	0.030	2	109.3995	0.001	2	109.3995	0.001	2	109.3185	0.056	6	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:2:1:1:	4:4:4:	4:	N[6]-3:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6]S)(O[6]C[6])(H)2	N[6](C[6]C[6]CH)(C[6]O[6]HH)(SC[6a]OO)	H(C[6]N[6]O[6]H)	C[6](N[6]C[6]S)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]O[6]HH)(SC[6a]OO){1|H<1>,2|C<4>}	H(C[6]N[6]O[6]H)	109.5250	0.027	2	109.5250	0.001	2	109.5250	0.001	2	109.3185	0.056	6	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:2:1:1:	4:4:4:	4:	N[6]-3:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6]C)(S[6]C[6])(H)2	N[6](C[6]N[6]HH)(C[6]S[6]HH)(CCHH)	H(C[6]N[6]S[6]H)	C[6](N[6]C[6]C)(S[6]C[6])(H)2{1|N<3>,1|S<1>,2|H<1>}	N[6](C[6]N[6]HH)(C[6]S[6]HH)(CCHH){1|C<3>,1|C<4>}	H(C[6]N[6]S[6]H)	108.9420	0.000	1	109.0310	0.016	2	109.0310	0.016	2	109.3185	0.056	6	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:2:1:1:	4:4:4:	4:	N[6]-3:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6]C)(S[6]C[6])(H)2	N[6](C[6]N[6]HH)(C[6]S[6]HH)(CCHH)	H(C[6]N[6]S[6]H)	C[6](N[6]C[6]C)(S[6]C[6])(H)2{1|N<3>,1|S<1>,2|H<1>}	N[6](C[6]N[6]HH)(C[6]S[6]HH)(CCHH){2|C<3>}	H(C[6]N[6]S[6]H)	109.1200	0.000	1	109.0310	0.016	2	109.0310	0.016	2	109.3185	0.056	6	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:2:3:1:	4:4:1:	4:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]O[6]H)(H)	H(C[6]C[6a]N[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H){2|H<1>,6|C<3>}	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]O[6]H)(H){6|C<3>}	H(C[6]C[6a]N[6]O[6])	108.5510	0.000	1	108.5510	0.000	1	108.7889	0.480	8	108.9759	0.735	9	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:2:3:1:	4:4:1:	4:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H)	H(C[6]C[6a]N[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H){1|Cl<1>,2|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H){6|C<3>}	H(C[6]C[6a]N[6]O[6])	109.7290	0.000	1	108.7590	0.625	6	108.7889	0.480	8	108.9759	0.735	9	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:2:3:1:	4:4:1:	4:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H)	H(C[6]C[6a]N[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H){1|N<2>,3|H<1>,4|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H){6|C<3>}	H(C[6]C[6a]N[6]O[6])	108.6920	0.000	1	108.7590	0.625	6	108.7889	0.480	8	108.9759	0.735	9	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:2:3:1:	4:4:1:	4:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H)	H(C[6]C[6a]N[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H){2|Cl<1>,1|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H){6|C<3>}	H(C[6]C[6a]N[6]O[6])	107.3880	0.000	1	108.7590	0.625	6	108.7889	0.480	8	108.9759	0.735	9	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:2:3:1:	4:4:1:	4:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H)	H(C[6]C[6a]N[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H){3|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H){6|C<3>}	H(C[6]C[6a]N[6]O[6])	108.9150	0.336	3	108.7590	0.625	6	108.7889	0.480	8	108.9759	0.735	9	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:2:3:1:	4:4:1:	4:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H)	N[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CC)(H)	H(C[6]C[6a]N[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H){2|H<1>,6|C<3>}	N[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CC)(H){4|C<3>}	H(C[6]C[6a]N[6]O[6])	109.2060	0.000	1	109.2060	0.000	1	108.7889	0.480	8	108.9759	0.735	9	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:2:3:1:	4:4:1:	4:	C[6a]-3:S[6]-2:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]S[6]H)(H)	H(C[6]C[6a]N[6]S[6])	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(N[6]C[6]H)(H){1|Cl<1>,1|S<2>,2|H<1>,4|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]S[6]H)(H){6|C<3>}	H(C[6]C[6a]N[6]S[6])	110.4720	0.000	1	110.4720	0.000	1	110.4720	0.000	1	108.9759	0.735	9	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:2:3:1:	4:4:3:	4:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]N)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(NHS)	H(C[6]C[6a]N[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]N)(H){3|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(NHS){6|C<3>}	H(C[6]C[6a]N[6]O[6])	107.9920	0.000	1	107.9920	0.000	1	107.9920	0.000	1	107.9920	0.000	1	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:2:3:1:	4:4:4:	4:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(CCHH)	H(C[6]C[6a]N[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(H){3|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(CCHH){6|C<3>}	H(C[6]C[6a]N[6]O[6])	107.0260	0.000	1	107.0260	0.000	1	107.2965	0.146	2	107.1455	0.625	4	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:2:3:1:	4:4:4:	4:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(CC[6a]HH)	H(C[6]C[6a]N[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(H){3|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(CC[6a]HH){6|C<3>}	H(C[6]C[6a]N[6]O[6])	107.5670	0.000	1	107.5670	0.000	1	107.2965	0.146	2	107.1455	0.625	4	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:2:3:1:	4:4:4:	4:	C[6a]-3:S[6]-2:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]S[6]H)(CC[6a]HH)	H(C[6]C[6a]N[6]S[6])	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(N[6]C[6]C)(H){1|S<2>,3|H<1>,4|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]S[6]H)(CC[6a]HH){6|C<3>}	H(C[6]C[6a]N[6]S[6])	106.0900	0.000	1	106.0900	0.000	1	106.0900	0.000	1	107.1455	0.625	4	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:2:3:1:	4:4:4:	4:	N[6]-3:O[6]-2:C-3:H-1:	C[5,6,6]-4:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[5,6,6]S)(O[6]C[6])(CC[6a]O)(H)	N[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]O[6]CH)(SC[6a]OO)	H(C[6]N[6]O[6]C)	C[6](N[6]C[5,6,6]S)(O[6]C[6])(CC[6a]O)(H){2|C<4>,3|H<1>}	N[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]O[6]CH)(SC[6a]OO){2|H<1>,4|C<4>}	H(C[6]N[6]O[6]C)	107.8990	0.000	1	107.8990	0.000	1	107.8990	0.000	1	107.1455	0.625	4	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:2:4:1:	4:4:1:	4:	N[6]-3:O[6]-2:C-4:H-1:	C[5,5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[5,5,6]H)(O[6]C[6])(CH3)(H)	N[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]O[6]CH)(H)	H(C[6]N[6]O[6]C)	C[6](N[6]C[5,5,6]H)(O[6]C[6])(CH3)(H){2|H<1>,3|C<4>}	N[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]O[6]CH)(H){2|O<2>,3|C<4>,4|H<1>}	H(C[6]N[6]O[6]C)	108.9810	0.000	1	108.9810	0.000	1	108.9810	0.000	1	108.3980	0.191	4	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:2:4:1:	4:4:1:	4:	N[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6]H)(O[6]C[6])(CCCH)(H)	N[6](C[6]C[5a]C[6]H)(C[6]O[6]CH)(H)	H(C[6]N[6]O[6]C)	C[6](N[6]C[6]H)(O[6]C[6])(CCCH)(H){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[5a]C[6]H)(C[6]O[6]CH)(H){1|N<2>,1|N<3>,3|C<4>}	H(C[6]N[6]O[6]C)	108.0750	0.143	2	108.0750	0.020	2	108.2037	0.060	3	108.3980	0.191	4	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:2:4:1:	4:4:1:	4:	N[6]-3:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6]H)(O[6]C[6])(CHHO)(H)	N[6](C[6]C[6]CH)(C[6]O[6]CH)(H)	H(C[6]N[6]O[6]C)	C[6](N[6]C[6]H)(O[6]C[6])(CHHO)(H){2|H<1>,3|C<4>}	N[6](C[6]C[6]CH)(C[6]O[6]CH)(H){1|H<1>,2|C<4>}	H(C[6]N[6]O[6]C)	108.4610	0.000	1	108.4610	0.000	1	108.2037	0.060	3	108.3980	0.191	4	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:2:4:1:	4:4:3:	4:	N[6]-3:N[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6]C)(N[6]C[6])(CC3)(H)	N[6](C[6]C[6]CH)(C[6]N[6]CH)(CC[6a]O)	H(C[6]N[6]2C)	C[6](N[6]C[6]C)(N[6]C[6])(CC3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[6](C[6]C[6]CH)(C[6]N[6]CH)(CC[6a]O){1|C<3>,2|H<1>}	H(C[6]N[6]2C)	105.7240	0.000	1	105.7240	0.000	1	105.7240	0.000	1	105.7240	0.000	1	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	3:4:2:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6]-4:	C[6](N[6]C[6a]N[6])(C[6]C[6]H)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(N[6]C[6])	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]N[6])(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(N[6]C[6]){1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.7875	0.022	2	109.7875	0.000	2	109.7875	0.000	2	109.3813	6.608	16	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	3:4:2:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](N[6]C[6a]O[6])(C[6]C[6,6]H)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]O[6])(C[6]C[6,6]H)(H)2{2|C<3>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6]){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	108.1305	6.230	2	108.1305	38.817	2	109.3233	7.596	14	109.3813	6.608	16	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	3:4:2:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](N[6]C[6a]O[6])(C[6]C[6]C)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]O[6])(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6]){4|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5007	2.507	10	109.5221	5.146	12	109.3233	7.596	14	109.3813	6.608	16	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	3:4:2:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](N[6]C[6a]O[6])(C[6]C[6]C)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]O[6])(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6290	0.041	2	109.5221	5.146	12	109.3233	7.596	14	109.3813	6.608	16	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[5,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(H)2	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(CC[6a]N)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(H)2{1|H<1>,4|C<3>}	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(CC[6a]N){1|C<4>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	109.1505	0.022	2	109.1505	0.000	2	109.1505	0.000	2	108.8966	2.933	12	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(COO)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2{1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(COO){1|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	110.1690	0.006	2	110.1690	0.000	2	110.1690	0.000	2	108.8966	2.933	12	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	3:4:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	N[6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]C)(N[6]N[6]C)(H)2	N[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CCO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]N[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CCO){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	108.4038	1.946	4	108.4038	3.786	4	108.4038	3.786	4	108.8966	2.933	12	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	3:4:3:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:	C[6]-4:	C[6](N[6]C[6a]N[6])(C[6]C[6]H)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]N[6])(C[6]C[6]H)(H)2{2|C<4>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C){3|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	108.6262	2.329	4	108.6262	5.424	4	108.6262	5.424	4	108.8966	2.933	12	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]S)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]S)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6]N[6]H)	109.2320	0.013	2	109.2320	0.000	2	109.2320	0.000	2	109.2064	1.131	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(H)2	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(CH3)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(H)2{1|O<2>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(CH3){5|C<3>}	H(C[6]C[6,6a]N[6]H)	109.1510	0.008	2	109.1510	0.000	2	108.9527	0.030	11	109.2064	1.131	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2{1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3){1|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	108.7930	0.069	2	108.7930	0.005	2	108.9527	0.030	11	109.2064	1.131	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(CCHH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2{1|H<1>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(CCHH){5|C<3>}	H(C[6]C[6,6a]N[6]H)	108.9810	0.000	1	108.9810	0.000	1	108.9527	0.030	11	109.2064	1.131	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(CH3)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2{1|H<1>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(CH3){5|C<3>}	H(C[6]C[6,6a]N[6]H)	108.8243	0.082	4	108.9352	0.034	6	108.9527	0.030	11	109.2064	1.131	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(CH3)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2{1|O<2>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(CH3){5|C<3>}	H(C[6]C[6,6a]N[6]H)	109.1570	0.006	2	108.9352	0.034	6	108.9527	0.030	11	109.2064	1.131	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(SC[6a]OO)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(H)2{1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(SC[6a]OO){1|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	108.9565	1.004	8	108.9565	1.009	8	108.9565	1.009	8	109.2064	1.131	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6a]O[6])(N[6]C[6,6a]S)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]O[6])(N[6]C[6,6a]S)(H)2{4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6]N[6]H)	109.5055	0.026	2	109.5055	0.001	2	109.5055	0.001	2	109.2064	1.131	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5a,6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CC[6a]3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]C)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<1>}	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CC[6a]3){3|C<3>}	H(C[6]C[6]N[6]H)	109.5600	0.018	2	109.5600	0.000	2	109.5600	0.000	2	109.2064	1.131	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]O[6]H)(H)2	N[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]O[6]H)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	109.8310	0.052	2	109.8310	0.003	2	109.8310	0.003	2	109.2064	1.131	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]O[6]C)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]O[6]C)(H)2{2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH){1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6]N[6]H)	109.6220	0.000	1	109.6220	0.000	1	109.0830	0.218	3	109.2064	1.131	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]O[6]O)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]O[6]O)(H)2{2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6]N[6]H)	108.8135	0.008	2	108.8135	0.000	2	109.0830	0.218	3	109.2064	1.131	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(H)2{1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	108.9230	0.033	2	108.9019	0.008	8	109.0666	0.052	14	109.2064	1.131	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(H)2{1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	109.0275	0.011	2	108.9019	0.008	8	109.0666	0.052	14	109.2064	1.131	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(H)2{3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|Br<1>,1|C<4>,3|C<3>}	H(C[6]C[6]N[6]H)	108.8280	0.010	2	108.9019	0.008	8	109.0666	0.052	14	109.2064	1.131	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(H)2{3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	108.8290	0.006	2	108.9019	0.008	8	109.0666	0.052	14	109.2064	1.131	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]H)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]S)(C[6]C[6]H)(H)2{3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.1025	0.021	2	109.1025	0.000	2	109.0666	0.052	14	109.2064	1.131	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]N[6]C)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]S)(C[6]N[6]C)(H)2{1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]N[6]H)	109.3780	0.052	4	109.3780	0.003	4	109.0666	0.052	14	109.2064	1.131	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2{1|N<3>,2|C<3>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH){2|H<1>,5|C<3>}	H(C[6]C[6]N[6]H)	109.4020	0.023	2	109.4020	0.001	2	109.3114	0.228	8	109.2064	1.131	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]S[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2{2|C<3>,2|H<1>,2|S<2>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]S[6]HH){2|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	108.9390	0.013	2	108.9390	0.000	2	109.3114	0.228	8	109.2064	1.131	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH){3|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	108.9010	0.082	2	108.9010	0.007	2	109.3114	0.228	8	109.2064	1.131	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]H)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	110.0035	0.029	2	110.0035	0.001	2	109.3114	0.228	8	109.2064	1.131	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:C[6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]N[5,6]C)(C[6]C[6]H)(H)2	N[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](N[6]N[5,6]C)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(C[6]C[6]N[6]H)	110.4200	2.827	2	110.4200	7.992	2	110.4200	7.992	2	109.2064	1.131	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6]C)(N[6]C[6]C)(H)2	N[6](C[6,6]C[6,6]O[6])(C[6]N[6]HH)(CH3)	H(C[6]N[6]2H)	C[6](N[6]C[6,6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>}	N[6](C[6,6]C[6,6]O[6])(C[6]N[6]HH)(CH3){1|C<3>,3|C<4>}	H(C[6]N[6]2H)	109.4710	0.000	1	109.4710	0.000	1	109.4710	0.000	1	109.2064	1.131	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(N[6]S[6]C)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)	H(C[6]N[6]2H)	C[6](N[6]C[6,6a]C)(N[6]S[6]C)(H)2{2|C<3>,2|O<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[6]N[6]2H)	109.2335	0.025	2	109.2335	0.001	2	109.3267	0.124	6	109.2064	1.131	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]C)2(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP)	H(C[6]N[6]2H)	C[6](N[6]C[6,6a]C)2(H)2{3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP){1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[6]2H)	109.3732	0.445	4	109.3732	0.198	4	109.3267	0.124	6	109.2064	1.131	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	H(C[6]N[6]2H)	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|S<1>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]N[6]2H)	109.2510	0.221	6	109.2503	0.028	10	109.2116	2.036	50	109.2064	1.131	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	H(C[6]N[6]2H)	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2{1|N<3>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|F<1>,1|H<1>,2|C<4>,3|C<3>}	H(C[6]N[6]2H)	109.2493	0.042	4	109.2503	0.028	10	109.2116	2.036	50	109.2064	1.131	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(H)2	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	H(C[6]N[6]2H)	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(H)2{1|N<3>,1|S<1>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]N[6]2H)	109.8106	0.239	5	109.8106	0.057	5	109.2116	2.036	50	109.2064	1.131	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(N[6]C[6]P)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH)	H(C[6]N[6]2H)	C[6](N[6]C[6a]C[6])(N[6]C[6]P)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH){1|C<4>,1|P<4>,2|C<3>,4|H<1>}	H(C[6]N[6]2H)	109.1995	0.008	2	109.1995	0.000	2	109.2116	2.036	50	109.2064	1.131	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])2(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH)	H(C[6]N[6]2H)	C[6](N[6]C[6a]C[6])2(H)2{3|H<1>,5|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH){2|H<1>,5|C<3>}	H(C[6]N[6]2H)	109.2605	0.025	2	109.2605	0.001	2	109.2116	2.036	50	109.2064	1.131	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])2(H)2	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	H(C[6]N[6]2H)	C[6](N[6]C[6a]C[6])2(H)2{1|N<3>,4|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(C[6]N[6]2H)	108.8800	2.387	12	109.1001	3.237	31	109.2116	2.036	50	109.2064	1.131	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])2(H)2	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	H(C[6]N[6]2H)	C[6](N[6]C[6a]C[6])2(H)2{1|N<3>,4|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]N[6]2H)	109.2831	1.490	16	109.1001	3.237	31	109.2116	2.036	50	109.2064	1.131	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	3:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])2(H)2	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2	H(C[6]N[6]2H)	C[6](N[6]C[6a]C[6])2(H)2{1|N<3>,4|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]N[6]HH)2{1|F<1>,1|H<1>,2|C<4>,3|C<3>}	H(C[6]N[6]2H)	109.0050	0.040	3	109.1001	3.237	31	109.2116	2.036	50	109.2064	1.131	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:2:1:	4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(N[6]O[6]H)(H)2	N[6](C[6]C[6,6]HH)(O[6]C[6])(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6])(N[6]O[6]H)(H)2{1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]N[6]H)	106.8585	0.834	2	106.8585	0.695	2	106.8585	0.695	2	107.8162	11.011	4	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:2:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]H)(N[6]O[6]H)(H)2	N[6](C[6]C[6]HH)(O[6]C[6,6])(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]H)(N[6]O[6]H)(H)2{2|C<4>}	N[6](C[6]C[6]HH)(O[6]C[6,6])(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.7740	5.354	2	108.7740	28.668	2	108.7740	28.668	2	107.8162	11.011	4	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:3:1:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](N[6]N[6]C)(N[6]N[6]H)(H)2	N[6](C[6]N[6]HH)(N[6]C[6]C)(H)	H(C[6]N[6]2H)	C[6](N[6]N[6]C)(N[6]N[6]H)(H)2{1|H<1>,2|C<4>}	N[6](C[6]N[6]HH)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|H<1>}	H(C[6]N[6]2H)	109.2638	0.058	4	109.2638	0.003	4	109.2638	0.003	4	109.2638	0.003	4	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:3:2:	4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]2)(N[6]C[6a]O[6])(H)2	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]2)(N[6]C[6a]O[6])(H)2{1|H<1>,1|N<3>,2|C<3>,3|C<4>}	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]N[6]H)	106.8407	0.683	4	107.5908	2.208	6	107.4739	2.449	8	107.4739	2.449	8	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:3:2:	4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]2)(N[6]C[6a]O[6])(H)2	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]2)(N[6]C[6a]O[6])(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]N[6]H)	109.0910	1.700	2	107.5908	2.208	6	107.4739	2.449	8	107.4739	2.449	8	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:3:2:	4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]O[6])(H)2	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]O[6])(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]N[6]H)	107.1230	2.403	2	107.1230	5.773	2	107.4739	2.449	8	107.4739	2.449	8	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:3:3:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:Ge[6]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Ge[6])(H)2	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(Ge[6]P[6]Cl)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Ge[6])(H)2{1|Cl<1>,1|H<1>,1|P<4>,4|C<3>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(Ge[6]P[6]Cl){2|C<4>,6|C<3>}	H(C[6]C[6,6a]N[6]H)	107.5420	0.000	1	107.5420	0.000	1	107.5420	0.000	1	109.1083	1.840	3	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:3:3:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](N[6]C[6]N)2(H)2	N[6](C[6]N[6]HH)(C[6]N[6]C)(NOO)	H(C[6]N[6]2H)	C[6](N[6]C[6]N)2(H)2{1|C<4>,1|N<2>,2|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]C)(NOO){1|C<4>,1|N<3>}	H(C[6]N[6]2H)	109.8915	0.021	2	109.8915	0.000	2	109.8915	0.000	2	109.1083	1.840	3	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6a]C[6])(H)2	N[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6a]C[6])(H)2{1|C<4>,2|H<1>,5|C<3>}	N[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]N[6]H)	109.2700	0.023	2	109.2700	0.001	2	109.2700	0.001	2	109.2515	0.083	37	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]O[6]HH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2{1|O<1>,1|O<2>,2|H<1>,4|C<3>}	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]O[6]HH){2|H<1>,4|C<3>}	H(C[6]C[6,6]N[6]H)	109.9710	0.033	2	109.9710	0.001	2	109.9710	0.001	2	109.2515	0.083	37	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|O<2>,3|H<1>,4|C<3>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH){2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	109.3135	0.071	2	109.3135	0.005	2	109.3135	0.005	2	109.2515	0.083	37	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6]OO){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]H)	109.8855	0.021	2	109.8855	0.000	2	109.5216	0.113	5	109.2515	0.083	37	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>}	N[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO){1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	109.2790	0.068	3	109.2790	0.005	3	109.5216	0.113	5	109.2515	0.083	37	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[5,6]C[6a])(C[6]C[6,6]H)(H)2	N[6](C[5,6]C[5,6,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C[6a])(C[6]C[6,6]H)(H)2{1|H<1>,2|C<3>,3|C<4>}	N[6](C[5,6]C[5,6,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,1|O<2>,4|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	108.9515	0.028	2	108.9515	0.001	2	108.9515	0.001	2	109.2515	0.083	37	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2{1|H<1>,1|N<3>,4|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|H<1>,7|C<3>}	H(C[6]C[6]N[6]H)	109.0533	0.139	12	109.0533	0.019	12	109.0603	0.018	13	109.2515	0.083	37	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]C)(H)2{1|C<4>,1|H<1>,1|S<4>,3|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,4|H<1>,5|C<3>}	H(C[6]C[6]N[6]H)	109.1440	0.000	1	109.1440	0.000	1	109.0603	0.018	13	109.2515	0.083	37	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)(C[6]N[6]O)(CC[6a]HH)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)2(H)2{1|N<3>,1|O<1>,2|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]O)(CC[6a]HH){3|C<4>}	H(C[6]N[6]2H)	109.0625	0.028	2	109.0625	0.001	2	109.0625	0.001	2	109.2515	0.083	37	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(N[6]C[5,6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)	H(C[6]N[6]2H)	C[6](N[6]C[6a]C[6])(N[6]C[5,6]S)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH){1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	H(C[6]N[6]2H)	109.5890	0.000	1	109.5890	0.000	1	109.3398	0.034	5	109.2515	0.083	37	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])2(H)2	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)	H(C[6]N[6]2H)	C[6](N[6]C[6a]C[6])2(H)2{1|C<4>,4|C<3>,4|H<1>}	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH){2|C<4>,2|H<1>,4|C<3>}	H(C[6]N[6]2H)	109.2775	0.140	4	109.2775	0.020	4	109.3398	0.034	5	109.2515	0.083	37	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:3:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:N[6]-3:C-4:	C[6]-4:	C[6](N[6]N[6]C)(N[6]N[6]H)(H)2	N[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)	H(C[6]N[6]2H)	C[6](N[6]N[6]C)(N[6]N[6]H)(H)2{1|H<1>,2|C<4>}	N[6](C[6]N[6]HH)(N[6]C[6]H)(CH3){1|N<3>,3|H<1>}	H(C[6]N[6]2H)	109.2695	0.041	4	109.2695	0.002	4	109.2695	0.002	4	109.2515	0.083	37	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:1:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]H)(H)2	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]H)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	109.8805	0.023	2	109.8805	0.001	2	109.8805	0.001	2	109.0351	0.768	83	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:1:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[5a,6,6a]C[6a])(N[6]C[6]H)(H)2	N[6](C[6]C[5a,6]CC)(C[6]C[6,6a]HH)(H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,4|C<3>}	N[6](C[6]C[5a,6]CC)(C[6]C[6,6a]HH)(H){3|C<3>}	H(C[6]C[6,6a]N[6]H)	108.7340	0.047	2	108.7340	0.002	2	108.7868	0.130	19	109.0351	0.768	83	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:1:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2	N[6](C[6]C[5]C[6]H)(C[6]C[6,6a]HH)(H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[5]C[6]H)(C[6]C[6,6a]HH)(H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	108.6175	0.009	2	108.6175	0.000	2	108.7868	0.130	19	109.0351	0.768	83	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:1:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2	N[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]HH)(H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]HH)(H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	108.5529	0.136	9	108.5529	0.018	9	108.7868	0.130	19	109.0351	0.768	83	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:1:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	109.4215	0.071	4	109.4215	0.005	4	108.7868	0.130	19	109.0351	0.768	83	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:1:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(H){1|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	108.7925	0.018	2	108.7925	0.000	2	108.7868	0.130	19	109.0351	0.768	83	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:1:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	P[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]P[6,6]H)(H)2	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]P[6,6]H)(H)2{1|O<2>,2|N<2>,3|C<3>}	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(H){2|C<3>,2|P<4>}	H(C[6]C[6,6a]N[6]H)	109.2620	0.010	2	109.2620	0.000	2	109.2620	0.000	2	109.0351	0.768	83	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)2(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)2{1|C<3>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HH)2(H){3|C<3>}	H(C[6]C[6]N[6]H)	108.6729	0.228	7	108.6729	0.052	7	109.7370	4.720	11	109.0351	0.768	83	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]H)(H)2{4|C<4>}	N[6](C[6]C[6]CC)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]H)	111.0855	3.574	2	111.0855	12.777	2	109.7370	4.720	11	109.0351	0.768	83	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]H)	112.1130	3.355	2	112.1130	11.253	2	109.7370	4.720	11	109.0351	0.768	83	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:S[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]C)(N[6]S[6]H)(H)2	N[6](C[6]C[6]HH)(S[6]N[6]OO)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]S[6]H)(H)2{1|N<3>,2|H<1>,2|O<1>}	N[6](C[6]C[6]HH)(S[6]N[6]OO)(H){1|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	108.7440	0.047	2	108.7440	0.002	2	108.7440	0.002	2	109.0351	0.768	83	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	S[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]N)(N[6]S[6]H)(H)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]N)(N[6]S[6]H)(H)2{2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]HH)(H){1|N<2>,2|C<3>}	H(C[6]C[6]N[6]H)	108.6937	0.205	20	108.6937	0.042	20	108.6635	0.048	22	109.0351	0.768	83	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:1:	4:	C[6]-3:N[6]-3:H-1:H-1:	S[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(H)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(H)2{2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]HH)(H){1|O<1>,2|C<3>}	H(C[6]C[6]N[6]H)	108.3605	0.008	2	108.3605	0.000	2	108.6635	0.048	22	109.0351	0.768	83	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:1:	4:	N[6]-3:N[6]-3:H-1:H-1:	S[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]C)(N[6]S[6]H)(H)2	N[6](S[6]C[6,6a]OO)(C[6]N[6]HH)(H)	H(C[6]N[6]2H)	C[6](N[6]C[6,6a]C)(N[6]S[6]H)(H)2{2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]N[6]HH)(H){1|C<3>,1|C<4>,1|N<2>}	H(C[6]N[6]2H)	109.0495	0.238	4	109.0495	0.057	4	109.1794	0.026	25	109.0351	0.768	83	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:1:	4:	N[6]-3:N[6]-3:H-1:H-1:	S[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(N[6]S[6]H)(H)2	N[6](S[6]C[6,6a]OO)(C[6]N[6]HH)(H)	H(C[6]N[6]2H)	C[6](N[6]C[6,6a]H)(N[6]S[6]H)(H)2{2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]N[6]HH)(H){1|H<1>,2|C<3>}	H(C[6]N[6]2H)	109.2041	0.136	21	109.2041	0.018	21	109.1794	0.026	25	109.0351	0.768	83	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:2:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-2:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HH)2(CN){3|C<3>}	H(C[6]C[6]N[6]H)	109.2580	0.142	4	109.2580	0.020	4	109.2580	0.020	4	109.6095	0.095	12	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:2:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(OC){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6915	0.171	4	109.6915	0.029	4	109.6915	0.029	4	109.6095	0.095	12	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:2:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:S-4:N[6]-2:	C[6]-4:	C[6](C[6]C[6]C)(N[6]N[6]S)(H)2	N[6](C[6]C[6]HH)(SC[6a]OO)(N[6]C[6])	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]N[6]S)(H)2{1|C<3>,1|H<1>}	N[6](C[6]C[6]HH)(SC[6a]OO)(N[6]C[6]){1|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.7310	0.007	2	109.8790	0.029	4	109.8790	0.029	4	109.6095	0.095	12	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:2:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:S-4:N[6]-2:	C[6]-4:	C[6](C[6]C[6]C)(N[6]N[6]S)(H)2	N[6](C[6]C[6]HH)(SC[6a]OO)(N[6]C[6])	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]N[6]S)(H)2{1|C<3>,1|H<1>}	N[6](C[6]C[6]HH)(SC[6a]OO)(N[6]C[6]){1|C<4>,2|C<3>}	H(C[6]C[6]N[6]H)	110.0270	0.010	2	109.8790	0.029	4	109.8790	0.029	4	109.6095	0.095	12	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	C[5,6]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:S-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6]S)(H)2	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(SCO)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(SCO){1|C<4>,4|C<3>}	H(C[6]C[5,6]N[6]H)	109.0547	0.092	3	109.0547	0.008	3	109.0547	0.008	3	109.2006	2.925	216	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO){2|C<3>,2|H<1>}	H(C[6]C[5a,6]N[6]H)	110.0070	0.000	1	110.0070	0.000	1	110.0070	0.000	1	109.2006	2.925	216	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(H)2	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(H)2{1|C<4>,1|H<1>,1|O<2>,5|C<3>}	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2){1|N<2>,1|O<1>,3|H<1>,6|C<3>}	H(C[6]C[6,6a]N[6]H)	108.7600	0.000	1	108.7600	0.000	1	109.2823	0.139	4	109.2006	2.925	216	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(H)2	N[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]N[6]H)	109.2670	0.000	1	109.4563	0.027	3	109.2823	0.139	4	109.2006	2.925	216	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(H)2	N[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2){2|H<1>,4|C<3>,4|C<4>}	H(C[6]C[6,6a]N[6]H)	109.5510	0.008	2	109.4563	0.027	3	109.2823	0.139	4	109.2006	2.925	216	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C[6a])(H)2	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C[6a])(H)2{1|N<3>,2|H<1>,5|C<3>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	H(C[6]C[6,6a]N[6]H)	109.0250	0.006	2	109.0250	0.000	2	109.0250	0.000	2	109.2006	2.925	216	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|O<2>,2|H<1>,5|C<3>}	N[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2){2|H<1>,6|C<3>}	H(C[6]C[6,6a]N[6]H)	109.4180	0.008	2	109.4180	0.000	2	109.4180	0.000	2	109.2006	2.925	216	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CCO){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8430	0.006	2	109.8430	0.000	2	109.8920	0.549	4	109.2006	2.925	216	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]H)	109.9410	1.280	2	109.9410	1.638	2	109.8920	0.549	4	109.2006	2.925	216	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]N)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6]N)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH){1|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6075	0.008	2	109.6075	0.000	2	109.6075	0.000	2	109.2006	2.925	216	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6a]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2	N[6](C[6]N[6,6]HH)2(C[6a]C[6a]2)	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2{2|C<3>,2|N<3>,6|H<1>}	N[6](C[6]N[6,6]HH)2(C[6a]C[6a]2){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	H(C[6]N[6,6]N[6]H)	108.3970	0.028	4	108.3970	0.001	4	108.3970	0.001	4	109.2006	2.925	216	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]N)(H)2	N[6](C[6]N[6,6]HH)(C[6]C[6]HH)(NOO)	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]N)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	N[6](C[6]N[6,6]HH)(C[6]C[6]HH)(NOO){1|C<3>,1|C<4>,2|N<3>}	H(C[6]N[6,6]N[6]H)	109.7655	0.042	2	109.7655	0.002	2	109.6335	0.024	4	109.2006	2.925	216	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]N)(H)2	N[6](C[6]N[6,6]HH)(C[6]N[6]HH)(NOO)	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]N)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	N[6](C[6]N[6,6]HH)(C[6]N[6]HH)(NOO){1|C<3>,1|C<4>}	H(C[6]N[6,6]N[6]H)	109.5015	0.021	2	109.5015	0.000	2	109.6335	0.024	4	109.2006	2.925	216	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](N[6]C[6]C)(N[6]C[6]N)(H)2	N[6](C[6]N[6]HH)2(NOO)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)(N[6]C[6]N)(H)2{1|N<3>,4|H<1>}	N[6](C[6]N[6]HH)2(NOO){1|C<3>,1|C<4>,1|N<3>}	H(C[6]N[6]2H)	109.7130	0.008	2	109.7130	0.000	2	109.1854	3.282	190	109.2006	2.925	216	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](N[6]C[6]H)(N[6]C[6]N)(H)2	N[6](C[6]N[6]HH)2(NOO)	H(C[6]N[6]2H)	C[6](N[6]C[6]H)(N[6]C[6]N)(H)2{1|C<3>,1|N<3>,2|H<1>}	N[6](C[6]N[6]HH)2(NOO){1|C<3>,2|H<1>}	H(C[6]N[6]2H)	109.6303	0.156	4	109.7484	0.032	10	109.1854	3.282	190	109.2006	2.925	216	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](N[6]C[6]H)(N[6]C[6]N)(H)2	N[6](C[6]N[6]HH)2(NOO)	H(C[6]N[6]2H)	C[6](N[6]C[6]H)(N[6]C[6]N)(H)2{1|C<4>,1|N<2>,2|H<1>}	N[6](C[6]N[6]HH)2(NOO){1|C<3>,1|H<1>}	H(C[6]N[6]2H)	109.8272	0.154	6	109.7484	0.032	10	109.1854	3.282	190	109.2006	2.925	216	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](N[6]C[6]N)2(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(NOO)	H(C[6]N[6]2H)	C[6](N[6]C[6]N)2(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]HH)(NOO){1|C<4>,1|N<2>,2|N<3>}	H(C[6]N[6]2H)	109.3625	0.017	4	109.3625	0.000	4	109.1854	3.282	190	109.2006	2.925	216	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](N[6]C[6]N)2(H)2	N[6](C[6]N[6]HH)2(NOO)	H(C[6]N[6]2H)	C[6](N[6]C[6]N)2(H)2{1|C<4>,1|N<2>,2|H<1>}	N[6](C[6]N[6]HH)2(NOO){1|C<3>,1|N<2>}	H(C[6]N[6]2H)	110.1040	0.065	2	109.1429	3.559	174	109.1854	3.282	190	109.2006	2.925	216	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](N[6]C[6]N)2(H)2	N[6](C[6]N[6]HH)2(NOO)	H(C[6]N[6]2H)	C[6](N[6]C[6]N)2(H)2{1|C<4>,1|N<2>,2|H<1>}	N[6](C[6]N[6]HH)2(NOO){1|C<3>,1|N<3>}	H(C[6]N[6]2H)	109.8605	0.049	4	109.1429	3.559	174	109.1854	3.282	190	109.2006	2.925	216	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](N[6]C[6]N)2(H)2	N[6](C[6]N[6]HH)2(NOO)	H(C[6]N[6]2H)	C[6](N[6]C[6]N)2(H)2{1|N<3>,4|H<1>}	N[6](C[6]N[6]HH)2(NOO){1|C<3>,1|C<4>,1|N<3>}	H(C[6]N[6]2H)	109.3615	0.033	2	109.1429	3.559	174	109.1854	3.282	190	109.2006	2.925	216	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:3:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](N[6]C[6]N)2(H)2	N[6](C[6]N[6]HH)2(NOO)	H(C[6]N[6]2H)	C[6](N[6]C[6]N)2(H)2{1|N<3>,4|H<1>}	N[6](C[6]N[6]HH)2(NOO){1|C<4>,2|N<3>}	H(C[6]N[6]2H)	109.1114	1.925	166	109.1429	3.559	174	109.1854	3.282	190	109.2006	2.925	216	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[4,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4])(N[6]C[6]S)(H)2	N[6](C[6]C[4,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[4,6]N[6]H)	C[6](C[4,6]C[4,6]C[4])(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[4,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|Si<4>,2|C<3>}	H(C[6]C[4,6]N[6]H)	110.4485	0.040	2	110.3663	0.012	6	110.3663	0.012	6	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[4,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4])(N[6]C[6]S)(H)2	N[6](C[6]C[4,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[4,6]N[6]H)	C[6](C[4,6]C[4,6]C[4])(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[4,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|Si<4>,2|C<3>}	H(C[6]C[4,6]N[6]H)	110.3253	0.113	4	110.3663	0.012	6	110.3663	0.012	6	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[5,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5])(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,5,6]C[5])(N[6]C[6]S)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]N[6]H)	110.1350	0.000	1	110.1350	0.000	1	110.1251	0.185	15	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[5,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5,5])(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6,6]C[5,5])(N[6]C[6]S)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]N[6]H)	109.4340	0.058	2	109.4340	0.003	2	110.1251	0.185	15	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[5,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5])(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(SC[6a]OO)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6,6]C[5])(N[6]C[6]S)(H)2{1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(SC[6a]OO){1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[5,6]N[6]H)	110.6605	0.064	2	110.5355	0.040	6	110.1251	0.185	15	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[5,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5])(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(SC[6a]OO)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6,6]C[5])(N[6]C[6]S)(H)2{1|C<4>,2|H<1>,4|C<3>}	N[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6]N[6]H)	110.2835	0.036	2	110.5355	0.040	6	110.1251	0.185	15	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[5,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5])(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(SC[6a]OO)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6,6]C[5])(N[6]C[6]S)(H)2{1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(SC[6a]OO){1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[5,6]N[6]H)	110.6625	0.042	2	110.5355	0.040	6	110.1251	0.185	15	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[5,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6]S)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,2|N<3>}	H(C[6]C[5,6]N[6]H)	110.0135	0.025	2	110.0135	0.001	2	110.1251	0.185	15	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[5,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5,6]N[5,6]N[5])(N[6]C[6]S)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(SC[6a]OO)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]N[5,6]N[5])(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(SC[6a]OO){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	H(C[6]C[5,6]N[6]H)	109.9085	0.268	4	109.9085	0.072	4	110.1251	0.185	15	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CB[6a]CH)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CB[6a]CH){2|C<3>,2|H<1>}	H(C[6]C[5a,6]N[6]H)	109.6485	0.069	2	109.6485	0.005	2	109.6775	0.212	44	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CCHH)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CCHH){2|C<3>,2|H<1>}	H(C[6]C[5a,6]N[6]H)	109.6455	0.006	2	109.6455	0.000	2	109.6775	0.212	44	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]CH)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]CH){2|C<3>,2|H<1>}	H(C[6]C[5a,6]N[6]H)	109.5643	0.234	4	109.5643	0.055	4	109.6775	0.212	44	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|H<1>}	H(C[6]C[5a,6]N[6]H)	108.7125	2.246	2	109.3075	1.225	6	109.6775	0.212	44	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|H<1>}	H(C[6]C[5a,6]N[6]H)	109.6050	0.071	4	109.3075	1.225	6	109.6775	0.212	44	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[5a,6]N[6]H)	110.0590	0.004	2	110.0590	0.000	2	109.6775	0.212	44	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|S<2>,2|H<1>}	H(C[6]C[5a,6]N[6]H)	109.7825	0.210	22	109.7825	0.044	22	109.6775	0.212	44	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|S<2>,2|H<1>}	H(C[6]C[5a,6]N[6]H)	109.8178	0.159	4	109.8178	0.025	4	109.6775	0.212	44	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[5a,6]N[6]H)	109.2590	0.006	2	109.2590	0.000	2	109.6775	0.212	44	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]S)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SCOO)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SCOO){2|C<3>,2|H<1>}	H(C[6]C[5a,6]N[6]H)	109.9030	0.021	2	109.9030	0.000	2	110.1314	0.179	24	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]S)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[5a]OO)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[5a]OO){2|C<3>,2|H<1>}	H(C[6]C[5a,6]N[6]H)	109.9005	0.056	2	109.9005	0.003	2	110.1314	0.179	24	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]S)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO){2|C<3>,2|H<1>}	H(C[6]C[5a,6]N[6]H)	109.9880	0.000	1	110.1430	0.012	5	110.1314	0.179	24	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]S)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO){4|C<3>}	H(C[6]C[5a,6]N[6]H)	110.2405	0.045	2	110.1430	0.012	5	110.1314	0.179	24	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]S)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]S)(H)2{1|O<2>,2|C<3>,3|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO){3|C<3>}	H(C[6]C[5a,6]N[6]H)	110.1230	0.040	2	110.1430	0.012	5	110.1314	0.179	24	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SCOO)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SCOO){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[5a,6]N[6]H)	110.5365	0.029	2	110.5365	0.001	2	110.1314	0.179	24	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(H)2{1|S<4>,2|H<1>,3|C<3>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|N<3>,2|C<3>}	H(C[6]C[5a,6]N[6]H)	109.3875	1.367	2	110.1567	0.349	11	110.1314	0.179	24	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[5a,6]N[6]H)	110.5650	0.000	1	110.1567	0.349	11	110.1314	0.179	24	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[5a,6]N[6]H)	110.2733	0.188	4	110.1567	0.349	11	110.1314	0.179	24	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|N<3>,3|C<3>}	H(C[6]C[5a,6]N[6]H)	110.3227	0.036	4	110.1567	0.349	11	110.1314	0.179	24	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]S)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]S)(H)2{1|C<3>,1|H<1>,2|C<4>,2|N<2>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[5a,6]N[6]H)	110.0175	0.019	2	110.0175	0.000	2	110.1314	0.179	24	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|O<2>,3|C<3>,3|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>}	H(C[6]C[6,6]N[6]H)	109.2445	0.011	2	109.1562	0.011	4	108.9768	0.084	6	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{3|C<4>,4|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]N[6]H)	109.0680	0.038	2	109.1562	0.011	4	108.9768	0.084	6	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CH3)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[6,6]HH)2(CH3){2|C<3>,2|C<4>}	H(C[6]C[6,6]N[6]H)	108.6180	0.018	2	108.6180	0.000	2	108.9768	0.084	6	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6])(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(SC[6a]OO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6,6]C[6])(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(SC[6a]OO){1|C<3>,3|C<4>}	H(C[6]C[6,6]N[6]H)	109.0580	0.000	1	109.0580	0.000	1	109.5982	0.072	14	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6]C[6,6])(N[6]C[6]S)(H)2{2|H<1>,5|C<4>}	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]N[6]H)	110.0590	0.045	2	110.0590	0.002	2	109.5982	0.072	14	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|C<3>}	H(C[6]C[6,6]N[6]H)	109.5374	0.144	9	109.5635	0.020	11	109.5982	0.072	14	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]S)(H)2{3|C<4>,4|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]N[6]H)	109.6810	0.021	2	109.5635	0.020	11	109.5982	0.072	14	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(H)2	N[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6,6a]HH)(CHHN)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6,6a]HH)(CHHN){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	H(C[6]C[6,6a]N[6]H)	109.4250	0.000	1	109.4250	0.000	1	109.4250	0.000	1	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]S)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(SC[6a]OO)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(SC[6a]OO){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	109.5445	0.034	4	109.8003	0.075	8	109.8003	0.075	8	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]S)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(SC[6a]OO)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(SC[6a]OO){3|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	110.0560	0.005	4	109.8003	0.075	8	109.8003	0.075	8	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(CH3)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]C)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(CH3){1|C<4>,5|C<3>}	H(C[6]C[6,6a]N[6]H)	109.1930	0.000	1	109.1930	0.000	1	109.2662	0.016	5	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(CH3)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(CH3){3|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	109.4025	0.012	2	109.4025	0.000	2	109.2662	0.016	5	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)(CC[6a]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(H)2{1|N<3>,2|H<1>,3|C<3>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)(CC[6a]HH){1|C<4>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	109.1665	0.046	2	109.1665	0.002	2	109.2662	0.016	5	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:P-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]P)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(PNNO)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]P)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(PNNO){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[6]H)	109.0630	0.006	2	109.0630	0.000	2	109.0630	0.000	2	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]S)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(SC[6a]OO)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6,6a]N[6]H)	109.1170	0.023	2	109.1170	0.001	2	109.1170	0.001	2	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(H)2	N[6](C[6]C[6,6a]HH)(C[5]C[5]2H)(C[6]C[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(H)2{2|C<3>,3|C<4>,4|H<1>}	N[6](C[6]C[6,6a]HH)(C[5]C[5]2H)(C[6]C[6]HH){2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6a]N[6]H)	108.8219	0.065	8	108.8219	0.004	8	108.8219	0.004	8	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]CH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]CH){1|H<1>,3|C<3>}	H(C[6]C[6,6a]N[6]H)	108.9300	0.008	2	108.9300	0.000	2	109.2004	0.564	79	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]HH){2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	108.9373	0.508	4	108.9373	0.258	4	109.2004	0.564	79	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CH3)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CH3){2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	109.0530	0.016	2	109.0530	0.000	2	109.2004	0.564	79	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCHH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCHH){2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	109.7685	0.013	2	109.7685	0.000	2	109.2004	0.564	79	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[5]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[5]HH){2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	108.8875	0.028	2	108.8875	0.001	2	109.2004	0.564	79	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH){1|H<1>,3|C<3>}	H(C[6]C[6,6a]N[6]H)	109.4145	0.053	2	109.2135	0.025	6	109.2004	0.564	79	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]N[6]H)	109.1185	0.035	2	109.2135	0.025	6	109.2004	0.564	79	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{3|C<3>,3|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH){3|C<3>}	H(C[6]C[6,6a]N[6]H)	109.1075	0.006	2	109.2135	0.025	6	109.2004	0.564	79	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	109.2082	0.476	4	109.2617	0.089	9	109.2004	0.564	79	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	109.1940	0.000	1	109.2617	0.089	9	109.2004	0.564	79	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|N<2>,2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3){3|C<3>}	H(C[6]C[6,6a]N[6]H)	109.3320	0.017	4	109.2617	0.089	9	109.2004	0.564	79	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(CCHH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{2|H<1>,2|N<2>,2|N<3>}	N[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(CCHH){1|C<4>,2|C<3>}	H(C[6]C[6,6a]N[6]H)	109.8820	0.044	2	109.8820	0.002	2	109.2004	0.564	79	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCHH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|O<2>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCHH){2|C<3>}	H(C[6]C[6,6a]N[6]H)	109.2603	0.184	22	109.2603	0.034	22	109.2004	0.564	79	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CC[6a]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|O<2>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CC[6a]HH){2|C<3>}	H(C[6]C[6,6a]N[6]H)	109.2588	0.037	4	109.2588	0.001	4	109.2004	0.564	79	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CH3)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|O<2>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CH3){2|C<3>}	H(C[6]C[6,6a]N[6]H)	109.1705	0.131	4	109.1705	0.017	4	109.2004	0.564	79	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(CC[6a]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{2|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(CC[6a]HH){5|C<3>}	H(C[6]C[6,6a]N[6]H)	108.6395	0.009	2	108.6395	0.000	2	109.2004	0.564	79	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(CH3)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6]C)(H)2{2|C<3>,3|C<4>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(CH3){1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	109.9595	0.022	2	109.9595	0.000	2	109.2004	0.564	79	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCCH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6]C)(H)2{1|O<2>,2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCCH){2|C<3>}	H(C[6]C[6,6a]N[6]H)	108.7473	3.457	4	108.7473	11.954	4	109.2004	0.564	79	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCHH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6]C)(H)2{1|O<2>,2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCHH){2|C<3>}	H(C[6]C[6,6a]N[6]H)	109.0130	0.092	4	109.0130	0.008	4	109.2004	0.564	79	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CC[6a]CH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6]C)(H)2{1|O<2>,2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CC[6a]CH){2|C<3>}	H(C[6]C[6,6a]N[6]H)	109.3980	0.013	2	109.3980	0.000	2	109.2004	0.564	79	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CC[6a]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6]C)(H)2{1|O<2>,2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CC[6a]HH){2|C<3>}	H(C[6]C[6,6a]N[6]H)	109.3330	0.186	4	109.3330	0.035	4	109.2004	0.564	79	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(C[6]C[6,6a]N[6]H)	108.7970	0.023	2	108.7970	0.001	2	109.2004	0.564	79	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(C[6]C[6]CH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(H)2{2|C<3>,3|H<1>,4|C<4>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(C[6]C[6]CH){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]N[6]H)	108.8915	0.039	2	108.8915	0.002	2	109.1010	0.060	4	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(C[6]C[6]2H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(C[6]C[6]2H){2|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6,6a]N[6]H)	109.3105	0.043	2	109.3105	0.002	2	109.1010	0.060	4	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(SC[6a]OO)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(SC[6a]OO){2|C<3>,2|C<4>}	H(C[6]C[6,6a]N[6]H)	109.8124	0.075	5	109.8124	0.006	5	109.5574	0.123	42	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(SC[6a]OO){4|C<3>}	H(C[6]C[6,6a]N[6]H)	109.3420	0.059	2	109.3420	0.004	2	109.5574	0.123	42	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(SC[6a]OO){2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	109.5245	0.177	14	109.5875	0.045	22	109.5574	0.123	42	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]N[6]H)	109.6622	0.263	6	109.5875	0.045	22	109.5574	0.123	42	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{3|C<3>,3|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<2>,2|C<3>}	H(C[6]C[6,6a]N[6]H)	109.8045	0.036	2	109.5875	0.045	22	109.5574	0.123	42	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(SNOO)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(SNOO){2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	109.6080	0.021	2	109.6080	0.000	2	109.5574	0.123	42	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(SC[6a]OO)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(SC[6a]OO){1|C<4>,1|O<2>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	109.8755	1.500	2	109.5642	0.768	5	109.5574	0.123	42	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(SC[6a]OO)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(SC[6a]OO){2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	109.3567	0.500	3	109.5642	0.768	5	109.5574	0.123	42	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(SC[6a]OO)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|N<3>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(SC[6a]OO){1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6,6a]N[6]H)	109.4655	0.005	2	109.2837	0.024	6	109.5574	0.123	42	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(SC[6a]OO)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|N<3>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(SC[6a]OO){1|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	109.1928	0.081	4	109.2837	0.024	6	109.5574	0.123	42	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:P[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]C)(H)2	N[6](C[6]C[6,6a]HH)(P[6]O[6]NN)(CCHH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]C)(H)2{1|H<1>,1|O<2>,2|C<3>,2|N<2>}	N[6](C[6]C[6,6a]HH)(P[6]O[6]NN)(CCHH){2|C<3>}	H(C[6]C[6,6a]N[6]H)	109.8890	0.038	2	109.8890	0.001	2	109.7615	0.023	4	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:P[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]C)(H)2	N[6](C[6]C[6,6a]HH)(P[6]O[6]OO)(CC[6a]CH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]C)(H)2{1|H<1>,1|O<1>,2|C<3>,2|O<2>}	N[6](C[6]C[6,6a]HH)(P[6]O[6]OO)(CC[6a]CH){2|C<3>}	H(C[6]C[6,6a]N[6]H)	109.6340	0.033	2	109.6340	0.001	2	109.7615	0.023	4	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	P[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6,6]C)(H)2	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCCH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6,6]C)(H)2{1|H<1>,1|O<2>,2|C<3>,2|N<2>}	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCCH){2|C<3>,2|P<4>}	H(C[6]C[6,6a]N[6]H)	109.3890	0.017	2	109.3890	0.000	2	109.4177	0.299	22	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	P[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6,6]C)(H)2	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCHH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6,6]C)(H)2{1|H<1>,1|O<2>,2|C<3>,2|N<2>}	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCHH){2|C<3>,2|P<4>}	H(C[6]C[6,6a]N[6]H)	109.3722	0.815	10	109.3722	0.664	10	109.4177	0.299	22	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	P[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6,6]C)(H)2	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CC[6a]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6,6]C)(H)2{1|H<1>,1|O<2>,2|C<3>,2|N<2>}	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CC[6a]HH){2|C<3>,2|P<4>}	H(C[6]C[6,6a]N[6]H)	109.5238	0.189	6	109.5238	0.036	6	109.4177	0.299	22	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	P[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6,6]C)(H)2	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CH3)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6,6]C)(H)2{1|H<1>,1|O<2>,2|C<3>,2|N<2>}	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CH3){2|C<3>,2|P<4>}	H(C[6]C[6,6a]N[6]H)	109.3868	0.102	4	109.3868	0.010	4	109.4177	0.299	22	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(N[6]C[5,6]C)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6])(N[6]C[5,6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH){2|H<1>,5|C<3>}	H(C[6]C[6]N[6]H)	110.0608	0.406	6	110.0608	0.165	6	110.0608	0.165	6	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]C)(N[6]C[6,6]C)(H)2	N[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]C)(N[6]C[6,6]C)(H)2{1|N<3>,2|C<4>,2|H<1>}	N[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]HH)(CH3){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.2420	0.345	6	109.2420	0.119	6	109.2420	0.119	6	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[4,6]H)(N[6]C[6,6]S)(H)2	N[6](C[6,6]C[4,6,6]C[6]C)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[4,6]H)(N[6]C[6,6]S)(H)2{1|C<3>,3|C<4>}	N[6](C[6,6]C[4,6,6]C[6]C)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.1940	0.025	2	109.1940	0.001	2	108.9202	0.080	6	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6,6]C)(N[6]C[6,6]S)(H)2	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]C)(N[6]C[6,6]S)(H)2{1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	108.9925	0.013	2	108.7832	0.059	4	108.9202	0.080	6	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6,6]C)(N[6]C[6,6]S)(H)2	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]C)(N[6]C[6,6]S)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	108.5740	0.028	2	108.7832	0.059	4	108.9202	0.080	6	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]C)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	108.9220	0.013	2	108.9220	0.000	2	109.3717	0.524	218	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]C)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	N[6](C[6]C[6]HH)2(CH3){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	109.3913	0.272	3	109.3913	0.074	3	109.3717	0.524	218	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]N)(N[6]C[6]C)(H)2	N[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]N)(N[6]C[6]C)(H)2{2|H<1>,2|N<3>}	N[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CCHH){1|C<3>,1|C<4>,1|N<3>}	H(C[6]C[6]N[6]H)	109.0070	0.023	2	109.0070	0.001	2	109.3717	0.524	218	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]N)(N[6]C[6]C)(H)2	N[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]N)(N[6]C[6]C)(H)2{2|H<1>,2|N<3>}	N[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|N<3>}	H(C[6]C[6]N[6]H)	109.1585	0.021	2	109.1585	0.000	2	109.3717	0.524	218	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<2>,2|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.0940	0.008	2	109.0940	0.000	2	109.3717	0.524	218	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]C)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH){3|C<3>}	H(C[6]C[6]N[6]H)	109.5410	0.000	1	109.5410	0.000	1	109.3717	0.524	218	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]C)(N[6]C[6]C)(H)2{1|C<3>,1|N<2>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3){3|C<3>}	H(C[6]C[6]N[6]H)	109.2050	0.046	4	109.2050	0.002	4	109.3717	0.524	218	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH){2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	108.9001	0.157	7	108.9001	0.025	7	109.3717	0.524	218	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.5200	0.231	4	109.5200	0.053	4	109.3717	0.524	218	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.0634	0.249	50	109.0634	0.062	50	109.3717	0.524	218	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	108.9480	0.016	2	108.9480	0.000	2	109.3717	0.524	218	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HH)2(CCHH){3|C<3>}	H(C[6]C[6]N[6]H)	109.5708	0.199	23	109.5197	0.068	25	109.3717	0.524	218	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	N[6](C[6]C[6]HH)2(CCHH){1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	108.9315	0.005	2	109.5197	0.068	25	109.3717	0.524	218	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]CH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]CH){3|C<3>}	H(C[6]C[6]N[6]H)	109.5394	0.258	12	109.5394	0.067	12	109.3717	0.524	218	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){3|C<3>}	H(C[6]C[6]N[6]H)	109.6756	0.173	14	109.6756	0.030	14	109.3717	0.524	218	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HH)2(CH3){3|C<3>}	H(C[6]C[6]N[6]H)	109.4754	0.272	40	109.4402	0.077	45	109.3717	0.524	218	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	N[6](C[6]C[6]HH)2(CH3){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	109.2370	0.000	1	109.4402	0.077	45	109.3717	0.524	218	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HH)2(CH3){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.1397	0.115	4	109.4402	0.077	45	109.3717	0.524	218	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCCH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,3|H<1>}	N[6](C[6]C[6]HH)2(CCCH){1|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6115	0.169	4	109.6115	0.028	4	109.3717	0.524	218	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CCHH){1|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	108.7342	0.742	11	108.7342	0.550	11	109.3717	0.524	218	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN[5a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CN[5a]HH){1|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	112.2315	2.013	2	112.2315	4.053	2	109.3717	0.524	218	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]N)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CCCH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]N)(N[6]C[6]C)(H)2{2|H<1>,2|N<3>}	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CCCH){1|C<3>,1|C<4>,1|N<3>}	H(C[6]C[6]N[6]H)	110.1235	0.025	2	110.1235	0.001	2	109.3717	0.524	218	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]N)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]N)(N[6]C[6]C)(H)2{2|H<1>,2|N<3>}	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>}	H(C[6]C[6]N[6]H)	109.2685	0.005	2	109.2685	0.000	2	109.3717	0.524	218	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6a]N[6])(N[6]C[6]C)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]N[6])(N[6]C[6]C)(H)2{1|H<1>,1|N<3>,3|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH){1|N<2>,4|C<3>}	H(C[6]C[6]N[6]H)	109.2200	0.018	2	109.2200	0.000	2	109.3717	0.524	218	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC[5]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC[5]HH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]H)	109.3190	0.006	2	109.3190	0.000	2	109.3717	0.524	218	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|C<3>,3|H<1>}	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,2|O<1>}	H(C[6]C[6]N[6]H)	111.4708	3.580	4	110.5001	6.572	8	109.3717	0.524	218	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,2|O<1>}	H(C[6]C[6]N[6]H)	109.5295	0.053	4	110.5001	6.572	8	109.3717	0.524	218	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]O[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]H)(N[6]C[6]C)(H)2{1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8607	0.085	4	109.8607	0.007	4	109.3717	0.524	218	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]O[6]O)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]O)(N[6]C[6]C)(H)2{3|C<4>}	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH){1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4920	0.139	4	109.4920	0.019	4	109.3717	0.524	218	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]O[6]O)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCCH)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]O)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCCH){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	107.8465	0.026	2	107.8465	0.001	2	109.3717	0.524	218	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[3,6]O)(N[6]C[6]S)(H)2	N[6](C[6]C[3,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[3,6]O)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[3,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|O<1>,3|C<4>}	H(C[6]C[6]N[6]H)	108.8585	0.005	2	108.8585	0.000	2	109.1660	1.476	151	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[4,6]Si)(N[6]C[6]S)(H)2	N[6](C[6]C[4,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[4,6]Si)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[4,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|Si<4>,2|C<3>}	H(C[6]C[6]N[6]H)	108.6485	0.237	6	108.6485	0.056	6	109.1660	1.476	151	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5,6,6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6,6]H)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]N[6]H)	109.6210	0.031	4	109.6210	0.001	4	109.1660	1.476	151	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5,6]C)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]C)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	109.3450	0.065	2	109.4508	0.286	6	109.1660	1.476	151	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5,6]C)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]C)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	108.9145	0.032	2	109.4508	0.286	6	109.1660	1.476	151	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5,6]C)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]C)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	110.0930	0.035	2	109.4508	0.286	6	109.1660	1.476	151	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5,6]C[6])(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]C[6])(N[6]C[6]S)(H)2{1|C<3>,3|C<4>,3|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	108.9518	0.280	4	109.0485	0.070	6	109.1660	1.476	151	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5,6]C[6])(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]C[6])(N[6]C[6]S)(H)2{3|H<1>,4|C<4>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	109.2420	0.051	2	109.0485	0.070	6	109.1660	1.476	151	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5,6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(SC[6]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]H)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(SC[6]OO){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	107.4215	1.005	2	107.4215	1.010	2	109.1660	1.476	151	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5,6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]H)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4165	0.090	2	109.4165	0.008	2	109.1660	1.476	151	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5a,6]C)(N[6]C[6]S)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]C)(N[6]C[6]S)(H)2{1|C<3>,1|O<2>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO){3|C<3>}	H(C[6]C[6]N[6]H)	109.1125	0.053	2	108.2332	3.891	4	109.1660	1.476	151	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5a,6]C)(N[6]C[6]S)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]C)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|N<3>,2|C<3>}	H(C[6]C[6]N[6]H)	107.3540	2.929	2	108.2332	3.891	4	109.1660	1.476	151	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6,6]C)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]C)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|C<3>}	H(C[6]C[6]N[6]H)	109.6342	0.134	9	109.5760	0.025	12	109.1660	1.476	151	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6,6]C)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]C)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	109.4013	0.049	3	109.5760	0.025	12	109.1660	1.476	151	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6,6]O)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]O)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6]H)	109.8190	0.000	1	109.8190	0.000	1	109.1660	1.476	151	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6,6a]C)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]C)(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<2>,2|C<3>}	H(C[6]C[6]N[6]H)	108.9620	0.006	2	108.9620	0.000	2	109.1660	1.476	151	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6,6a]C)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]C)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<2>,2|C<3>}	H(C[6]C[6]N[6]H)	109.9470	0.016	2	109.9470	0.000	2	109.1660	1.476	151	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6,6a]O)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]O)(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(SC[6a]OO){1|O<1>,2|C<3>}	H(C[6]C[6]N[6]H)	108.6320	0.000	1	108.6320	0.000	1	109.1660	1.476	151	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]B)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]B)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]H)	109.0530	0.072	2	109.0530	0.005	2	109.1660	1.476	151	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.8696	0.316	5	109.8696	0.100	5	109.1660	1.476	151	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|C<3>}	H(C[6]C[6]N[6]H)	106.3710	3.291	4	106.3710	10.833	4	109.1660	1.476	151	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|N<3>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|S<4>}	H(C[6]C[6]N[6]H)	108.6033	2.312	8	108.6033	5.346	8	109.1660	1.476	151	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]N[6]H)	108.4395	3.511	2	109.3971	0.936	53	109.1660	1.476	151	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	109.5395	0.011	2	109.3971	0.936	53	109.1660	1.476	151	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6]N[6]H)	109.0879	0.265	9	109.3971	0.936	53	109.1660	1.476	151	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8377	0.207	3	109.3971	0.936	53	109.1660	1.476	151	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]H)	109.5680	0.028	2	109.3971	0.936	53	109.1660	1.476	151	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7800	0.014	2	109.3971	0.936	53	109.1660	1.476	151	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){3|C<3>}	H(C[6]C[6]N[6]H)	109.3500	1.438	12	109.3971	0.936	53	109.1660	1.476	151	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,3|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	109.6645	0.039	2	109.3971	0.936	53	109.1660	1.476	151	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,3|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){3|C<3>}	H(C[6]C[6]N[6]H)	109.2367	0.093	7	109.3971	0.936	53	109.1660	1.476	151	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5660	0.048	2	109.3971	0.936	53	109.1660	1.476	151	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7375	0.021	2	109.3971	0.936	53	109.1660	1.476	151	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	111.0595	1.326	2	109.3971	0.936	53	109.1660	1.476	151	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3962	0.445	4	109.3971	0.936	53	109.1660	1.476	151	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{2|H<1>,3|C<4>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	108.7950	0.013	2	109.3971	0.936	53	109.1660	1.476	151	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	107.9030	1.557	2	107.9030	2.424	2	109.1660	1.476	151	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	108.4250	2.695	2	108.4250	7.266	2	109.1660	1.476	151	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	108.6115	0.258	2	108.6115	0.067	2	109.1660	1.476	151	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7680	0.000	1	109.5547	0.027	11	109.1660	1.476	151	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|Si<3>,1|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4395	0.088	2	109.5547	0.027	11	109.1660	1.476	151	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3625	0.026	2	109.5547	0.027	11	109.1660	1.476	151	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2{1|C<3>,3|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	109.6885	0.005	2	109.5547	0.027	11	109.1660	1.476	151	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2{1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<3>,1|F<1>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3980	0.000	1	109.5547	0.027	11	109.1660	1.476	151	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2{1|Cl<1>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5310	0.000	1	109.5547	0.027	11	109.1660	1.476	151	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.7120	0.040	2	109.5547	0.027	11	109.1660	1.476	151	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6]N[6]H)	108.7780	0.011	2	108.7780	0.000	2	109.1660	1.476	151	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]N)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]N)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]N[6]H)	109.8290	0.038	2	109.8290	0.001	2	109.1660	1.476	151	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]O)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]O)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]N[6]H)	109.9900	3.116	2	109.9900	9.706	2	109.1660	1.476	151	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]S)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]S)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]N[6]H)	109.7855	0.032	2	109.7855	0.001	2	109.1660	1.476	151	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.5070	0.006	2	109.5070	0.000	2	109.1660	1.476	151	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]O[6]O)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]O)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]N[6]H)	108.3085	0.005	2	108.3085	0.000	2	109.1660	1.476	151	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:S[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]S[6]C)(H)2	N[6](C[6]C[6]HH)(S[6]N[6]OO)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]S[6]C)(H)2{1|N<3>,2|H<1>,2|O<1>}	N[6](C[6]C[6]HH)(S[6]N[6]OO)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]H)	108.7130	0.000	1	108.7130	0.000	1	108.7130	0.000	1	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	S[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]C)(N[6]S[6]C)(H)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]C)(N[6]S[6]C)(H)2{2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]HH)(CC[6a]HH){3|C<3>}	H(C[6]C[6]N[6]H)	109.0241	0.534	8	109.0241	0.285	8	108.9184	0.186	14	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	S[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]N)(N[6]S[6]C)(H)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]N)(N[6]S[6]C)(H)2{2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]HH)(CCHH){1|N<2>,2|C<3>}	H(C[6]C[6]N[6]H)	108.7692	0.263	4	108.7692	0.069	4	108.9184	0.186	14	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	C[6]-3:N[6]-3:H-1:H-1:	S[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(H)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(H)2{2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>}	H(C[6]C[6]N[6]H)	108.7935	0.025	2	108.7935	0.001	2	108.9184	0.186	14	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	N[6](C[6]N[5,6]HH)2(CC3)	H(C[6]N[5,6]N[6]H)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	N[6](C[6]N[5,6]HH)2(CC3){1|C<4>,2|C<3>}	H(C[6]N[5,6]N[6]H)	109.1880	0.528	7	109.1880	0.279	7	109.0953	0.132	99	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	N[6](C[6]N[5,6]HH)2(CCCH)	H(C[6]N[5,6]N[6]H)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<1>,2|H<1>}	N[6](C[6]N[5,6]HH)2(CCCH){1|C<4>,2|C<3>}	H(C[6]N[5,6]N[6]H)	109.1510	0.006	2	108.9657	0.039	16	109.0953	0.132	99	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	N[6](C[6]N[5,6]HH)2(CCCH)	H(C[6]N[5,6]N[6]H)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<1>,2|H<1>,2|N<3>}	N[6](C[6]N[5,6]HH)2(CCCH){1|C<4>,2|C<3>}	H(C[6]N[5,6]N[6]H)	109.1127	0.171	6	108.9657	0.039	16	109.0953	0.132	99	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	N[6](C[6]N[5,6]HH)2(CCCH)	H(C[6]N[5,6]N[6]H)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|N<3>,3|H<1>}	N[6](C[6]N[5,6]HH)2(CCCH){1|C<4>,2|C<3>}	H(C[6]N[5,6]N[6]H)	108.8091	0.084	8	108.9657	0.039	16	109.0953	0.132	99	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	N[6](C[6]N[5,6]HH)2(CCHH)	H(C[6]N[5,6]N[6]H)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	N[6](C[6]N[5,6]HH)2(CCHH){1|C<4>,2|C<3>}	H(C[6]N[5,6]N[6]H)	108.8991	0.148	34	108.9706	0.033	49	109.0953	0.132	99	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	N[6](C[6]N[5,6]HH)2(CCHH)	H(C[6]N[5,6]N[6]H)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<1>,2|H<1>,2|N<3>}	N[6](C[6]N[5,6]HH)2(CCHH){1|C<4>,2|C<3>}	H(C[6]N[5,6]N[6]H)	109.1325	0.142	15	108.9706	0.033	49	109.0953	0.132	99	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	N[6](C[6]N[5,6]HH)2(CC[6a]2H)	H(C[6]N[5,6]N[6]H)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	N[6](C[6]N[5,6]HH)2(CC[6a]2H){1|C<4>,2|C<3>}	H(C[6]N[5,6]N[6]H)	109.2957	0.521	8	109.2957	0.271	8	109.0953	0.132	99	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	N[6](C[6]N[5,6]HH)2(CC[6a]HH)	H(C[6]N[5,6]N[6]H)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	N[6](C[6]N[5,6]HH)2(CC[6a]HH){1|C<4>,2|C<3>}	H(C[6]N[5,6]N[6]H)	109.3150	0.430	15	109.3150	0.185	15	109.0953	0.132	99	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(N[6]C[6]C)(H)2	N[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CCHH)	H(C[6]N[5,6]N[6]H)	C[6](N[5,6]C[5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CCHH){1|C<3>,1|C<4>,1|N<3>}	H(C[6]N[5,6]N[6]H)	109.3160	0.021	2	109.3160	0.000	2	109.0953	0.132	99	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(N[6]C[6]C)(H)2	N[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3)	H(C[6]N[5,6]N[6]H)	C[6](N[5,6]C[5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[6](C[6]N[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|N<3>}	H(C[6]N[5,6]N[6]H)	110.1960	0.027	2	110.1960	0.001	2	109.0953	0.132	99	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]2)(H)2	N[6](C[6]N[5,6]HH)2(C[6]C[6]2H)	H(C[6]N[5,6]N[6]H)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]2)(H)2{1|C<3>,1|O<1>,2|N<3>,3|C<4>,3|H<1>}	N[6](C[6]N[5,6]HH)2(C[6]C[6]2H){2|C<3>,3|C<4>,4|H<1>}	H(C[6]N[5,6]N[6]H)	108.9325	0.080	6	108.9325	0.006	6	108.9325	0.006	6	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	N[6](C[6]N[6,6]HH)2(CCHH)	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,6|H<1>}	N[6](C[6]N[6,6]HH)2(CCHH){1|S<4>,2|C<4>}	H(C[6]N[6,6]N[6]H)	110.2175	0.049	2	108.6531	0.297	26	108.8530	0.891	28	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	N[6](C[6]N[6,6]HH)2(CCHH)	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|N<4>,6|H<1>}	N[6](C[6]N[6,6]HH)2(CCHH){4|C<4>}	H(C[6]N[6,6]N[6]H)	109.4810	0.014	2	108.6531	0.297	26	108.8530	0.891	28	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	N[6](C[6]N[6,6]HH)2(CCHH)	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{2|N<3>,6|H<1>}	N[6](C[6]N[6,6]HH)2(CCHH){3|C<4>}	H(C[6]N[6,6]N[6]H)	108.4356	0.078	22	108.6531	0.297	26	108.8530	0.891	28	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6,6]C[6,6]S[6])(N[6]C[6]C)(H)2	N[6](C[6]N[6,6]HH)2(CCHH)	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]S[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|O<1>,4|H<1>}	N[6](C[6]N[6,6]HH)2(CCHH){1|S<4>,2|C<4>}	H(C[6]N[6,6]N[6]H)	111.4515	1.442	2	111.4515	2.079	2	108.8530	0.891	28	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]2)(H)2	N[6](C[6]N[6,6]HH)2(C[6]C[6]2H)	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]2)(H)2{1|N<3>,1|N<4>,2|C<4>,7|H<1>}	N[6](C[6]N[6,6]HH)2(C[6]C[6]2H){1|N<3>,3|H<1>,6|C<4>}	H(C[6]N[6,6]N[6]H)	109.4660	0.007	2	108.8302	0.184	9	108.8302	0.184	9	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]2)(H)2	N[6](C[6]N[6,6]HH)2(C[6]C[6]2H)	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]2)(H)2{1|N<3>,1|N<4>,2|C<4>,7|H<1>}	N[6](C[6]N[6,6]HH)2(C[6]C[6]2H){1|N<3>,4|H<1>,5|C<4>}	H(C[6]N[6,6]N[6]H)	108.6486	0.268	7	108.8302	0.184	9	108.8302	0.184	9	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]S)(H)2	N[6](C[6]N[6,6]HH)2(SCOO)	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]S)(H)2{1|C<4>,1|N<3>,6|H<1>}	N[6](C[6]N[6,6]HH)2(SCOO){1|S<4>,2|C<4>}	H(C[6]N[6,6]N[6]H)	108.4715	2.022	2	108.4715	4.087	2	108.5147	4.455	4	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](N[6,6]C[6,6]S[6])(N[6]C[6]S)(H)2	N[6](C[6]N[6,6]HH)2(SCOO)	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]S[6])(N[6]C[6]S)(H)2{1|C<4>,1|N<3>,2|O<1>,4|H<1>}	N[6](C[6]N[6,6]HH)2(SCOO){1|S<4>,2|C<4>}	H(C[6]N[6,6]N[6]H)	108.5580	3.045	2	108.5580	9.271	2	108.5147	4.455	4	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5,6]C[6])(C[6]N[6]O)(H)2	N[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C[6])(C[6]N[6]O)(H)2{3|H<1>,4|C<4>}	N[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)2{1|N<3>,1|O<1>,2|H<1>,6|C<4>}	H(C[6]C[6]N[6]H)	107.8600	0.010	2	107.8600	0.000	2	107.8600	0.000	2	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]C)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	108.8020	0.049	4	108.8020	0.002	4	108.9234	0.076	5	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]H)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	109.4090	0.000	1	109.4090	0.000	1	108.9234	0.076	5	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[3]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[3]C[6])2(H)2	N[6](C[3]C[3]2H)(C[6]N[6]HH)2	H(C[6]N[6]2H)	C[6](N[6]C[3]C[6])2(H)2{1|N<3>,4|C<4>,6|H<1>}	N[6](C[3]C[3]2H)(C[6]N[6]HH)2{3|C<4>,4|H<1>}	H(C[6]N[6]2H)	109.3782	0.311	9	109.3782	0.097	9	109.3782	0.097	9	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(N[6]C[5,6]S)(H)2	N[6](C[5,6]C[5,6]N[5]H)(C[6]N[6]HH)(SC[6a]OO)	H(C[6]N[6]2H)	C[6](N[6]C[6a]C[6])(N[6]C[5,6]S)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[6](C[5,6]C[5,6]N[5]H)(C[6]N[6]HH)(SC[6a]OO){1|N<3>,2|C<4>,3|C<3>}	H(C[6]N[6]2H)	109.5850	0.000	1	109.5850	0.000	1	109.5850	0.000	1	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6]C)(N[6]C[6]C)(H)2	N[6](C[6,6]N[6,6]Ga[6]H)(C[6]N[6]HH)(CH3)	H(C[6]N[6]2H)	C[6](N[6]C[6,6]C)(N[6]C[6]C)(H)2{1|Ga<4>,1|N<4>,3|H<1>}	N[6](C[6,6]N[6,6]Ga[6]H)(C[6]N[6]HH)(CH3){1|Ga<4>,1|N<4>,5|C<4>}	H(C[6]N[6]2H)	109.2630	0.014	2	109.2630	0.000	2	109.2630	0.000	2	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6]C)(N[6]C[6]C)(H)2	N[6](C[6]N[6,6]HH)(C[6]N[6]HH)(CH3)	H(C[6]N[6]2H)	C[6](N[6]C[6,6]C)(N[6]C[6]C)(H)2{1|Ga<4>,1|N<4>,3|H<1>}	N[6](C[6]N[6,6]HH)(C[6]N[6]HH)(CH3){1|Ga<4>,3|C<4>}	H(C[6]N[6]2H)	109.3030	0.016	2	109.3030	0.000	2	109.2718	0.542	212	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(CCHH)	H(C[6]N[6]2H)	C[6](N[6]C[6,6a]C)(N[6]C[6]C)(H)2{1|C<3>,1|N<2>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(CCHH){1|C<4>,2|C<3>}	H(C[6]N[6]2H)	108.6690	0.000	1	108.6690	0.000	1	109.2718	0.542	212	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6]C)(N[6]C[6]H)(H)2	N[6](C[6]N[6]HH)2(CCHH)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)(N[6]C[6]H)(H)2{1|N<2>,1|N<3>,2|H<1>}	N[6](C[6]N[6]HH)2(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(C[6]N[6]2H)	109.4495	0.028	2	109.4495	0.001	2	109.2718	0.542	212	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6]C)(N[6]C[6]H)(H)2	N[6](C[6]N[6]HH)2(CC[5]HH)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)(N[6]C[6]H)(H)2{1|N<2>,1|N<3>,2|H<1>}	N[6](C[6]N[6]HH)2(CC[5]HH){1|C<3>,1|C<4>,1|H<1>}	H(C[6]N[6]2H)	109.3790	0.000	1	109.3790	0.000	1	109.2718	0.542	212	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6]C)(N[6]C[6]H)(H)2	N[6](C[6]N[6]HH)2(CC[6a]HH)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)(N[6]C[6]H)(H)2{1|N<2>,1|N<3>,2|H<1>}	N[6](C[6]N[6]HH)2(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	H(C[6]N[6]2H)	109.3460	0.000	1	109.3460	0.000	1	109.2718	0.542	212	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6]C)(N[6]C[6]H)(H)2	N[6](C[6]N[6]HH)2(CH3)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)(N[6]C[6]H)(H)2{1|N<2>,1|N<3>,2|H<1>}	N[6](C[6]N[6]HH)2(CH3){1|C<3>,1|C<4>,1|H<1>}	H(C[6]N[6]2H)	109.2717	0.124	3	109.2717	0.015	3	109.2718	0.542	212	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6]C)(N[6]C[6]H)(H)2	N[6](C[6]N[6]HH)2(CN[6]HH)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>}	N[6](C[6]N[6]HH)2(CN[6]HH){1|C<3>,2|H<1>}	H(C[6]N[6]2H)	109.5313	0.089	6	109.5313	0.008	6	109.2718	0.542	212	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6]C)(N[6]C[6]S)(H)2	N[6](C[6]N[6]HH)2(CC3)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)(N[6]C[6]S)(H)2{1|N<3>,4|H<1>}	N[6](C[6]N[6]HH)2(CC3){1|C<4>,2|S<4>}	H(C[6]N[6]2H)	109.4392	0.055	9	109.4392	0.003	9	109.2718	0.542	212	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CC[6a]HH)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)2(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CC[6a]HH){1|C<3>,1|N<3>,2|C<4>}	H(C[6]N[6]2H)	109.7115	0.006	2	109.7115	0.000	2	109.2718	0.542	212	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CCCH)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)2(H)2{1|C<3>,1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CCCH){1|C<3>,1|C<4>,1|N<3>}	H(C[6]N[6]2H)	110.3750	0.000	1	110.3750	0.000	1	109.2718	0.542	212	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)2(H)2{1|C<3>,1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>}	H(C[6]N[6]2H)	108.7255	0.028	2	109.2590	0.133	7	109.2718	0.542	212	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)2(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH){2|C<4>,2|H<1>}	H(C[6]N[6]2H)	109.4724	0.008	5	109.2590	0.133	7	109.2718	0.542	212	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CN[6]HH)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)2(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CN[6]HH){2|C<4>,2|H<1>}	H(C[6]N[6]2H)	109.4705	0.008	2	109.4705	0.000	2	109.2718	0.542	212	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]AlH)(C[6]N[6]HH)(CH3)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)2(H)2{1|Al<4>,1|N<4>,3|H<1>}	N[6](C[6]N[6]AlH)(C[6]N[6]HH)(CH3){1|Al<4>,3|C<4>}	H(C[6]N[6]2H)	109.3230	0.040	3	109.3230	0.002	3	109.2718	0.542	212	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)(C[6]P[6]HH)(CC[6a]HH)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)2(H)2{1|P<3>,4|H<1>}	N[6](C[6]N[6]HH)(C[6]P[6]HH)(CC[6a]HH){3|C<4>}	H(C[6]N[6]2H)	109.3600	0.044	6	109.4560	0.016	10	109.2718	0.542	212	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)(C[6]P[6]HH)(CC[6a]HH)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)2(H)2{1|P<4>,4|H<1>}	N[6](C[6]N[6]HH)(C[6]P[6]HH)(CC[6a]HH){1|Pd<4>,3|C<4>}	H(C[6]N[6]2H)	109.6000	0.014	4	109.4560	0.016	10	109.2718	0.542	212	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)(C[6]S[6]HH)(CCHH)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)2(H)2{1|S<1>,1|S<2>,2|H<1>}	N[6](C[6]N[6]HH)(C[6]S[6]HH)(CCHH){1|C<3>,1|C<4>}	H(C[6]N[6]2H)	108.6370	0.000	1	108.6370	0.000	1	109.2718	0.542	212	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)2(CC3)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)2(H)2{1|N<3>,1|O<1>,2|H<1>}	N[6](C[6]N[6]HH)2(CC3){1|C<3>,2|C<4>}	H(C[6]N[6]2H)	109.0794	0.145	25	109.0794	0.021	25	109.2718	0.542	212	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)2(CCHH)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)2(H)2{1|N<2>,1|N<3>,2|H<1>}	N[6](C[6]N[6]HH)2(CCHH){1|C<3>,1|C<4>,1|H<1>}	H(C[6]N[6]2H)	109.2030	0.042	2	109.2030	0.002	2	109.2718	0.542	212	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)2(CC[5]HH)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)2(H)2{1|N<2>,1|N<3>,2|H<1>}	N[6](C[6]N[6]HH)2(CC[5]HH){1|C<3>,1|C<4>,1|H<1>}	H(C[6]N[6]2H)	109.2325	0.005	2	109.2325	0.000	2	109.2718	0.542	212	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)2(CC[6]HH)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)2(H)2{1|N<4>,4|H<1>}	N[6](C[6]N[6]HH)2(CC[6]HH){1|Cu<5>,3|C<4>}	H(C[6]N[6]2H)	109.4625	0.032	2	109.4625	0.001	2	109.2718	0.542	212	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)2(CC[6a]HH)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)2(H)2{1|N<2>,1|N<3>,2|H<1>}	N[6](C[6]N[6]HH)2(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	H(C[6]N[6]2H)	109.3010	0.014	2	109.3036	0.069	20	109.2718	0.542	212	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)2(CC[6a]HH)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)2(H)2{1|N<3>,1|S<1>,2|H<1>}	N[6](C[6]N[6]HH)2(CC[6a]HH){1|C<3>,2|C<4>}	H(C[6]N[6]2H)	109.1030	0.615	3	109.3036	0.069	20	109.2718	0.542	212	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)2(CC[6a]HH)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)2(H)2{1|N<3>,3|H<1>}	N[6](C[6]N[6]HH)2(CC[6a]HH){1|C<3>,2|C<4>}	H(C[6]N[6]2H)	109.4137	0.121	3	109.3036	0.069	20	109.2718	0.542	212	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)2(CC[6a]HH)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)2(H)2{1|N<3>,4|H<1>}	N[6](C[6]N[6]HH)2(CC[6a]HH){3|C<4>}	H(C[6]N[6]2H)	109.3042	0.191	10	109.3036	0.069	20	109.2718	0.542	212	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)2(CC[6a]HH)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)2(H)2{1|N<4>,4|H<1>}	N[6](C[6]N[6]HH)2(CC[6a]HH){1|Cu<5>,3|C<4>}	H(C[6]N[6]2H)	109.4385	0.009	2	109.3036	0.069	20	109.2718	0.542	212	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)2(CH3)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)2(H)2{1|Al<4>,1|N<4>,3|H<1>}	N[6](C[6]N[6]HH)2(CH3){1|Al<4>,3|C<4>}	H(C[6]N[6]2H)	109.2995	0.023	4	109.2544	1.230	79	109.2718	0.542	212	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)2(CH3)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)2(H)2{1|N<2>,1|N<3>,2|H<1>}	N[6](C[6]N[6]HH)2(CH3){1|C<3>,1|C<4>,1|H<1>}	H(C[6]N[6]2H)	108.9412	0.298	4	109.2544	1.230	79	109.2718	0.542	212	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)2(CH3)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)2(H)2{1|N<2>,1|N<3>,2|H<1>}	N[6](C[6]N[6]HH)2(CH3){1|C<3>,2|C<4>}	H(C[6]N[6]2H)	109.3465	0.088	8	109.2544	1.230	79	109.2718	0.542	212	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)2(CH3)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)2(H)2{1|N<3>,4|H<1>}	N[6](C[6]N[6]HH)2(CH3){3|C<4>}	H(C[6]N[6]2H)	109.1605	1.268	43	109.2544	1.230	79	109.2718	0.542	212	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)2(CH3)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)2(H)2{1|N<4>,4|H<1>}	N[6](C[6]N[6]HH)2(CH3){1|H<1>,3|C<4>}	H(C[6]N[6]2H)	109.4505	2.903	4	109.2544	1.230	79	109.2718	0.542	212	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)2(CH3)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)2(H)2{1|Si<4>,1|N<3>,3|H<1>}	N[6](C[6]N[6]HH)2(CH3){3|C<4>}	H(C[6]N[6]2H)	109.4681	0.267	14	109.2544	1.230	79	109.2718	0.542	212	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]HH)2(CH3)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)2(H)2{1|Si<4>,1|N<4>,3|H<1>}	N[6](C[6]N[6]HH)2(CH3){1|Al<4>,3|C<4>}	H(C[6]N[6]2H)	109.5510	0.048	2	109.2544	1.230	79	109.2718	0.542	212	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]SiH)(C[6]N[6]HH)(CH3)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)2(H)2{1|Si<4>,1|N<3>,3|H<1>}	N[6](C[6]N[6]SiH)(C[6]N[6]HH)(CH3){3|C<4>}	H(C[6]N[6]2H)	109.3150	0.867	13	109.3537	0.654	15	109.2718	0.542	212	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6]C)2(H)2	N[6](C[6]N[6]SiH)(C[6]N[6]HH)(CH3)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)2(H)2{1|Si<4>,1|N<4>,3|H<1>}	N[6](C[6]N[6]SiH)(C[6]N[6]HH)(CH3){1|Al<4>,3|C<4>}	H(C[6]N[6]2H)	109.6050	0.004	2	109.3537	0.654	15	109.2718	0.542	212	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2	N[6](C[6]N[6]HH)(C[6]S[6]HH)(CCHH)	H(C[6]N[6]2H)	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2{1|S<1>,1|S<2>,2|C<3>,2|H<1>}	N[6](C[6]N[6]HH)(C[6]S[6]HH)(CCHH){2|C<3>}	H(C[6]N[6]2H)	108.4100	0.008	2	108.4100	0.000	2	109.2718	0.542	212	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2	N[6](C[6]N[6]HH)2(CCCH)	H(C[6]N[6]2H)	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2{1|N<3>,2|C<3>,4|H<1>}	N[6](C[6]N[6]HH)2(CCCH){1|C<4>,2|C<3>}	H(C[6]N[6]2H)	109.2900	0.020	3	109.2900	0.000	3	109.2718	0.542	212	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2	N[6](C[6]N[6]HH)2(CCHH)	H(C[6]N[6]2H)	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2{1|N<3>,2|C<3>,4|H<1>}	N[6](C[6]N[6]HH)2(CCHH){1|C<4>,2|C<3>}	H(C[6]N[6]2H)	109.1916	0.098	11	109.1916	0.010	11	109.2718	0.542	212	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6]2)2(H)2	N[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]HH)	H(C[6]N[6]2H)	C[6](N[6]C[6]2)2(H)2{5|H<1>,6|C<4>}	N[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]HH){1|N<3>,4|C<4>,5|H<1>}	H(C[6]N[6]2H)	109.6765	0.013	2	109.6765	0.000	2	109.6800	0.000	4	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6]2)2(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]HH)	H(C[6]N[6]2H)	C[6](N[6]C[6]2)2(H)2{5|H<1>,6|C<4>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]HH){1|N<3>,4|C<4>,5|H<1>}	H(C[6]N[6]2H)	109.6835	0.029	2	109.6835	0.001	2	109.6800	0.000	4	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:P-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(PCCN)	H(C[6]N[6]2H)	C[6](N[6]C[6a]C[6])(N[6]C[6]P)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]HH)(PCCN){1|C<3>,1|C<4>,2|H<1>}	H(C[6]N[6]2H)	109.1820	0.000	1	109.1820	0.000	1	109.1820	0.000	1	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6]C)(N[6]C[6]S)(H)2	N[6](C[6]N[6]HH)2(SC[6a]OO)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)(N[6]C[6]S)(H)2{1|N<3>,4|H<1>}	N[6](C[6]N[6]HH)2(SC[6a]OO){1|S<4>,2|C<4>}	H(C[6]N[6]2H)	109.4412	0.065	9	109.4412	0.004	9	109.7842	0.597	29	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6]S)2(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(SC[6a]OO)	H(C[6]N[6]2H)	C[6](N[6]C[6]S)2(H)2{1|C<3>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|S<4>}	H(C[6]N[6]2H)	109.2828	1.418	6	109.3433	1.701	7	109.7842	0.597	29	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6]S)2(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(SC[6a]OO)	H(C[6]N[6]2H)	C[6](N[6]C[6]S)2(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	H(C[6]N[6]2H)	109.7060	0.000	1	109.3433	1.701	7	109.7842	0.597	29	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6]S)2(H)2	N[6](C[6]N[6]HH)2(SC[6a]OO)	H(C[6]N[6]2H)	C[6](N[6]C[6]S)2(H)2{1|N<3>,4|H<1>}	N[6](C[6]N[6]HH)2(SC[6a]OO){1|C<4>,2|S<4>}	H(C[6]N[6]2H)	109.9244	0.177	5	110.2592	0.092	13	109.7842	0.597	29	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6]S)2(H)2	N[6](C[6]N[6]HH)2(SC[6a]OO)	H(C[6]N[6]2H)	C[6](N[6]C[6]S)2(H)2{1|N<3>,4|H<1>}	N[6](C[6]N[6]HH)2(SC[6a]OO){1|S<4>,2|C<4>}	H(C[6]N[6]2H)	110.4684	0.102	8	110.2592	0.092	13	109.7842	0.597	29	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:N[6]-3:H-1:H-1:	S[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(N[6]S[6]C)(H)2	N[6](S[6]C[6,6a]OO)(C[6]N[6]HH)(CC[6a]HH)	H(C[6]N[6]2H)	C[6](N[6]C[6,6a]C)(N[6]S[6]C)(H)2{2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]N[6]HH)(CC[6a]HH){1|C<4>,2|C<3>}	H(C[6]N[6]2H)	109.1730	0.021	2	109.1730	0.000	2	109.1730	0.000	2	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:1:1:	4:4:4:	4:	N[6]-3:P[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6]C)(P[6]C[6]C)(H)2	N[6](C[6]N[6]HH)(C[6]P[6]HH)(CC[6a]HH)	H(C[6]N[6]P[6]H)	C[6](N[6]C[6]C)(P[6]C[6]C)(H)2{1|N<3>,4|H<1>}	N[6](C[6]N[6]HH)(C[6]P[6]HH)(CC[6a]HH){3|C<4>}	H(C[6]N[6]P[6]H)	108.7398	0.087	8	108.7398	0.008	8	108.7398	0.008	8	109.3121	0.621	1109	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:2:1:	3:3:4:	4:	N[6]-3:N[6]-3:O-2:H-1:	N[6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]N[6])2(OC)(H)	N[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HO)	H(C[6]N[6]2O)	C[6](N[6]C[6a]N[6])2(OC)(H){1|N<2>,5|C<3>}	N[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HO){1|H<1>,1|O<2>,2|N<2>,5|C<3>}	H(C[6]N[6]2O)	109.7470	0.000	1	109.7470	0.000	1	109.7470	0.000	1	109.7470	0.000	1	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:2:1:	3:4:1:	4:	N[6]-3:C[6a]-3:N[6]-2:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H){1|H<1>,1|O<2>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,5|C<3>}	H(C[6]C[6a]N[6]2)	105.2720	0.000	1	106.3033	0.821	3	106.3033	0.821	3	107.2270	3.960	4	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:2:1:	3:4:1:	4:	N[6]-3:C[6a]-3:N[6]-2:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H){4|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6a]N[6]2)	106.8190	0.218	2	106.3033	0.821	3	106.3033	0.821	3	107.2270	3.960	4	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:2:1:	3:4:1:	4:	N[6]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(H)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]O[6]H)(H)	H(C[6]C[6a]N[6]O[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]O[6]H)(H){2|C<4>,4|C<3>}	H(C[6]C[6a]N[6]O[6])	109.9980	0.000	1	109.9980	0.000	1	109.9980	0.000	1	107.2270	3.960	4	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:2:1:	3:4:4:	4:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CN)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(CH3)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CN)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(CH3){1|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]C)	108.3440	0.000	1	108.3440	0.000	1	108.3440	0.000	1	108.4256	0.540	5	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:2:1:	3:4:4:	4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(OC)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HO)(CH3)	H(C[6]C[6,6a]N[6]O)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(OC)(H){1|O<2>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HO)(CH3){5|C<3>}	H(C[6]C[6,6a]N[6]O)	108.4025	0.326	2	108.4025	0.106	2	108.4025	0.106	2	108.4256	0.540	5	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:2:1:	3:4:4:	4:	N[6]-3:C[6]-3:O-2:H-1:	C[5,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]N[6]O)(OH)(H)	N[6](C[5,6]C[5,6]N[5])(C[6]C[6]HO)(CC[6a]CH)	H(C[6]C[6]N[6]O)	C[6](N[6]C[5,6]C)(C[6]N[6]O)(OH)(H){1|C<3>,1|C<4>,1|N<3>}	N[6](C[5,6]C[5,6]N[5])(C[6]C[6]HO)(CC[6a]CH){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[6]N[6]O)	109.4990	0.000	1	109.4990	0.000	1	109.4990	0.000	1	108.4256	0.540	5	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:2:1:	3:4:4:	4:	N[6]-3:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(OH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CC[6a]HH)	H(C[6]C[6]N[6]O)	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(OH)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]N[6]O)	107.4800	0.000	1	107.4800	0.000	1	107.4800	0.000	1	108.4256	0.540	5	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:2:1:	4:2:4:	4:	C[6a]-3:N[6]-3:O[6]-2:H-1:	C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]O[6]C)(O[6]C[6])(H)	N[6](C[6]C[6a]O[6]H)(O[6]C[6])(CH3)	H(C[6]C[6a]N[6]O[6])	C[6](C[6a]C[6a]2)(N[6]O[6]C)(O[6]C[6])(H){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6]C[6a]O[6]H)(O[6]C[6])(CH3){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6a]N[6]O[6])	110.1215	0.063	2	110.1215	0.004	2	110.1215	0.004	2	110.1215	0.004	2	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:2:1:	4:3:4:	4:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN)(H)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN)(H){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	H(C[6]C[6,6a]N[6]C)	107.8620	0.266	2	107.8620	0.071	2	107.8620	0.071	2	107.8620	0.071	2	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:2:1:	4:4:1:	4:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6]-4:S[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CC)(H)	N[6](C[6]C[6,6a]CH)(S[6]O[6]OO)(H)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CC)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	N[6](C[6]C[6,6a]CH)(S[6]O[6]OO)(H){2|C<3>}	H(C[6]C[6,6a]N[6]C)	106.7460	0.000	1	106.7460	0.000	1	106.7460	0.000	1	107.2197	0.653	3	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:2:1:	4:4:1:	4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(OH)(H)	N[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)	H(C[6]C[6,6a]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]O)	108.1530	0.000	1	108.1530	0.000	1	108.1530	0.000	1	107.2197	0.653	3	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:2:1:	4:4:1:	4:	C[6a]-3:N[6]-3:N[6]-2:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(H)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(H){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(H){1|H<1>,6|C<3>}	H(C[6]C[6a]N[6]2)	106.7600	0.000	1	106.7600	0.000	1	106.7600	0.000	1	107.2197	0.653	3	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:2:1:	4:4:3:	4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(OC[6a])(H)	N[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(NCC)	H(C[6]C[6,6a]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(OC[6a])(H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(NCC){2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]O)	107.7500	0.000	1	107.7500	0.000	1	107.7500	0.000	1	107.5965	0.047	2	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:2:1:	4:4:3:	4:	N[6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	N[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2)	H(C[6]C[6a]N[6]O[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,3|H<1>,6|C<3>}	N[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2){2|H<1>,6|C<3>}	H(C[6]C[6a]N[6]O[6])	107.4430	0.000	1	107.4430	0.000	1	107.4430	0.000	1	107.5965	0.047	2	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:2:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]CH){2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]C)	108.0725	0.327	2	108.0725	0.107	2	108.0725	0.107	2	107.3561	1.334	15	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:2:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6]-4:S[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]C)(OC)(H)	N[6](C[6]C[6,6a]HO)(S[6]O[6]OO)(CCHH)	H(C[6]C[6,6a]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]C)(OC)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	N[6](C[6]C[6,6a]HO)(S[6]O[6]OO)(CCHH){2|C<3>}	H(C[6]C[6,6a]N[6]O)	109.3725	0.090	2	109.3725	0.008	2	108.8103	0.952	3	107.3561	1.334	15	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:2:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6]-4:S[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]C)(OC)(H)	N[6](C[6]C[6,6a]HO)(S[6]O[6]OO)(CC[3]HH)	H(C[6]C[6,6a]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]C)(OC)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	N[6](C[6]C[6,6a]HO)(S[6]O[6]OO)(CC[3]HH){2|C<3>}	H(C[6]C[6,6a]N[6]O)	107.6860	0.000	1	107.6860	0.000	1	108.8103	0.952	3	107.3561	1.334	15	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:2:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O[6]C[6])(H)	N[6](C[6]C[6,6a]O[6]H)(C[6]C[6]HH)2	H(C[6]C[6,6a]N[6]O[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O[6]C[6])(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	N[6](C[6]C[6,6a]O[6]H)(C[6]C[6]HH)2{1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]N[6]O[6])	107.4520	0.000	1	107.4520	0.000	1	107.4520	0.000	1	107.3561	1.334	15	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:2:1:	4:4:4:	4:	C[6]-3:N[6]-3:O-2:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(OH)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(SC[6a]OO)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6]H)(N[6]C[6]S)(OH)(H){2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(SC[6a]OO){1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6]N[6]O)	107.9110	0.000	1	107.9110	0.000	1	107.9110	0.000	1	107.3561	1.334	15	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:2:1:	4:4:4:	4:	C[6a]-3:N[6]-3:O[6]-2:H-1:	C[5,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[5,6]C)(O[6]C[6])(H)	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]O[6]H)(CC[6a]HH)	H(C[6]C[6a]N[6]O[6])	C[6](C[6a]C[6a]2)(N[6]C[5,6]C)(O[6]C[6])(H){2|C<4>,3|C<3>,4|H<1>}	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]O[6]H)(CC[6a]HH){3|C<4>,4|C<3>}	H(C[6]C[6a]N[6]O[6])	107.2360	0.201	3	107.2360	0.040	3	107.2360	0.040	3	107.3561	1.334	15	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:2:1:	4:4:4:	4:	C[6a]-3:N[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(CC[6a]HH)	H(C[6]C[6a]N[6]O[6])	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(H){3|C<3>,3|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(CC[6a]HH){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6a]N[6]O[6])	106.2630	0.077	3	106.3890	0.067	4	106.3890	0.067	4	107.3561	1.334	15	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:2:1:	4:4:4:	4:	C[6a]-3:N[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(CC[6a]HH)	H(C[6]C[6a]N[6]O[6])	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(H){3|C<3>,3|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(CC[6a]HH){3|C<4>,4|C<3>}	H(C[6]C[6a]N[6]O[6])	106.7670	0.000	1	106.3890	0.067	4	106.3890	0.067	4	107.3561	1.334	15	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:2:1:	4:4:4:	4:	C[6a]-3:N[6]-3:S[6]-2:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6]S)(S[6]C[6])(H)	N[6](C[6]C[6a]S[6]H)(C[6]C[6]CC)(SC[6a]OO)	H(C[6]C[6a]N[6]S[6])	C[6](C[6a]C[6a]2)(N[6]C[6]S)(S[6]C[6])(H){1|C<4>,4|C<3>,4|H<1>}	N[6](C[6]C[6a]S[6]H)(C[6]C[6]CC)(SC[6a]OO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6a]N[6]S[6])	105.1390	0.000	1	105.1390	0.000	1	105.1390	0.000	1	107.3561	1.334	15	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	3:4:1:	4:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(H)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(H){1|H<1>,1|N<3>,5|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	109.2710	0.000	1	109.2710	0.000	1	109.2710	0.000	1	108.8337	0.909	36	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	3:4:1:	4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(H){1|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.2170	0.000	1	107.2170	0.000	1	107.2170	0.000	1	108.8337	0.909	36	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	3:4:1:	4:	C[6]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[3]C[6])(N[6]C[6,6a]H)(COO)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[3]C[6])(N[6]C[6,6a]H)(COO)(H){2|C<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]C)	109.3170	0.000	1	109.3170	0.000	1	109.3170	0.000	1	108.8337	0.909	36	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	3:4:1:	4:	C[6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|H<1>,1|N<2>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	108.4790	0.000	1	108.4790	0.000	1	108.4790	0.000	1	108.8337	0.909	36	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	3:4:1:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]H)2(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(H)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]H)2(H){1|O<2>,6|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(H){2|H<1>,5|C<3>}	H(C[6]C[6a]N[6]2)	109.5650	0.038	2	109.5650	0.001	2	109.1877	0.428	3	108.8337	0.909	36	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	3:4:1:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]C[6]S)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]C[6]S)(H){3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|S<4>,3|C<3>}	H(C[6]C[6a]N[6]2)	108.4330	0.000	1	108.4330	0.000	1	109.1877	0.428	3	108.8337	0.909	36	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	3:4:1:	4:	N[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H)	H(C[6]N[5a,6]C[6a]N[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H){1|H<1>,1|N<2>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H){1|H<1>,1|N<2>,5|C<3>}	H(C[6]N[5a,6]C[6a]N[6])	108.2160	0.000	1	108.2160	0.000	1	108.2160	0.000	1	108.8337	0.909	36	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	3:4:1:	4:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H)	H(C[6]N[5a,6]C[6a]N[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|N<3>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H){1|H<1>,6|C<3>}	H(C[6]N[5a,6]C[6a]N[6])	108.5870	0.000	1	108.8380	0.264	5	108.8380	0.264	5	108.8337	0.909	36	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	3:4:1:	4:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H)	H(C[6]N[5a,6]C[6a]N[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|O<2>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H){1|H<1>,6|C<3>}	H(C[6]N[5a,6]C[6a]N[6])	108.9375	0.687	2	108.8380	0.264	5	108.8380	0.264	5	108.8337	0.909	36	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	3:4:1:	4:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H)	H(C[6]N[5a,6]C[6a]N[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H){1|H<1>,6|C<3>}	H(C[6]N[5a,6]C[6a]N[6])	108.8640	0.707	2	108.8380	0.264	5	108.8380	0.264	5	108.8337	0.909	36	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	3:4:1:	4:	N[6,6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a]H)(H)	H(C[6]N[6,6]C[6a]N[6])	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H){2|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a]H)(H){1|H<1>,2|N<2>,4|C<3>}	H(C[6]N[6,6]C[6a]N[6])	108.3700	0.000	1	108.3700	0.000	1	108.3700	0.000	1	108.8337	0.909	36	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	3:4:1:	4:	N[6]-3:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]N[6]O)(CCS)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]H)(C[6]N[6]O)(CCS)(H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]N[6]C)	107.8100	0.000	1	107.8100	0.000	1	107.8100	0.000	1	108.8337	0.909	36	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	3:4:1:	4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.3150	0.000	1	108.3150	0.000	1	108.3150	0.000	1	108.8337	0.909	36	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	3:4:1:	4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|N<3>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]N[6]2)	108.1520	0.000	1	108.3997	0.757	3	108.0132	0.739	5	108.8337	0.909	36	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	3:4:1:	4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){2|H<1>,5|C<3>}	H(C[6]C[6a]N[6]2)	108.5235	1.193	2	108.3997	0.757	3	108.0132	0.739	5	108.8337	0.909	36	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	3:4:1:	4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]N)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]N)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,1|N<2>,5|C<3>}	H(C[6]C[6a]N[6]2)	107.0330	0.000	1	107.0330	0.000	1	108.0132	0.739	5	108.8337	0.909	36	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	3:4:1:	4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]S)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]S)(H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	H(C[6]C[6a]N[6]2)	107.8340	0.000	1	107.8340	0.000	1	108.0132	0.739	5	108.8337	0.909	36	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	3:4:1:	4:	N[6]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CCC)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)	H(C[6]N[6]2C)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CCC)(H){1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[6]2C)	109.1300	0.168	2	109.1300	0.028	2	108.5750	0.891	8	108.8337	0.909	36	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	3:4:1:	4:	N[6]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CCH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)	H(C[6]N[6]2C)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CCH)(H){1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[6]2C)	107.5853	0.189	3	107.5853	0.036	3	108.5750	0.891	8	108.8337	0.909	36	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	3:4:1:	4:	N[6]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CC[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)	H(C[6]N[6]2C)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CC[6a]C)(H){1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[6]2C)	108.2180	0.000	1	108.2180	0.000	1	108.5750	0.891	8	108.8337	0.909	36	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	3:4:1:	4:	N[6]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)2(CCH)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CH)(H)	H(C[6]N[6]2C)	C[6](N[6]C[6,6a]H)2(CCH)(H){3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CH)(H){2|H<1>,3|C<3>}	H(C[6]N[6]2C)	109.6830	0.027	2	109.6830	0.001	2	108.5750	0.891	8	108.8337	0.909	36	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	3:4:1:	4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)2(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]H)2(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,5|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(H){2|H<1>,5|C<3>}	H(C[6]C[6a]N[6]2)	110.0854	0.257	7	110.0854	0.066	7	110.0854	0.066	7	108.8337	0.909	36	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[5a,6]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C[6a])(C[6a]C[6a]2)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C[6a])(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,2|H<1>,7|C<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,8|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.3710	0.000	1	107.3710	0.000	1	107.3710	0.000	1	107.3710	0.000	1	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	3:4:4:	4:	C[5,6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6a]S)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(SC[6a]OO)	H(C[6]C[5,6]C[6a]N[6])	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6a]S)(C[6a]C[6a]2)(H){4|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(SC[6a]OO){1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[5,6]C[6a]N[6])	107.9390	0.000	1	107.9390	0.000	1	107.9390	0.000	1	107.7602	1.897	11	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	3:4:4:	4:	C[5a,6]-3:C[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[5a]C[5a]O[5a])(N[6]C[6,6a]S)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[5a]H)(SC[6a]OO)	H(C[6]C[5a,6]C[5a]N[6])	C[6](C[5a,6]N[5a,6]C[5a])(C[5a]C[5a]O[5a])(N[6]C[6,6a]S)(H){2|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[5a]H)(SC[6a]OO){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	H(C[6]C[5a,6]C[5a]N[6])	108.7280	0.000	1	108.7280	0.000	1	108.7280	0.000	1	107.7602	1.897	11	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	3:4:4:	4:	C[5a]-3:N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6,6a]C)(C[6]N[6]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CC[6a]HH)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6,6a]C)(C[6]N[6]O)(H){1|N<3>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[6]C[5a]C[6]N[6])	106.0283	0.159	3	106.0283	0.025	3	106.0283	0.025	3	107.7602	1.897	11	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	3:4:4:	4:	N[5,6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[5,6]C[5,6]O[5])(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(CH3)	H(C[6]N[5,6]C[6a]N[6])	C[6](N[5,6]C[5,6]O[5])(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(CH3){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(C[6]N[5,6]C[6a]N[6])	110.3190	0.000	1	110.3190	0.000	1	110.3190	0.000	1	107.7602	1.897	11	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	3:4:4:	4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH){2|H<1>,5|C<3>}	H(C[6]C[6a]N[6]2)	108.6960	0.052	2	108.6960	0.003	2	108.6960	0.003	2	107.7602	1.897	11	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	3:4:4:	4:	N[6]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(N[6]C[6]C)(CC[6a]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(SC[6a]OO)	H(C[6]N[6]2C)	C[6](N[6]C[6,6a]S)(N[6]C[6]C)(CC[6a]C)(H){1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[6]2C)	107.4720	0.000	1	107.4720	0.000	1	107.4720	0.000	1	107.7602	1.897	11	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	3:4:4:	4:	N[6]-3:N[6]-3:C-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CC[6a]C)(H)	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CH3)	H(C[6]N[6]2C)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CC[6a]C)(H){1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]N[6]CH)(CH3){1|H<1>,2|C<3>}	H(C[6]N[6]2C)	108.2450	0.000	1	108.2450	0.000	1	108.2450	0.000	1	107.7602	1.897	11	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	3:4:4:	4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]C)2(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5a]HH)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]C)2(C[6a]C[6a]2)(H){2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5a]HH){1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[6a]N[6]2)	107.1820	0.000	1	107.1820	0.000	1	107.1820	0.000	1	107.7602	1.897	11	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:2:4:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6]S)(N[6]O[6]C)(H)	N[6](C[6]C[6a]N[6]H)(O[6]C[6])(CH3)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]2)(N[6]C[6]S)(N[6]O[6]C)(H){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6]C[6a]N[6]H)(O[6]C[6])(CH3){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	H(C[6]C[6a]N[6]2)	107.2940	0.000	1	105.8790	4.004	2	105.8790	4.004	2	105.8790	4.004	2	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:2:4:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6]S)(N[6]O[6]C)(H)	N[6](C[6]C[6a]N[6]H)(O[6]C[6])(CH3)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]2)(N[6]C[6]S)(N[6]O[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6a]N[6]H)(O[6]C[6])(CH3){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	H(C[6]C[6a]N[6]2)	104.4640	0.000	1	105.8790	4.004	2	105.8790	4.004	2	105.8790	4.004	2	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[5]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[5]N[5]2)(N[6]N[6]H)2(H)	N[6](C[6]C[5]N[6]H)(N[6]C[6]C)(H)	H(C[6]C[5]N[6]2)	C[6](C[5]N[5]2)(N[6]N[6]H)2(H){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[5]N[6]H)(N[6]C[6]C)(H){1|H<1>,1|O<1>,3|N<3>}	H(C[6]C[5]N[6]2)	107.9500	0.017	2	107.9500	0.000	2	107.9500	0.000	2	107.1959	2.260	19	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[5a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[5a]N[5a]2)(N[6]N[6]H)2(H)	N[6](C[6]C[5a]N[6]H)(N[6]C[6]C)(H)	H(C[6]C[5a]N[6]2)	C[6](C[5a]N[5a]2)(N[6]N[6]H)2(H){1|H<1>,2|C<4>,3|C<3>}	N[6](C[6]C[5a]N[6]H)(N[6]C[6]C)(H){1|H<1>,1|N<2>,1|O<1>,2|N<3>}	H(C[6]C[5a]N[6]2)	107.7930	1.247	2	107.6732	0.712	4	107.6732	0.712	4	107.1959	2.260	19	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[5a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[5a]N[5a]2)(N[6]N[6]H)2(H)	N[6](C[6]C[5a]N[6]H)(N[6]C[6]C)(H)	H(C[6]C[5a]N[6]2)	C[6](C[5a]N[5a]2)(N[6]N[6]H)2(H){1|H<1>,2|C<4>,3|C<3>}	N[6](C[6]C[5a]N[6]H)(N[6]C[6]C)(H){1|H<1>,1|N<2>,1|S<1>,2|N<3>}	H(C[6]C[5a]N[6]2)	107.5535	0.723	2	107.6732	0.712	4	107.6732	0.712	4	107.1959	2.260	19	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH)(H)	N[6](C[6]C[6,6a]HN)(C[6]O[6]O)(H)	H(C[6]C[6,6a]N[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[6](C[6]C[6,6a]HN)(C[6]O[6]O)(H){2|C<3>}	H(C[6]C[6,6a]N[6]N)	107.2650	0.000	1	107.2650	0.000	1	107.2650	0.000	1	107.1959	2.260	19	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|C<4>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.8680	0.000	1	107.8880	0.001	2	107.8880	0.001	2	107.1959	2.260	19	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.9080	0.000	1	107.8880	0.001	2	107.8880	0.001	2	107.1959	2.260	19	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(N[6]N[6]H)2(H)	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a,6a]C[6a])(N[6]N[6]H)2(H){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6a]N[6]2)	105.7635	1.224	2	105.7635	1.498	2	106.7089	3.685	10	107.1959	2.260	19	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]N[6]H)2(H)	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]2)(N[6]N[6]H)2(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6a]N[6]2)	105.0020	0.238	2	106.6945	3.865	4	106.7089	3.685	10	107.1959	2.260	19	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]N[6]H)2(H)	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]2)(N[6]N[6]H)2(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	H(C[6]C[6a]N[6]2)	108.3870	0.284	2	106.6945	3.865	4	106.7089	3.685	10	107.1959	2.260	19	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(N[6]N[6]H)2(H)	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]N[6a])(N[6]N[6]H)2(H){1|H<1>,2|C<4>,3|C<3>}	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<1>}	H(C[6]C[6a]N[6]2)	106.1385	2.553	2	106.1385	6.520	2	106.7089	3.685	10	107.1959	2.260	19	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:3:1:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6a]N[6a]2)(N[6]N[6]H)2(H)	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)	H(C[6]C[6a]N[6]2)	C[6](C[6a]N[6a]2)(N[6]N[6]H)2(H){2|C<4>,3|C<3>}	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|S<1>,2|N<2>}	H(C[6]C[6a]N[6]2)	108.2535	2.518	2	108.2535	6.340	2	106.7089	3.685	10	107.1959	2.260	19	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:3:2:	4:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:O[6]-2:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]O[6])(C[6a]C[6a]2)(H)	N[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]O[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(O[6]C[6]){2|C<4>,2|H<1>,6|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	107.8020	0.000	1	107.8020	0.000	1	107.8020	0.000	1	108.1024	1.596	8	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:3:2:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:N-2:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]C[6]N)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(NC)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]C[6]N)(H){1|H<1>,1|O<1>,4|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(NC){1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6a]N[6]2)	108.1260	0.000	1	108.1260	0.000	1	108.1260	0.000	1	108.1024	1.596	8	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:3:2:	4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:O[6]-2:	C[6]-4:	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6]){3|H<1>,7|C<3>}	H(C[6]C[6a]C[6]N[6])	106.5100	0.000	1	106.6795	0.057	2	106.6795	0.057	2	108.1024	1.596	8	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:3:2:	4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:O[6]-2:	C[6]-4:	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6]){4|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	106.8490	0.000	1	106.6795	0.057	2	106.6795	0.057	2	108.1024	1.596	8	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:3:2:	4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(N[6]C[6]O)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(OC)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(N[6]C[6]O)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(OC){1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6a]N[6]2)	107.8300	0.000	1	107.8300	0.000	1	107.8300	0.000	1	108.1024	1.596	8	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:3:2:	4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:O[6]-2:	C[6]-4:	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(N[6]C[6]O)(H)	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(N[6]C[6]O)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6]){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]N[6]2)	107.8060	0.000	1	107.8060	0.000	1	109.2340	1.529	3	108.1024	1.596	8	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:3:2:	4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:O[6]-2:	C[6]-4:	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(N[6]C[6]S)(H)	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(N[6]C[6]S)(H){2|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6]){1|S<4>,2|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6a]N[6]2)	109.9480	0.000	2	109.9480	0.000	2	109.2340	1.529	3	108.1024	1.596	8	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:3:3:	4:	C[5]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:	C[6](C[5]C[5]N[5])(N[6]C[6,6a]H)(N[6]C[6]N)(H)	N[6](C[6]C[5]N[6]H)(C[6]C[6,6a]O)(NFeC)	H(C[6]C[5]N[6]2)	C[6](C[5]C[5]N[5])(N[6]C[6,6a]H)(N[6]C[6]N)(H){1|Fe<6>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[6](C[6]C[5]N[6]H)(C[6]C[6,6a]O)(NFeC){1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[5]N[6]2)	108.1690	0.000	1	108.1690	0.000	1	108.1690	0.000	1	107.2893	0.619	3	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:S-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)(SCO)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)(SCO){2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	106.8495	0.279	2	106.8495	0.078	2	106.8495	0.078	2	107.2893	0.619	3	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:3:4:	4:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a,6a]C[5a])(N[6]C[6a]C[6])(H)	N[6](C[6]C[6,6a]C[5a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]C[5a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a,6a]C[5a])(N[6]C[6a]C[6])(H){1|C<4>,1|N<2>,3|H<1>,7|C<3>}	N[6](C[6]C[6,6a]C[5a]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,4|H<1>,5|C<3>}	H(C[6]C[6,6a]C[5a]N[6])	107.7845	0.452	2	107.7845	0.204	2	107.7845	0.204	2	107.5335	0.691	32	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:3:4:	4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCC)(H)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCC)(H){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	H(C[6]C[6,6a]N[6]C)	106.6850	0.000	1	106.6850	0.000	1	107.2300	0.594	2	107.5335	0.691	32	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:3:4:	4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CNO)(H)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CNO)(H){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	H(C[6]C[6,6a]N[6]C)	107.7750	0.000	1	107.7750	0.000	1	107.2300	0.594	2	107.5335	0.691	32	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:3:4:	4:	C[6,6a]-3:N[6]-3:C[5]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[5]C[5]2)(H)	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]C[5]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[5]C[5]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	H(C[6]C[6,6a]C[5]N[6])	107.0830	0.000	1	107.0830	0.000	1	107.0830	0.000	1	107.5335	0.691	32	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:3:4:	4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,4|H<1>,6|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|F<1>,3|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.7925	0.499	6	107.4713	0.727	18	107.4713	0.727	18	107.5335	0.691	32	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:3:4:	4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,4|H<1>,6|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|F<1>,2|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.8220	0.165	2	107.4713	0.727	18	107.4713	0.727	18	107.5335	0.691	32	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:3:4:	4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	108.8340	0.000	1	107.4713	0.727	18	107.4713	0.727	18	107.5335	0.691	32	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:3:4:	4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|O<2>,3|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	108.9820	0.000	1	107.4713	0.727	18	107.4713	0.727	18	107.5335	0.691	32	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:3:4:	4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,2|F<1>,3|H<1>,6|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|F<1>,3|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	106.4813	0.687	3	107.4713	0.727	18	107.4713	0.727	18	107.5335	0.691	32	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:3:4:	4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|F<1>,3|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	106.9903	0.091	3	107.4713	0.727	18	107.4713	0.727	18	107.5335	0.691	32	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:3:4:	4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	106.9265	0.947	2	107.4713	0.727	18	107.4713	0.727	18	107.5335	0.691	32	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:3:4:	4:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NC[6a]N)(H)	N[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]N[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NC[6a]N)(H){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]N)	105.2250	0.000	1	105.2250	0.000	1	105.2250	0.000	1	107.5335	0.691	32	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:3:4:	4:	C[6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(SC[6a]OO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]S)(H){3|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(SC[6a]OO){1|N<2>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.4810	0.000	1	108.4810	0.000	1	108.4810	0.000	1	107.5335	0.691	32	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:3:4:	4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H)	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H){4|H<1>,8|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|H<1>,7|C<3>}	H(C[6]C[6a]N[6]2)	107.9671	0.157	7	107.9671	0.025	7	107.9671	0.025	7	107.5335	0.691	32	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:1:	4:	C[5,6]-3:N[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]N[5])(N[6]C[6,6]H)(C[6]C[6]2)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]C[6]H)(H)	H(C[6]C[5,6]C[6]N[6])	C[6](C[5,6]N[5,6]N[5])(N[6]C[6,6]H)(C[6]C[6]2)(H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]C[6]H)(H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]N[6])	105.2180	1.500	2	105.2180	2.251	2	105.2180	2.251	2	107.7106	2.558	50	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:1:	4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(H)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	110.2730	0.000	1	108.6780	5.088	2	108.9910	1.592	6	107.7106	2.558	50	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:1:	4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(H)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,4|H<1>,5|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	107.0830	0.000	1	108.6780	5.088	2	108.9910	1.592	6	107.7106	2.558	50	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:1:	4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	108.9610	0.000	1	108.6937	0.054	3	108.9910	1.592	6	107.7106	2.558	50	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:1:	4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,4|C<3>,5|H<1>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H){1|N<3>,5|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	108.5600	0.000	2	108.6937	0.054	3	108.9910	1.592	6	107.7106	2.558	50	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:1:	4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(H)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	110.5090	0.000	1	110.5090	0.000	1	108.9910	1.592	6	107.7106	2.558	50	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:1:	4:	C[5a]-3:N[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6]H)(C[6]N[6]O)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]C[6]H)(H)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6]H)(C[6]N[6]O)(H){2|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|N<3>,3|H<1>}	H(C[6]C[5a]C[6]N[6])	113.0860	0.000	1	113.0860	0.000	1	113.0860	0.000	1	107.7106	2.558	50	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:1:	4:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6]-4:S[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]S[6]H)(H)	N[6](C[6]C[6,6a]C[5a]H)(S[6]O[6]OO)(H)	H(C[6]C[6,6a]C[5a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]S[6]H)(H){1|N<3>,1|O<2>,2|H<1>,2|O<1>,4|C<3>}	N[6](C[6]C[6,6a]C[5a]H)(S[6]O[6]OO)(H){4|C<3>}	H(C[6]C[6,6a]C[5a]N[6])	107.2260	0.000	1	107.2260	0.000	1	107.2260	0.000	1	107.7106	2.558	50	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:1:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[5a]C[6]H)(H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,4|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[5a]C[6]H)(H){1|N<2>,1|S<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	106.0500	0.000	1	106.0500	0.000	1	107.3691	1.366	17	107.7106	2.558	50	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:1:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,4|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(H){2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.7660	1.458	4	107.4868	1.478	6	107.3691	1.366	17	107.7106	2.558	50	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:1:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){2|C<4>,4|C<3>,4|H<1>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(H){2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	106.9285	0.274	2	107.4868	1.478	6	107.3691	1.366	17	107.7106	2.558	50	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:1:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H){2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.4880	0.000	1	108.6010	2.478	2	107.3691	1.366	17	107.7106	2.558	50	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:1:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,4|C<3>,5|H<1>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H){2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	109.7140	0.000	1	108.6010	2.478	2	107.3691	1.366	17	107.7106	2.558	50	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:1:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]S[6]H)(H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|Cl<1>,1|O<1>,2|H<1>,2|S<2>,4|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]S[6]H)(H){6|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	106.3670	0.000	1	106.3670	0.000	1	107.3691	1.366	17	107.7106	2.558	50	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:1:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|N<2>,1|O<2>,3|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H){6|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	105.8420	0.000	1	107.2718	1.199	6	107.3691	1.366	17	107.7106	2.558	50	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:1:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<2>,3|H<1>,6|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H){6|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.5578	0.941	5	107.2718	1.199	6	107.3691	1.366	17	107.7106	2.558	50	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:1:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CH)(H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CH)(H){4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.1040	0.000	1	107.1040	0.000	1	107.3691	1.366	17	107.7106	2.558	50	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:1:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:S[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[6]S[6]H)(H)	N[6](C[6]C[6,6a]C[6a]H)(S[6]O[6]OO)(H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[6]S[6]H)(H){1|H<1>,2|O<1>,2|O<2>,5|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(S[6]O[6]OO)(H){4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	103.7110	0.000	1	103.7110	0.000	1	107.1020	8.992	3	107.7106	2.558	50	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:1:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:S[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(H)	N[6](C[6]C[6,6a]C[6a]H)(S[6]N[6]OO)(H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(H){1|N<3>,1|O<2>,2|H<1>,2|O<1>,4|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(S[6]N[6]OO)(H){1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	109.4040	0.000	1	109.4040	0.000	1	107.1020	8.992	3	107.7106	2.558	50	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:1:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:S[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(H)	N[6](C[6]C[6,6a]C[6a]H)(S[6]O[6]OO)(H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(H){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(S[6]O[6]OO)(H){4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	108.1910	0.000	1	108.1910	0.000	1	107.1020	8.992	3	107.7106	2.558	50	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:1:	4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]H)(COO)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(H)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]H)(COO)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(H){2|C<3>,2|O<2>,3|H<1>}	H(C[6]C[6,6a]N[6]C)	106.8010	0.000	1	106.8010	0.000	1	106.8010	0.000	1	107.7106	2.558	50	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:1:	4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6]-4:S[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CCH)(H)	N[6](C[6]C[6,6a]CH)(S[6]O[6]OO)(H)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CCH)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	N[6](C[6]C[6,6a]CH)(S[6]O[6]OO)(H){2|C<3>}	H(C[6]C[6,6a]N[6]C)	107.9085	0.550	4	107.9085	0.302	4	107.9085	0.302	4	107.7106	2.558	50	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:1:	4:	C[6]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]O[6]O)(N[6]C[6]H)(CCH)(H)	N[6](C[6]C[6a]2C[6])(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]O)(N[6]C[6]H)(CCH)(H){1|C<4>,2|C<3>}	N[6](C[6]C[6a]2C[6])(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6]N[6]C)	107.6015	1.534	2	107.6015	2.352	2	107.6015	2.352	2	107.7106	2.558	50	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:1:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)2(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(H){1|H<1>,1|S<2>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	107.4920	1.979	3	107.4920	3.916	3	107.4920	3.916	3	107.7106	2.558	50	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:1:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(N[6]C[6]C)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6]H)(H)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(N[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6]H)(H){3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6a]N[6]2)	108.0610	0.171	2	108.0610	0.029	2	108.0610	0.029	2	107.7106	2.558	50	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:1:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,2|C<3>,6|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]N[6]2)	107.3880	0.000	1	107.3880	0.000	1	107.1623	1.353	4	107.7106	2.558	50	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:1:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6]H)2(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]2)(N[6]C[6]H)2(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6a]N[6]2)	106.2795	0.281	2	106.2795	0.079	2	107.1623	1.353	4	107.7106	2.558	50	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:1:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(N[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,2|C<3>,5|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,4|C<4>}	H(C[6]C[6a]N[6]2)	108.7020	0.000	1	108.7020	0.000	1	107.1623	1.353	4	107.7106	2.558	50	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:1:	4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[5,6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[5,6,6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6a]N[6]H)(H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[5,6,6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6a]N[6]H)(H){2|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6a]N[6]2)	107.4820	0.000	1	107.4820	0.000	1	107.4820	0.000	1	107.7106	2.558	50	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:1:	4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|N<3>,3|H<1>,4|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(H){1|H<1>,4|C<3>}	H(C[6]C[6a]N[6]2)	108.1320	0.000	1	108.1320	0.000	1	108.1320	0.000	1	107.7106	2.558	50	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:1:	4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:S[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]S[6]H)(H)	N[6](C[6]C[6a]N[6]H)(S[6]C[6,6a]OO)(H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]S[6]H)(H){1|H<1>,1|O<2>,3|C<3>,3|O<1>}	N[6](C[6]C[6a]N[6]H)(S[6]C[6,6a]OO)(H){1|H<1>,4|C<3>}	H(C[6]C[6a]N[6]2)	108.8790	0.297	2	108.8790	0.088	2	108.8790	0.088	2	107.7106	2.558	50	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:2:	4:	C[5,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:S-4:O[6]-2:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(N[6]O[6]S)(H)	N[6](C[6]C[5,6]C[6a]H)(SC[6a]OO)(O[6]C[6])	H(C[6]C[5,6]C[6a]N[6])	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(N[6]O[6]S)(H){2|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[5,6]C[6a]H)(SC[6a]OO)(O[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6a]N[6])	108.2880	0.000	1	108.2880	0.000	1	108.2880	0.000	1	108.5878	1.375	5	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:2:	4:	C[5a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[5a]C[5a]2)(C[6]O[6]O)(N[6]C[6]O)(H)	N[6](C[6]C[5a]C[6]H)(C[6]C[6a]C[6]H)(OH)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]2)(C[6]O[6]O)(N[6]C[6]O)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[6](C[6]C[5a]C[6]H)(C[6]C[6a]C[6]H)(OH){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[5a]C[6]N[6])	107.4090	0.000	1	107.4090	0.000	1	108.0377	0.349	3	108.5878	1.375	5	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:2:	4:	C[5a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[5a]C[5a]N[5a])(C[6]O[6]O)(N[6]C[6]O)(H)	N[6](C[6]C[5a]C[6]H)(C[6]C[6a]C[6]H)(OH)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]N[5a])(C[6]O[6]O)(N[6]C[6]O)(H){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[5a]C[6]H)(C[6]C[6a]C[6]H)(OH){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[5a]C[6]N[6])	108.3520	0.324	2	108.3520	0.105	2	108.0377	0.349	3	108.5878	1.375	5	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:2:	4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CNO)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CNO)(H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OH){2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]C)	110.5380	0.000	1	110.5380	0.000	1	110.5380	0.000	1	108.5878	1.375	5	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:3:	4:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]N)(H)	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6]HH)(NCH)	H(C[6]C[6,6a]C[5a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]N)(H){2|C<3>,2|C<4>,2|N<2>,3|H<1>}	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6]HH)(NCH){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[5a]N[6])	109.5810	0.000	1	109.5810	0.000	1	108.9395	0.823	2	107.5224	1.477	7	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:3:	4:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]O[5a])(N[6]C[6]N)(H)	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6]HH)(NHS)	H(C[6]C[6,6a]C[5a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]O[5a])(N[6]C[6]N)(H){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6]HH)(NHS){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[5a]N[6])	108.2980	0.000	1	108.2980	0.000	1	108.9395	0.823	2	107.5224	1.477	7	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]N)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(NHS)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]N)(H){1|O<2>,4|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(NHS){6|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	106.8250	0.000	1	106.8250	0.000	1	106.8250	0.000	1	107.5224	1.477	7	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:3:	4:	C[6,6a]-3:N[5a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]C[5a])(N[6]C[6]N)(H)	N[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]HH)(NHS)	H(C[6]C[6,6a]N[5a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]C[5a])(N[6]C[6]N)(H){1|C<4>,4|H<1>,5|C<3>}	N[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]HH)(NHS){2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[5a]N[6])	106.7950	0.000	1	106.7950	0.000	1	106.7950	0.000	1	107.5224	1.477	7	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:3:	4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CNO)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CNO)(H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO){1|H<1>,3|C<3>}	H(C[6]C[6,6a]N[6]C)	108.2060	0.000	1	108.2060	0.000	1	108.2060	0.000	1	107.5224	1.477	7	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:3:	4:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(NCN)(H)	N[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(NCC)	H(C[6]C[6,6a]N[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(NCN)(H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(NCC){2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]N)	106.0560	0.000	1	106.0560	0.000	1	106.4760	0.353	2	107.5224	1.477	7	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:3:	4:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(NC[6a]S)(H)	N[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(NCC)	H(C[6]C[6,6a]N[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(NC[6a]S)(H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(NCC){2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]N)	106.8960	0.000	1	106.8960	0.000	1	106.4760	0.353	2	107.5224	1.477	7	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|H<1>,5|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CC[6a]HH){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	107.0350	0.115	2	107.0350	0.013	2	107.8970	2.236	3	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|C<3>,5|H<1>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(CC[6a]HH){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	109.6210	0.000	1	109.6210	0.000	1	107.8970	2.236	3	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(SC[3]OO)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H){3|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(SC[3]OO){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	108.5520	0.000	1	108.5520	0.000	1	107.6580	0.661	9	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(SCOO)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,4|C<3>,5|H<1>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(SCOO){1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	108.0070	0.000	1	108.0070	0.000	1	107.6580	0.661	9	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,4|C<3>,5|H<1>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	107.2130	0.000	1	108.2050	1.968	2	107.6580	0.661	9	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H){2|C<4>,4|C<3>,4|H<1>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	109.1970	0.000	1	108.2050	1.968	2	107.6580	0.661	9	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6]S)(H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(SC[6a]OO){2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	107.6205	0.217	2	107.6205	0.047	2	107.6580	0.661	9	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H){3|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	106.9150	0.000	1	106.9150	0.000	1	107.6580	0.661	9	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)(SC[6a]OO)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H){2|C<4>,3|H<1>,5|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)(SC[6a]OO){1|N<3>,2|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	106.8985	0.206	2	106.8985	0.042	2	107.6580	0.661	9	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[5a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5a]C[5a]N[5a])(N[6]C[6]C)2(H)	N[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(CC[5a]HH)	H(C[6]C[5a]N[6]2)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]C)2(H){1|C<4>,2|C<3>,6|H<1>}	N[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(CC[5a]HH){1|C<3>,1|N<3>,4|C<4>}	H(C[6]C[5a]N[6]2)	109.8140	0.000	1	109.8140	0.000	1	109.5557	0.050	3	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[5a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5a]C[5a]S[5a])(N[6]C[6]C)2(H)	N[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(CC[5a]HH)	H(C[6]C[5a]N[6]2)	C[6](C[5a]C[5a]S[5a])(N[6]C[6]C)2(H){1|C<4>,2|C<3>,5|H<1>}	N[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(CC[5a]HH){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[5a]N[6]2)	109.4265	0.009	2	109.4265	0.000	2	109.5557	0.050	3	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(CC[6a]HH){2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	108.0817	0.676	3	107.4758	0.977	5	107.4165	0.760	11	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<4>,4|C<3>,4|H<1>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(CC[6a]HH){2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	106.5670	0.489	2	107.4758	0.977	5	107.4165	0.760	11	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(CCHH)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(CCHH){2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	108.3705	0.286	2	108.3705	0.082	2	107.4165	0.760	11	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]S[6]H)(CC[6a]HH)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<1>,2|S<2>,3|H<1>,4|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]S[6]H)(CC[6a]HH){6|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	106.2550	0.000	1	106.2550	0.000	1	107.4165	0.760	11	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(CCHH)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<2>,3|H<1>,6|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(CCHH){6|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.0460	0.000	1	107.0460	0.000	1	107.4165	0.760	11	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(CC[6a]HH)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<2>,3|H<1>,6|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(CC[6a]HH){6|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.2490	0.000	1	107.2490	0.000	1	107.4165	0.760	11	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CH)(CCHH)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CH)(CCHH){4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	106.9110	0.000	1	106.9110	0.000	1	107.4165	0.760	11	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,4|C<3>,5|H<1>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO){1|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.2910	0.129	2	107.2910	0.017	2	107.2910	0.017	2	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:P[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H)	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]CO)(CC[6a]CH)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>,5|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]CO)(CC[6a]CH){4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	106.1090	0.000	1	107.1158	0.437	5	107.1158	0.437	5	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:P[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H)	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]CO)(CC[6a]CH)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]CO)(CC[6a]CH){4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.3675	0.400	4	107.1158	0.437	5	107.1158	0.437	5	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6,6a]-3:N[5a]-3:N[6]-3:H-1:	C[6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(N[6]C[5]C[6])(H)	N[6](C[6]C[6,6a]N[5a]H)(C[5]C[5,6a]2H)(C[6]C[6]HH)	H(C[6]C[6,6a]N[5a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(N[6]C[5]C[6])(H){2|C<4>,2|N<2>,4|C<3>,4|H<1>}	N[6](C[6]C[6,6a]N[5a]H)(C[5]C[5,6a]2H)(C[6]C[6]HH){1|N<2>,2|H<1>,7|C<3>}	H(C[6]C[6,6a]N[5a]N[6])	109.0190	0.000	1	109.0190	0.000	1	109.0190	0.000	1	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CNO)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CNO)(H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]C)	108.3940	0.000	1	108.3940	0.000	1	108.3940	0.000	1	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:C[5a]-3:H-1:	C[6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(C[5a]N[5a]2)(H)	N[6](C[6]C[6,6a]C[5a]H)(C[5]C[5,6a]2H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[5a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(C[5a]N[5a]2)(H){2|C<4>,2|N<2>,4|C<3>,4|H<1>}	N[6](C[6]C[6,6a]C[5a]H)(C[5]C[5,6a]2H)(C[6]C[6]HH){1|N<2>,1|N<3>,2|H<1>,6|C<3>}	H(C[6]C[6,6a]C[5a]N[6])	106.6525	1.348	2	106.6525	1.818	2	106.6525	1.818	2	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(NCS)(H)	N[6](C[6]C[6,6a]HN)(C[6]O[6]CH)(SC[6a]OO)	H(C[6]C[6,6a]N[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(NCS)(H){1|O<2>,2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]HN)(C[6]O[6]CH)(SC[6a]OO){2|C<3>}	H(C[6]C[6,6a]N[6]N)	106.5510	0.000	1	106.5510	0.000	1	106.5510	0.000	1	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)2(N[6]C[6]2)(H)	N[6](C[6]C[6]2H)(C[6]C[6]HH)2	H(C[6]C[6]2N[6])	C[6](C[6]C[6]H)2(N[6]C[6]2)(H){3|C<4>,6|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)2{1|O<2>,2|C<3>,6|H<1>}	H(C[6]C[6]2N[6])	107.2290	0.000	1	107.2290	0.000	1	107.2290	0.000	1	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]C[5])(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(CC[6a]HH)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6a]C[5])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(CC[6a]HH){5|C<3>}	H(C[6]C[6a]C[6]N[6])	106.9310	0.000	1	106.9310	0.000	1	107.6170	0.421	3	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[6a]HH)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6]C)(H){3|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.9600	0.368	2	107.9600	0.135	2	107.6170	0.421	3	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6]-3:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(CCC)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]C)(N[6]C[6]S)(CCC)(H){1|C<3>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|C<3>}	H(C[6]C[6]N[6]C)	104.5765	2.293	2	104.5765	5.259	2	104.5765	5.259	2	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]N)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]N[6]N)(N[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	108.3740	0.000	1	108.3740	0.000	1	107.2466	0.532	13	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]O)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[6a]HH)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]O[6]O)(N[6]C[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[6a]HH){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	108.4390	0.000	1	108.4390	0.000	1	107.2466	0.532	13	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]O)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]O[6]O)(N[6]C[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.9280	0.000	1	107.9280	0.000	1	107.2466	0.532	13	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CH3)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[6](C[6]C[6a]C[6]H)2(CH3){1|H<1>,2|N<2>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.6390	0.000	1	106.9465	0.258	10	107.2466	0.532	13	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CH3)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)2(CH3){1|H<1>,2|N<2>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.1420	0.000	1	106.9465	0.258	10	107.2466	0.532	13	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CH3)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6]H)2(CH3){1|H<1>,2|N<2>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	106.8355	0.493	8	106.9465	0.258	10	107.2466	0.532	13	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H)	N[6](C[6]C[5a]C[6]H)(C[6]C[6a]C[6]H)(SC[6a]OO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N[6](C[6]C[5a]C[6]H)(C[6]C[6a]C[6]H)(SC[6a]OO){1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	105.4390	0.000	1	105.4390	0.000	1	107.1457	0.844	9	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H){1|C<4>,2|C<3>,5|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.2610	0.000	1	108.2115	0.005	2	107.1457	0.844	9	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	108.1620	0.000	1	108.2115	0.005	2	107.1457	0.844	9	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)2(SC[6a]OO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(SC[6a]OO){2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	107.1745	0.687	4	107.1745	0.471	4	107.1457	0.844	9	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6]S)(H){3|C<3>,5|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	106.8450	0.000	1	106.8450	0.000	1	107.1457	0.844	9	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(SC[6a]OO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6]S)(H){1|O<2>,3|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(SC[6a]OO){1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	106.9060	0.000	1	106.9060	0.000	1	107.1457	0.844	9	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:N[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6,6]C)(C[6]C[6]C)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CC[6a]HH)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6]C)(C[6]C[6]C)(H){2|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CC[6a]HH){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	104.7430	0.000	1	104.7430	0.000	1	104.7430	0.000	1	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,2|C<3>,6|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]N[6]2)	107.4690	0.000	1	107.4690	0.000	1	107.8111	1.309	15	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6a]N[6]H)2(CH3)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<2>,1|S<1>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]N[6]H)2(CH3){2|H<1>,5|C<3>}	H(C[6]C[6a]N[6]2)	107.5212	0.252	4	107.5212	0.063	4	107.8111	1.309	15	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]N[6]C)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]N[6]C)(H){3|C<3>,4|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH){1|N<2>,4|C<3>}	H(C[6]C[6a]N[6]2)	107.7170	0.000	1	107.7170	0.000	1	107.8111	1.309	15	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6]C)2(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]2)(N[6]C[6]C)2(H){1|C<4>,2|C<3>,6|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]N[6]2)	109.4430	0.045	2	109.4430	0.002	2	107.8111	1.309	15	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(N[6]C[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,2|C<3>,5|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	H(C[6]C[6a]N[6]2)	108.7380	0.000	1	108.7380	0.000	1	107.8111	1.309	15	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(N[6]C[6]C)2(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]C)2(H){1|C<4>,2|C<3>,5|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6a]N[6]2)	106.4505	0.094	4	106.4505	0.009	4	107.8111	1.309	15	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(N[6]C[6]C)2(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]C)2(H){1|C<4>,2|C<3>,5|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6a]N[6]2)	109.2350	0.008	2	109.2350	0.000	2	107.8111	1.309	15	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6]S)(N[6]O[6]C)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]2)(N[6]C[6]S)(N[6]O[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6a]N[6]2)	109.0460	0.000	1	109.0460	0.000	1	108.2740	0.752	3	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6]S)(N[6]O[6]C)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]2)(N[6]C[6]S)(N[6]O[6]C)(H){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6a]N[6]2)	107.3360	0.000	1	107.3360	0.000	1	108.2740	0.752	3	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]C[6]S)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(SC[6a]OO)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]C[6]S)(H){3|H<1>,4|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(SC[6a]OO){1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6a]N[6]2)	108.4400	0.000	1	108.4400	0.000	1	108.2740	0.752	3	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	N[5,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]N[5,6]C[6a]H)(C[6]C[6]HH)(CCCH)	H(C[6]N[5,6]C[6a]N[6])	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<3>,3|C<4>,6|H<1>}	N[6](C[6]N[5,6]C[6a]H)(C[6]C[6]HH)(CCCH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]N[5,6]C[6a]N[6])	109.5490	0.000	1	109.5490	0.000	1	109.5490	0.000	1	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]2)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(C[6]C[6]2H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]2)(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(C[6]C[6]2H){2|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6a]N[6]2)	106.6790	0.000	1	106.6790	0.000	1	106.6790	0.000	1	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]S)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(SC[6a]OO)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]S)(H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(SC[6a]OO){1|H<1>,4|C<3>}	H(C[6]C[6a]N[6]2)	107.8160	0.000	1	108.0120	0.077	2	108.9520	1.204	4	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]S)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(SC[6a]OO)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]S)(H){2|N<2>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(SC[6a]OO){1|H<1>,4|C<3>}	H(C[6]C[6a]N[6]2)	108.2080	0.000	1	108.0120	0.077	2	108.9520	1.204	4	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(N[6]C[6]S)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(SO3)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(N[6]C[6]S)(H){2|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(SO3){1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6a]N[6]2)	109.8920	0.000	2	109.8920	0.000	2	108.9520	1.204	4	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:4:4:	4:	N[6]-3:N[6]-3:C-3:H-1:	S[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(N[6]S[6]C)(CC[6a]C)(H)	N[6](S[6]C[6,6a]OO)(C[6]N[6]CH)(CH3)	H(C[6]N[6]2C)	C[6](N[6]C[6,6a]S)(N[6]S[6]C)(CC[6a]C)(H){2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]N[6]CH)(CH3){1|S<4>,2|C<3>}	H(C[6]N[6]2C)	107.3740	0.000	1	107.3740	0.000	1	107.3740	0.000	1	107.5455	1.391	92	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:3:1:	4:5:1:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:P[6,6]-5:H-1:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6,6]H)(H)	N[6](C[6]C[6,6a]C[6a]H)(P[6,6]N[6]O[6]2H)(H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6,6]H)(H){1|N<3>,2|O<2>,3|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(P[6,6]N[6]O[6]2H)(H){1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	106.5060	0.000	1	106.5060	0.000	1	106.5060	0.000	1	106.5060	0.000	1	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	3:3:4:	4:	N[6]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]C[6a])(N[6]C[6]H)(CC[6a]CF)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)	H(C[6]N[6]2C)	C[6](N[6]C[6,6a]C[6a])(N[6]C[6]H)(CC[6a]CF)(H){1|O<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH){4|H<1>,5|C<3>}	H(C[6]N[6]2C)	107.2780	0.000	1	107.2780	0.000	1	107.2780	0.000	1	107.2780	0.000	1	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	C[5a]-3:N[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6,6a]H)(C[6]C[6]CH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(H)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6,6a]H)(C[6]C[6]CH)(H){1|B<3>,1|N<3>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(H){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[5a]C[6]N[6])	107.5630	0.000	1	107.5630	0.000	1	107.5630	0.000	1	108.6495	0.755	28	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6,6]O)(N[6]C[6]H)(CC[6a]HH)(H)	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6,6]O)(N[6]C[6]H)(CC[6a]HH)(H){1|O<1>,2|C<4>}	N[6](C[6]C[6,6]O)(C[6]C[6]CH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]C)	107.2510	0.000	1	107.2510	0.000	1	107.2510	0.000	1	108.6495	0.755	28	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	N[5a,6]-3:N[6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[5]C[5]2Fe)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[5]H)(H)	H(C[6]N[5a,6]C[5]N[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[5]C[5]2Fe)(H){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[5]H)(H){1|Fe<10>,1|H<1>,2|C<4>,4|C<3>}	H(C[6]N[5a,6]C[5]N[6])	108.3740	0.000	1	108.3740	0.000	1	108.3740	0.000	1	108.6495	0.755	28	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	N[6]-3:C[6]-3:C-4:H-1:	N[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]N[5,6]H)(C[6]C[6]H)(CH3)(H)	N[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]N[5,6]H)(C[6]C[6]H)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]C)	107.6460	0.000	1	107.6460	0.000	1	107.6460	0.000	1	108.6495	0.755	28	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,3|H<1>,4|C<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(H){1|H<1>,2|C<4>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.3190	0.000	1	107.3190	0.000	1	108.6175	3.372	2	108.6495	0.755	28	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[5a,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	H(C[6]C[6a]C[6]N[6])	109.9160	0.000	1	109.9160	0.000	1	108.6175	3.372	2	108.6495	0.755	28	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	109.0330	0.000	1	109.0330	0.000	1	108.8235	0.578	22	108.6495	0.755	28	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Br<1>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	109.3790	0.122	2	109.0003	0.452	18	108.8235	0.578	22	108.6495	0.755	28	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.6570	0.000	1	109.0003	0.452	18	108.8235	0.578	22	108.6495	0.755	28	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	109.2830	0.000	1	109.0003	0.452	18	108.8235	0.578	22	108.6495	0.755	28	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.8670	0.000	1	109.0003	0.452	18	108.8235	0.578	22	108.6495	0.755	28	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.4443	0.436	3	109.0003	0.452	18	108.8235	0.578	22	108.6495	0.755	28	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	108.7090	0.092	3	109.0003	0.452	18	108.8235	0.578	22	108.6495	0.755	28	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	110.5520	0.000	1	109.0003	0.452	18	108.8235	0.578	22	108.6495	0.755	28	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|S<4>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	110.1960	0.000	1	109.0003	0.452	18	108.8235	0.578	22	108.6495	0.755	28	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	109.0464	0.346	5	109.0003	0.452	18	108.8235	0.578	22	108.6495	0.755	28	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HS)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HS)(H){4|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.7760	0.000	1	107.7760	0.000	1	108.8235	0.578	22	108.6495	0.755	28	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	3:4:1:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.6515	0.001	2	107.6515	0.000	2	108.8235	0.578	22	108.6495	0.755	28	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	3:4:2:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](C[6]C[6a]C[6])(N[6]C[6a]O[6])(CH3)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]C[6])(N[6]C[6a]O[6])(CH3)(H){1|C<4>,1|H<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6]){3|H<1>,5|C<3>}	H(C[6]C[6]N[6]C)	107.5550	0.000	1	107.5550	0.000	1	107.5550	0.000	1	107.9958	0.988	5	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	3:4:2:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6]-4:	C[6](N[6]C[6a]N[6])(C[6]O[6]C)(CC[6a]HH)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6])	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]N[6])(C[6]O[6]C)(CC[6a]HH)(H){3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]C)	108.9310	0.000	1	108.9395	0.000	2	108.6113	0.323	3	107.9958	0.988	5	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	3:4:2:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6]-4:	C[6](N[6]C[6a]N[6])(C[6]O[6]C)(CC[6a]HH)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6])	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]N[6])(C[6]O[6]C)(CC[6a]HH)(H){3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]){1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6]N[6]C)	108.9480	0.000	1	108.9395	0.000	2	108.6113	0.323	3	107.9958	0.988	5	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	3:4:2:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6]-4:	C[6](N[6]C[6a]N[6])(C[6]O[6]O)(CC[6a]HH)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6])	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]N[6])(C[6]O[6]O)(CC[6a]HH)(H){3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]C)	107.9550	0.000	1	107.9550	0.000	1	108.6113	0.323	3	107.9958	0.988	5	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	3:4:2:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](N[6]C[6a]O[6])(C[6]C[6]C)(CCHH)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]O[6])(C[6]C[6]C)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]N[6]C)	106.5900	0.000	1	106.5900	0.000	1	106.5900	0.000	1	107.9958	0.988	5	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6]-3:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(CCHH)(H)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(COO)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(COO){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]N[6]C)	106.9230	0.000	1	106.9230	0.000	1	106.9230	0.000	1	106.9230	0.000	1	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	3:4:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(CC[6a]CH)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]CH)(CH3)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(CC[6a]CH)(H){1|O<2>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]CH)(CH3){5|C<3>}	H(C[6]C[6,6a]N[6]C)	109.4880	0.000	1	109.4880	0.000	1	108.6045	1.561	2	107.8359	2.131	26	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	3:4:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CCHH)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]CH)(CH3)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CCHH)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]CH)(CH3){5|C<3>}	H(C[6]C[6,6a]N[6]C)	107.7210	0.000	1	107.7210	0.000	1	108.6045	1.561	2	107.8359	2.131	26	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	3:4:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(CH3)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(SC[6a]OO)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(CH3)(H){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(SC[6a]OO){1|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]C)	108.2110	0.000	1	108.2110	0.000	1	108.2110	0.000	1	107.8359	2.131	26	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	3:4:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CH3)(H)	N[6](C[6]N[6,6]O)(C[6]C[6]CH)(CC[6a]HH)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CH3)(H){1|C<4>,1|N<3>,1|O<1>}	N[6](C[6]N[6,6]O)(C[6]C[6]CH)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]C)	107.7593	0.200	4	107.7593	0.040	4	107.7593	0.040	4	107.8359	2.131	26	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	3:4:4:	4:	C[6]-3:N[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:P-4:	C[6]-4:	C[6](C[6]C[6]N[6])(N[6]C[6,6a]P)(C[6]C[6]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(PC[6a]2Ir)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]N[6])(N[6]C[6,6a]P)(C[6]C[6]HH)(H){1|Ir<6>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(PC[6a]2Ir){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2N[6])	104.9860	0.000	1	104.9860	0.000	1	104.9860	0.000	1	107.8359	2.131	26	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	3:4:4:	4:	N[6]-3:B[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(B[6]N[6]N)(CC[6a]HH)(H)	N[6](C[6a]C[6a]2)(C[6]B[6]CH)(C[6]C[6]HH)	H(C[6]B[6]N[6]C)	C[6](N[6]C[6a]C[6])(B[6]N[6]N)(CC[6a]HH)(H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]B[6]CH)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	H(C[6]B[6]N[6]C)	108.0745	0.412	2	108.0745	0.170	2	109.2817	4.457	3	107.8359	2.131	26	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	3:4:4:	4:	N[6]-3:B[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(B[6]N[6]S)(CC[6a]HH)(H)	N[6](C[6a]C[6a]2)(C[6]B[6]CH)(C[6]C[6]HH)	H(C[6]B[6]N[6]C)	C[6](N[6]C[6a]C[6])(B[6]N[6]S)(CC[6a]HH)(H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]B[6]CH)(C[6]C[6]HH){1|N<3>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]B[6]N[6]C)	111.6960	0.000	1	111.6960	0.000	1	109.2817	4.457	3	107.8359	2.131	26	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	3:4:4:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(CH3)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(CH3)(H){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3){1|H<1>,4|C<3>}	H(C[6]C[6]N[6]C)	106.8440	2.756	2	106.8440	7.597	2	107.4320	4.836	3	107.8359	2.131	26	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	3:4:4:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(CCHS)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(CCHS)(H){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]N[6]C)	108.6080	0.000	1	108.6080	0.000	1	107.4320	4.836	3	107.8359	2.131	26	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	3:4:4:	4:	N[6]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(CH3)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(CH3)(H){3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]C)	108.1837	0.294	3	108.1837	0.087	3	108.1837	0.087	3	107.8359	2.131	26	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	3:4:4:	4:	N[6]-3:C[6]-3:P-4:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]O[6]O)(PO3)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(CC[6a]HH)	H(C[6]C[6]N[6]P)	C[6](N[6]C[6,6a]C)(C[6]O[6]O)(PO3)(H){2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(CC[6a]HH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6]N[6]P)	107.0210	0.000	1	107.0210	0.000	1	107.0210	0.000	1	107.8359	2.131	26	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	3:4:4:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.3400	0.000	1	108.3400	0.000	1	107.3915	1.799	2	107.8359	2.131	26	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	3:4:4:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	106.4430	0.000	1	106.4430	0.000	1	107.3915	1.799	2	107.8359	2.131	26	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	3:4:4:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]CC)(H){3|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<2>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	109.4460	0.000	1	109.4460	0.000	1	107.3725	8.599	2	107.8359	2.131	26	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	3:4:4:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]CF)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]CF)(H){1|O<2>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO){1|C<4>,1|F<1>,1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	105.2990	0.000	1	105.2990	0.000	1	107.3725	8.599	2	107.8359	2.131	26	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	3:4:4:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|N<2>,2|C<4>,3|C<3>,5|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH){1|N<4>,4|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	108.8510	0.000	1	107.7622	1.444	4	107.7622	1.444	4	107.8359	2.131	26	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	3:4:4:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|N<2>,3|C<3>,3|C<4>,3|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.0190	0.000	1	107.7622	1.444	4	107.7622	1.444	4	107.8359	2.131	26	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	3:4:4:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|N<2>,3|C<3>,3|C<4>,4|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,1|N<4>,4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.5895	1.592	2	107.7622	1.444	4	107.7622	1.444	4	107.8359	2.131	26	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:2:3:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:O[6]-2:C-3:	C[6]-4:	C[6](C[6]C[6]H)(N[6]O[6]C)(CCHH)(H)	N[6](C[6]C[6]CH)(O[6]C[6])(COO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]O[6]C)(CCHH)(H){1|Br<1>,1|C<4>}	N[6](C[6]C[6]CH)(O[6]C[6])(COO){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]C)	108.4100	0.000	1	108.4100	0.000	1	108.4100	0.000	1	108.4100	0.000	1	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:2:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-2:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]C)(CC[6a]HH)(H)	N[6](C[6]C[6,6a]CH)(N[6]C[6])(CH3)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]C)(CC[6a]HH)(H){1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]CH)(N[6]C[6])(CH3){1|H<1>,2|C<3>}	H(C[6]C[6,6a]N[6]C)	108.4090	0.000	1	108.4090	0.000	1	108.4090	0.000	1	108.4090	0.000	1	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]C)	108.5380	0.000	1	108.5380	0.000	1	108.6697	0.262	3	108.5086	0.208	5	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]O[6]O)(N[6]C[6]H)(CC[6a]HH)(H)	N[6](C[6]C[6]CH)(C[6]N[6]O)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]O)(N[6]C[6]H)(CC[6a]HH)(H){1|N<3>,1|O<1>}	N[6](C[6]C[6]CH)(C[6]N[6]O)(H){1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[6]N[6]C)	108.7355	0.705	2	108.7355	0.497	2	108.6697	0.262	3	108.5086	0.208	5	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:3:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]H)(N[6]N[6]H)(CCHH)(H)	N[6](C[6]C[6]CH)(N[6]C[6]C)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]N[6]H)(CCHH)(H){1|C<3>,2|C<4>}	N[6](C[6]C[6]CH)(N[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	108.0290	0.000	1	108.0290	0.000	1	108.0290	0.000	1	108.5086	0.208	5	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:3:1:	4:	N[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](N[6]C[6]C)(N[6]C[6]H)(CCCH)(H)	N[6](C[6]N[6]CH)(C[6]C[6]O)(H)	H(C[6]N[6]2C)	C[6](N[6]C[6]C)(N[6]C[6]H)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]N[6]CH)(C[6]C[6]O)(H){3|C<3>}	H(C[6]N[6]2C)	108.5050	0.000	1	108.5050	0.000	1	108.5050	0.000	1	108.5086	0.208	5	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:3:2:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]O)(CCCH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]O)(CCCH)(H){1|C<4>,1|O<1>,1|O<2>}	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]C)	107.5010	0.000	1	107.5010	0.000	1	107.5010	0.000	1	106.8696	2.777	5	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:3:2:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:O[6]-2:	C[6]-4:	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|C<4>,4|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,3|H<1>,7|C<3>}	H(C[6]C[6a]C[6]N[6])	105.8380	0.000	1	105.8380	0.000	1	105.7740	0.028	3	106.8696	2.777	5	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:3:2:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:O[6]-2:	C[6]-4:	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|C<4>,4|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	105.7420	0.223	2	105.7420	0.050	2	105.7740	0.028	3	106.8696	2.777	5	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:3:2:	4:	N[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:	C[6](N[6]C[5,6]H)(N[6]C[6]O)(CF3)(H)	N[6](C[6]N[6]CH)(C[6]N[6]O)(OC)	H(C[6]N[6]2C)	C[6](N[6]C[5,6]H)(N[6]C[6]O)(CF3)(H){1|N<3>,1|O<1>,2|C<3>}	N[6](C[6]N[6]CH)(C[6]N[6]O)(OC){1|C<4>,1|H<1>,1|O<2>}	H(C[6]N[6]2C)	109.5250	0.000	1	109.5250	0.000	1	109.5250	0.000	1	106.8696	2.777	5	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]C[6])(CCl3)(H)	N[6](C[6]C[5a,6]CH)(C[6]C[6a]C[6])(C[6a]C[6a]2)	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]C[6])(CCl3)(H){1|O<2>,6|C<3>}	N[6](C[6]C[5a,6]CH)(C[6]C[6a]C[6])(C[6a]C[6a]2){1|Cl<1>,2|H<1>,6|C<3>}	H(C[6]C[5a,6]N[6]C)	108.4930	0.000	1	108.4930	0.000	1	108.4930	0.000	1	108.4860	0.722	4	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])(C[6a]C[6a]2)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,1|N<2>,5|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])(C[6a]C[6a]2){3|H<1>,6|C<3>}	H(C[6]C[6,6a]N[6]C)	108.7910	0.000	1	108.7910	0.000	1	109.0635	0.149	2	108.4860	0.722	4	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])(C[6a]C[6a]2)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,1|N<2>,5|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	H(C[6]C[6,6a]N[6]C)	109.3360	0.000	1	109.3360	0.000	1	109.0635	0.149	2	108.4860	0.722	4	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[6]-3:P-4:H-1:	C[6]-4:C[6]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(PO3)(H)	N[6](C[6]C[6,6a]HP)(C[6]C[6a]N[6])(C[6a]C[6a]2)	H(C[6]C[6,6a]N[6]P)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(PO3)(H){1|H<1>,1|N<2>,5|C<3>}	N[6](C[6]C[6,6a]HP)(C[6]C[6a]N[6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	H(C[6]C[6,6a]N[6]P)	107.3240	0.000	1	107.3240	0.000	1	107.3240	0.000	1	108.4860	0.722	4	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:3:4:	4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(CCCH)(H)	N[6](C[6]C[5a,6]CH)(C[6]C[6]H)(SC[6a]OO)	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(CCCH)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]H)(SC[6a]OO){1|N<3>,2|C<3>}	H(C[6]C[5a,6]N[6]C)	109.9290	0.000	1	109.9290	0.000	1	109.6345	0.173	2	108.2930	1.105	15	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:3:4:	4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(CCHH)(H)	N[6](C[6]C[5a,6]CH)(C[6]C[6]H)(SC[6a]OO)	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]H)(SC[6a]OO){1|N<3>,2|C<3>}	H(C[6]C[5a,6]N[6]C)	109.3400	0.000	1	109.3400	0.000	1	109.6345	0.173	2	108.2930	1.105	15	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCCH)(H)	N[6](C[6]C[6,6a]CH)(C[6]S[6]C)(SC[6a]OO)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCCH)(H){1|H<1>,1|S<2>,3|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]S[6]C)(SC[6a]OO){2|C<3>}	H(C[6]C[6,6a]N[6]C)	107.1740	0.000	1	107.1740	0.000	1	107.8135	0.818	2	108.2930	1.105	15	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CH3)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(SC[6a]OO)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CH3)(H){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(SC[6a]OO){3|C<3>}	H(C[6]C[6,6a]N[6]C)	108.4530	0.000	1	108.4530	0.000	1	107.8135	0.818	2	108.2930	1.105	15	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[6a]CH)(H)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[6a]CH)(H){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	H(C[6]C[6,6a]N[6]C)	108.0370	0.000	1	108.0370	0.000	1	107.1335	1.633	2	108.2930	1.105	15	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCl3)(H)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCl3)(H){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	H(C[6]C[6,6a]N[6]C)	106.2300	0.000	1	106.2300	0.000	1	107.1335	1.633	2	108.2930	1.105	15	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6,6a]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6]C[6]2H)(H)	N[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6]C[6]2H)(H){1|O<1>,1|S<2>,2|C<4>,4|C<3>,5|H<1>}	N[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|F<1>,4|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]N[6])	107.5370	0.000	1	107.5370	0.000	1	107.5370	0.000	1	108.2930	1.105	15	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:S[6]-3:S-4:	C[6]-4:	C[6](C[6]C[6]H)(N[6]S[6]S)(CH3)(H)	N[6](C[6]C[6]CH)(S[6]C[6]O)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]S[6]S)(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CH)(S[6]C[6]O)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	108.4840	0.000	1	107.7300	1.137	2	107.7300	1.137	2	108.2930	1.105	15	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:3:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:S[6]-3:S-4:	C[6]-4:	C[6](C[6]C[6]H)(N[6]S[6]S)(CH3)(H)	N[6](C[6]C[6]CH)(S[6]C[6]O)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]S[6]S)(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CH)(S[6]C[6]O)(SC[6a]OO){1|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	106.9760	0.000	1	107.7300	1.137	2	107.7300	1.137	2	108.2930	1.105	15	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:3:4:	4:	N[6]-3:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[5a]C[5a]2)(C[6]C[6]HH)(H)	N[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[5a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[5a]C[5a]2)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	N[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|C<4>,4|C<3>,5|H<1>}	H(C[6]C[5a]C[6]N[6])	108.0600	0.000	1	108.0600	0.000	1	108.0600	0.000	1	108.2930	1.105	15	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:3:4:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|S<4>,4|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,4|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.7600	0.000	1	107.7600	0.000	1	107.7600	0.000	1	108.2930	1.105	15	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:3:4:	4:	N[6]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])2(C[6]N[6]2H)(H)	N[6](C[6]C[6]N[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]2)	C[6](N[6]C[6a]C[6])2(C[6]N[6]2H)(H){3|C<4>,4|H<1>,6|C<3>}	N[6](C[6]C[6]N[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|N<3>,3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]2)	108.9560	0.025	2	108.9560	0.001	2	108.9560	0.001	2	108.2930	1.105	15	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:3:4:	4:	N[6]-3:N[6]-3:Si-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])2(SiC[6a]HH)(H)	N[6](C[6]N[6]SiH)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]N[6]2Si)	C[6](N[6]C[6a]C[6])2(SiC[6a]HH)(H){1|C<4>,4|C<3>,4|H<1>}	N[6](C[6]N[6]SiH)(C[6a]C[6a]2)(C[6]C[6]HH){2|H<1>,3|C<3>,3|C<4>}	H(C[6]N[6]2Si)	109.2515	0.834	2	109.2515	0.695	2	109.2515	0.695	2	108.2930	1.105	15	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:1:	4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CCl3)(H)	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(H)	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CCl3)(H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5a,6]N[6]C)	108.8130	0.000	1	108.8130	0.000	1	108.1335	0.923	2	107.7550	4.728	22	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:1:	4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CH3)(H)	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(H)	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5a,6]N[6]C)	107.4540	0.000	1	107.4540	0.000	1	108.1335	0.923	2	107.7550	4.728	22	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:1:	4:	C[6,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]H)(CH3)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CH)(H)	H(C[6]C[6,6]N[6]C)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CH)(H){1|C<2>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6]N[6]C)	110.1370	0.000	1	110.1370	0.000	1	110.1370	0.000	1	107.7550	4.728	22	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CH3)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]CH)(H)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]CH)(H){1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6,6a]N[6]C)	107.5870	0.000	1	107.5870	0.000	1	109.7493	9.920	3	107.7550	4.728	22	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CHHO)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]C)	110.8305	3.581	2	110.8305	12.827	2	109.7493	9.920	3	107.7550	4.728	22	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:S[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CCHH)(H)	N[6](C[6]C[6,6a]CH)(S[6]O[6]OO)(H)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CCHH)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	N[6](C[6]C[6,6a]CH)(S[6]O[6]OO)(H){2|C<3>}	H(C[6]C[6,6a]N[6]C)	107.1720	0.000	1	107.1720	0.000	1	103.9360	20.943	2	107.7550	4.728	22	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:1:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:S[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CHHO)(H)	N[6](C[6]C[6,6a]CH)(S[6]O[6]OO)(H)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CHHO)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	N[6](C[6]C[6,6a]CH)(S[6]O[6]OO)(H){2|C<3>}	H(C[6]C[6,6a]N[6]C)	100.7000	0.000	1	100.7000	0.000	1	103.9360	20.943	2	107.7550	4.728	22	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[6a]HH)(H)	N[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[6a]HH)(H){2|C<4>,2|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>}	H(C[6]C[6]N[6]C)	106.8620	0.000	1	106.8620	0.000	1	107.6009	0.782	8	107.7550	4.728	22	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]C)	106.7500	0.000	1	107.2135	0.430	2	107.6009	0.782	8	107.7550	4.728	22	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCHH)(H){2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]C)	107.6770	0.000	1	107.2135	0.430	2	107.6009	0.782	8	107.7550	4.728	22	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]O[6]O)(N[6]C[6]H)(CCHH)(H)	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]O)(N[6]C[6]H)(CCHH)(H){1|C<4>,2|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]N[6]C)	106.1910	0.000	1	106.1910	0.000	1	107.6009	0.782	8	107.7550	4.728	22	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]O[6]O)(N[6]C[6]H)(CCHH)(H)	N[6](C[6]C[6]CC)(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]O)(N[6]C[6]H)(CCHH)(H){1|C<3>,2|C<4>}	N[6](C[6]C[6]CC)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]C)	108.3750	0.000	1	108.3750	0.000	1	107.6009	0.782	8	107.7550	4.728	22	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]O[6]O)(N[6]C[6]H)(CCHH)(H)	N[6](C[6]C[6a]2C[6])(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]O)(N[6]C[6]H)(CCHH)(H){1|C<4>,2|C<3>}	N[6](C[6]C[6a]2C[6])(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6]N[6]C)	108.1660	0.000	1	108.1660	0.000	1	107.6009	0.782	8	107.7550	4.728	22	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:1:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]O[6]O)(N[6]C[6]H)(CC[6a]HH)(H)	N[6](C[6]C[6]CC)(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]O)(N[6]C[6]H)(CC[6a]HH)(H){1|C<4>,2|C<3>}	N[6](C[6]C[6]CC)(C[6]C[6]CH)(H){1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]N[6]C)	108.3930	0.187	2	108.3930	0.035	2	107.6009	0.782	8	107.7550	4.728	22	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:1:	4:	C[6a]-3:N[6]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[5,6]H)(C[6]C[6]CH)(H)	N[6](C[5,6]C[5]2C[6])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(N[6]C[5,6]H)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[6](C[5,6]C[5]2C[6])(C[6]C[6a]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	106.9020	0.000	1	106.9020	0.000	1	106.9020	0.000	1	107.7550	4.728	22	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:1:	4:	C[6a]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:C[6,6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(C[6]C[6]HH)(H)	N[6](C[6]C[6a]C[6]H)(C[6,6]C[6]3)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	N[6](C[6]C[6a]C[6]H)(C[6,6]C[6]3)(H){2|C<4>,4|C<3>,7|H<1>}	H(C[6]C[6a]C[6]N[6])	107.6945	0.220	2	107.6945	0.048	2	107.6945	0.048	2	107.7550	4.728	22	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:1:	4:	N[6]-3:N[6]-3:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[5,6]H)(N[6]C[6]O)(CF3)(H)	N[6](C[5,6]C[5,6a]C[5]N[6])(C[6]N[6]CH)(H)	H(C[6]N[6]2C)	C[6](N[6]C[5,6]H)(N[6]C[6]O)(CF3)(H){1|N<3>,1|O<1>,2|C<3>}	N[6](C[5,6]C[5,6a]C[5]N[6])(C[6]N[6]CH)(H){1|N<3>,1|O<1>,2|O<2>,3|C<3>}	H(C[6]N[6]2C)	109.4760	0.000	1	109.4760	0.000	1	109.4760	0.000	1	107.7550	4.728	22	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:1:	4:	N[6]-3:N[6]-3:C-4:H-1:	S[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(N[6]S[6]H)(CC[6a]HH)(H)	N[6](S[6]C[6,6a]OO)(C[6]N[6]CH)(H)	H(C[6]N[6]2C)	C[6](N[6]C[6,6a]H)(N[6]S[6]H)(CC[6a]HH)(H){2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]N[6]CH)(H){1|H<1>,2|C<3>}	H(C[6]N[6]2C)	106.7040	0.000	1	106.7040	0.000	1	107.2555	0.608	2	107.7550	4.728	22	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:1:	4:	N[6]-3:N[6]-3:C-4:H-1:	S[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(N[6]S[6]H)(CCl2H)(H)	N[6](S[6]C[6,6a]OO)(C[6]N[6]CH)(H)	H(C[6]N[6]2C)	C[6](N[6]C[6,6a]H)(N[6]S[6]H)(CCl2H)(H){2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]N[6]CH)(H){1|H<1>,2|C<3>}	H(C[6]N[6]2C)	107.8070	0.000	1	107.8070	0.000	1	107.2555	0.608	2	107.7550	4.728	22	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:2:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:S-4:N[6]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]S)(CCHH)(H)	N[6](C[6]C[6,6a]CH)(SC[6a]OO)(N[6]C[6])	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]S)(CCHH)(H){1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]CH)(SC[6a]OO)(N[6]C[6]){3|C<3>}	H(C[6]C[6,6a]N[6]C)	110.2700	0.000	1	110.2700	0.000	1	110.2700	0.000	1	108.4060	4.965	3	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:2:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C-4:O[6]-2:	C[6]-4:	C[6](C[6]C[6]O)(N[6]O[6]C)(CC[5]HO)(H)	N[6](C[6]C[6]CH)(CC[6a]HH)(O[6]C[6])	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]O)(N[6]O[6]C)(CC[5]HO)(H){1|C<4>,1|H<1>}	N[6](C[6]C[6]CH)(CC[6a]HH)(O[6]C[6]){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]C)	105.9380	0.000	1	105.9380	0.000	1	105.9380	0.000	1	108.4060	4.965	3	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:2:	4:	C[6a]-3:N[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6,6]O)(C[6]C[6]HH)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(OH)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6]O)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(OH){2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	109.0100	0.000	1	109.0100	0.000	1	109.0100	0.000	1	108.4060	4.965	3	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:3:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CCHN)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(NCH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CCHN)(H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(NCH){2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]C)	108.2230	0.000	1	108.2230	0.000	1	108.2230	0.000	1	108.2623	0.003	3	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:3:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CC[6a]HH)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(SC[6a]O)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(SC[6a]O){2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]C)	108.2450	0.000	1	108.2450	0.000	1	108.2450	0.000	1	108.2623	0.003	3	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:3:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]N)(CC3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]C[6]N)(CC3)(H){1|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH){1|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	108.3190	0.000	1	108.3190	0.000	1	108.3190	0.000	1	108.2623	0.003	3	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:4:	4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H)	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(CC[6a]HH)	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(CC[6a]HH){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5a,6]N[6]C)	107.9070	0.000	1	107.7925	0.026	2	107.7832	0.199	4	107.4051	1.706	57	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:4:	4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H)	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(CC[6a]HH)	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(CC[6a]HH){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5a,6]N[6]C)	107.6780	0.000	1	107.7925	0.026	2	107.7832	0.199	4	107.4051	1.706	57	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:4:	4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H)	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CCHH)	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CCHH){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5a,6]N[6]C)	108.3080	0.000	1	108.3080	0.000	1	107.7832	0.199	4	107.4051	1.706	57	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:4:	4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H)	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[5a,6]N[6]C)	107.2400	0.000	1	107.2400	0.000	1	107.7832	0.199	4	107.4051	1.706	57	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:4:	4:	C[5a,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(CCHH)(H)	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[5a,6]N[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[5a,6]N[6]C)	107.7860	0.000	1	107.7860	0.000	1	107.7860	0.000	1	107.4051	1.706	57	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6,6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(CC[6a]HH)(H)	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]N[6]C)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>}	H(C[6]C[6,6]N[6]C)	110.3200	0.000	1	110.3200	0.000	1	110.3200	0.000	1	107.4051	1.706	57	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]C)(CCHH)(H)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]CH)(CH3)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]C)(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]CH)(CH3){2|C<4>,4|C<3>}	H(C[6]C[6,6a]N[6]C)	106.5350	0.000	1	106.5350	0.000	1	106.5350	0.000	1	107.4051	1.706	57	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCCH)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCCH)(H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]C)	107.0120	0.000	1	107.0120	0.000	1	107.2755	0.123	11	107.4051	1.706	57	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[5a]HH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[5a]HH){2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]C)	106.9170	0.000	1	106.9170	0.000	1	107.2755	0.123	11	107.4051	1.706	57	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]CH){2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]C)	107.2790	0.163	2	107.2790	0.026	2	107.2755	0.123	11	107.4051	1.706	57	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]C)	107.6705	0.114	2	107.5500	0.086	5	107.2755	0.123	11	107.4051	1.706	57	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]C)	107.4697	0.375	3	107.5500	0.086	5	107.2755	0.123	11	107.4051	1.706	57	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]C)	106.8965	0.004	2	106.8965	0.000	2	107.2755	0.123	11	107.4051	1.706	57	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCCH)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCCH)(H){3|C<3>,3|H<1>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(SC[6a]OO){1|O<1>,2|C<3>}	H(C[6]C[6,6a]N[6]C)	108.5130	0.000	1	108.5130	0.000	1	108.0585	0.413	2	107.4051	1.706	57	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CH3)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CH3)(H){3|C<3>,3|H<1>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<2>,2|C<3>}	H(C[6]C[6,6a]N[6]C)	107.6040	0.000	1	107.6040	0.000	1	108.0585	0.413	2	107.4051	1.706	57	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]C)(N[6]C[6]C)(CCHH)(H){2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	112.0660	0.000	1	112.0660	0.000	1	108.0265	7.261	4	107.4051	1.706	57	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[6a]HH)(H)	N[6](C[6]C[6]CH)2(CC[6a]HH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]C[6]C)(CC[6a]HH)(H){2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)2(CC[6a]HH){1|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	106.8090	0.000	1	106.8090	0.000	1	108.0265	7.261	4	107.4051	1.706	57	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[3,6]O)(N[6]C[6]C)(CC[6a]HH)(H)	N[6](C[6]C[3,6]CH)(C[6]C[6]CH)(CC[6a]HH)	H(C[6]C[6]N[6]C)	C[6](C[6]N[3,6]O)(N[6]C[6]C)(CC[6a]HH)(H){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[3,6]CH)(C[6]C[6]CH)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]C)	106.6280	0.000	1	106.6280	0.000	1	108.0265	7.261	4	107.4051	1.706	57	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]O[6]O)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[5a]CH)	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]O)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[5a]CH){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	106.6030	0.000	1	106.6030	0.000	1	108.0265	7.261	4	107.4051	1.706	57	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CCCH)(H)	N[6](C[6]C[4,6]HH)(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CCCH)(H){2|C<4>,2|H<1>}	N[6](C[6]C[4,6]HH)(C[6]C[6]CH)(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]C)	106.0450	0.000	1	106.0450	0.000	1	107.5379	0.926	21	107.4051	1.706	57	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CCHH)(H)	N[6](C[6]C[4,6]HH)(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CCHH)(H){2|C<4>,2|H<1>}	N[6](C[6]C[4,6]HH)(C[6]C[6]CH)(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]C)	108.2580	0.481	4	108.2694	0.174	5	107.5379	0.926	21	107.4051	1.706	57	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CCHH)(H)	N[6](C[6]C[4,6]HH)(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CCHH)(H){2|C<4>,3|H<1>}	N[6](C[6]C[4,6]HH)(C[6]C[6]CH)(SC[6a]OO){1|H<1>,3|C<4>}	H(C[6]C[6]N[6]C)	108.3150	0.000	1	108.2694	0.174	5	107.5379	0.926	21	107.4051	1.706	57	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CC[6a]HH)(H)	N[6](C[6]C[4,6]HH)(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[4,6]C)(N[6]C[6]S)(CC[6a]HH)(H){2|C<4>,2|H<1>}	N[6](C[6]C[4,6]HH)(C[6]C[6]CH)(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]C)	107.0150	0.395	3	107.0150	0.156	3	107.5379	0.926	21	107.4051	1.706	57	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(CCCH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]C)(N[6]C[6]S)(CCCH)(H){1|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	106.1090	0.000	1	106.1090	0.000	1	107.5379	0.926	21	107.4051	1.706	57	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(CH3)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]C)(N[6]C[6]S)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO){2|H<1>,4|C<3>}	H(C[6]C[6]N[6]C)	107.2110	0.000	1	107.2110	0.000	1	107.5379	0.926	21	107.4051	1.706	57	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(CCHH)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]C[6]S)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO){3|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	107.6960	0.382	2	107.6960	0.146	2	107.5379	0.926	21	107.4051	1.706	57	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(CH3)(H)	N[6](C[6]C[6]CH)2(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]C[6]S)(CH3)(H){2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)2(SC[6a]OO){1|C<3>,1|S<3>,2|H<1>}	H(C[6]C[6]N[6]C)	109.3795	0.146	2	109.3795	0.021	2	107.5379	0.926	21	107.4051	1.706	57	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(CH3)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]H)(N[6]C[6]S)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO){3|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	106.9970	0.000	1	106.9970	0.000	1	107.5379	0.926	21	107.4051	1.706	57	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(CC[6a]HH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(CC[6a]HH)(H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]C)	107.1017	0.655	4	107.1017	0.429	4	107.5379	0.926	21	107.4051	1.706	57	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(CHHO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(CHHO)(H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]C)	106.9840	0.000	1	106.9840	0.000	1	107.5379	0.926	21	107.4051	1.706	57	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:4:	4:	C[6a]-3:N[6]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6,6]C)(C[6]C[6]CC)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CC[6a]HH)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6]C)(C[6]C[6]CC)(H){2|C<3>,2|C<4>,5|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CC[6a]HH){1|H<1>,4|C<4>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	105.1550	0.000	1	105.1550	0.000	1	105.1550	0.000	1	107.4051	1.706	57	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:4:	4:	N[6]-3:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6]S)2(CC[6a]CH)(H)	N[6](C[6]C[6]HH)(C[6]N[6]CH)(SC[6a]OO)	H(C[6]N[6]2C)	C[6](N[6]C[6]S)2(CC[6a]CH)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]CH)(SC[6a]OO){1|C<4>,1|S<4>,2|H<1>}	H(C[6]N[6]2C)	108.6900	0.051	2	108.6900	0.003	2	108.6900	0.003	2	107.4051	1.706	57	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:4:	4:	N[6]-3:N[6]-3:C-4:H-1:	S[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]H)(N[6]S[6]C)(CClHH)(H)	N[6](S[6]C[6,6a]OO)(C[6]N[6]CH)(CH3)	H(C[6]N[6]2C)	C[6](N[6]C[6,6a]H)(N[6]S[6]C)(CClHH)(H){2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]N[6]CH)(CH3){1|H<1>,2|C<3>}	H(C[6]N[6]2C)	108.8630	0.000	1	108.8630	0.000	1	108.3625	0.501	2	107.4051	1.706	57	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:4:	4:	N[6]-3:N[6]-3:C-4:H-1:	S[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]H)(N[6]S[6]C)(CHHS)(H)	N[6](S[6]C[6,6a]OO)(C[6]N[6]CH)(CH3)	H(C[6]N[6]2C)	C[6](N[6]C[6,6a]H)(N[6]S[6]C)(CHHS)(H){2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]N[6]CH)(CH3){1|H<1>,2|C<3>}	H(C[6]N[6]2C)	107.8620	0.000	1	107.8620	0.000	1	108.3625	0.501	2	107.4051	1.706	57	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:4:	4:	N[6]-3:N[6]-3:Si-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6]C)2(SiC3)(H)	N[6](C[6]N[6]SiH)(C[6]N[6]HH)(CH3)	H(C[6]N[6]2Si)	C[6](N[6]C[6]C)2(SiC3)(H){1|N<3>,4|H<1>}	N[6](C[6]N[6]SiH)(C[6]N[6]HH)(CH3){3|C<4>}	H(C[6]N[6]2Si)	105.3252	1.734	4	105.3252	3.005	4	105.7870	1.842	7	107.4051	1.706	57	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:3:4:1:	4:4:4:	4:	N[6]-3:N[6]-3:Si-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6]C)2(SiC[6]CC)(H)	N[6](C[6]N[6]SiH)(C[6]N[6]HH)(CH3)	H(C[6]N[6]2Si)	C[6](N[6]C[6]C)2(SiC[6]CC)(H){1|N<3>,4|H<1>}	N[6](C[6]N[6]SiH)(C[6]N[6]HH)(CH3){3|C<4>}	H(C[6]N[6]2Si)	106.4027	0.148	3	106.4027	0.022	3	105.7870	1.842	7	107.4051	1.706	57	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|N<3>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH){1|Re<6>,1|C<3>,1|N<2>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.7405	0.006	2	109.8626	0.018	7	109.8626	0.018	7	109.7887	0.029	13	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|N<3>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH){1|Re<6>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.7180	0.000	1	109.8626	0.018	7	109.8626	0.018	7	109.7887	0.029	13	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|N<3>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]N[6])(C[6]C[6]HH){1|Ru<6>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.9597	0.086	4	109.8626	0.018	7	109.8626	0.018	7	109.7887	0.029	13	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH){2|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5260	0.034	2	109.5260	0.001	2	109.7025	0.030	6	109.7887	0.029	13	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:3:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]HH){2|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6]N[6]H)	109.7908	0.138	4	109.7908	0.019	4	109.7025	0.030	6	109.7887	0.029	13	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:1:	4:	N[6]-3:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[5a,6]H)(C[6,6]C[6]3)(H)2	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](N[6]C[5a,6]H)(C[6,6]C[6]3)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H){1|C<4>,1|N<2>,4|C<3>}	H(C[6]C[6,6]N[6]H)	108.5575	0.018	2	108.5575	0.000	2	108.5575	0.000	2	109.3980	2.071	29	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:1:	4:	N[6]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6,6]C[6]3)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](N[6]C[6,6a]H)(C[6,6]C[6]3)(H)2{2|C<3>,2|C<4>,6|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H){1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6]N[6]H)	109.5200	0.000	1	109.5200	0.000	1	109.5200	0.000	1	109.3980	2.071	29	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:D-1:	C[6]-4:	C[6](N[6]C[5a,6]D)(C[6]C[6]HO)(H)2	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(D)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a,6]D)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|N<3>}	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(D){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	H(C[6]C[6]N[6]H)	109.2780	1.472	2	109.2780	2.167	2	109.2780	2.167	2	109.3980	2.071	29	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H){1|Li<4>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.8295	0.023	2	108.9335	5.028	8	108.9335	5.028	8	109.3980	2.071	29	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H){1|W<6>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	108.6348	2.571	6	108.9335	5.028	8	108.9335	5.028	8	109.3980	2.071	29	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]C[6]CC)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]H)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]N[6]H)	109.7555	0.018	2	109.7555	0.000	2	109.8368	1.119	14	109.3980	2.071	29	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]C[6]CH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]H)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.5000	0.031	3	109.5000	0.001	3	109.8368	1.119	14	109.3980	2.071	29	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.8870	0.000	1	109.8870	0.000	1	109.8368	1.119	14	109.3980	2.071	29	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]C[6]HN)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HN)(H)2{4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	109.6570	0.007	2	109.6570	0.000	2	109.8368	1.119	14	109.3980	2.071	29	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]C[6]HO)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6255	0.029	2	109.6255	0.001	2	109.8368	1.119	14	109.3980	2.071	29	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	110.3130	2.092	4	110.3130	4.377	4	109.8368	1.119	14	109.3980	2.071	29	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	N[5a,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]N[5a,6]H)(C[6]N[6]HH)(H)2	N[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]N[5a,6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>}	N[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H){1|N<3>,2|H<1>,2|N<2>}	H(C[6]C[6]N[6]H)	109.0840	0.025	2	109.0840	0.001	2	109.0840	0.001	2	109.3980	2.071	29	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CC[6a]O)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CC[6a]O){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.9890	0.035	2	109.9890	0.001	2	110.0746	0.007	5	110.0423	0.008	12	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]O[6]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]O[6]HH)(H)2{2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO){1|Br<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	110.1317	0.040	3	110.1317	0.002	3	110.0746	0.007	5	110.0423	0.008	12	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:	C[6]-4:	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	110.0783	0.098	3	110.0783	0.010	3	110.0193	0.008	7	110.0423	0.008	12	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:	C[6]-4:	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.9750	0.064	4	109.9750	0.004	4	110.0193	0.008	7	110.0423	0.008	12	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6,6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[5a,6]C)(C[6,6]C[6]3)(H)2	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(CC[6a]HH)	H(C[6]C[6,6]N[6]H)	C[6](N[6]C[5a,6]C)(C[6,6]C[6]3)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(CC[6a]HH){1|C<4>,1|N<2>,4|C<3>}	H(C[6]C[6,6]N[6]H)	108.6142	0.045	5	108.6142	0.002	5	108.6142	0.002	5	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-3:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[5,6,6]S)(C[6]C[6]HH)(H)2	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6,6]S)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	108.9855	0.009	2	108.9855	0.000	2	108.9855	0.000	2	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(H)2	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.0120	0.035	2	109.0120	0.001	2	109.0120	0.001	2	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	N[6](C[5]B[5,5a]C[5,5])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,4|H<1>}	N[6](C[5]B[5,5a]C[5,5])(C[6]C[6]HH)2{1|C<3>,1|C<4>,2|N<4>,2|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7380	0.049	2	109.7380	0.002	2	109.4411	0.116	8	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	N[6](C[5]C[4,5]B[5])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,4|H<1>}	N[6](C[5]C[4,5]B[5])(C[6]C[6]HH)2{1|N<4>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.1547	0.426	3	109.1547	0.182	3	109.4411	0.116	8	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	N[6](C[5]C[5]N[5])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	N[6](C[5]C[5]N[5])(C[6]C[6]HH)2{1|N<3>,1|S<1>,2|S<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5297	0.039	3	109.5297	0.001	3	109.4411	0.116	8	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[5a,6]C)(C[6]C[6]HH)(H)2	N[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	N[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[6]HH)(CC[6a]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	108.8385	0.013	2	108.8385	0.000	2	109.0080	0.027	6	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[5a,6]C)(C[6]C[6]HH)(H)2	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	H(C[6]C[6]N[6]H)	109.2035	0.032	2	109.2035	0.001	2	109.0080	0.027	6	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[5a,6]C)(C[6]C[6]HH)(H)2	N[6](C[5a,6]N[5a,6a]C[5a,6])(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	N[6](C[5a,6]N[5a,6a]C[5a,6])(C[6]C[6]HH)(CC[6a]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	108.9820	0.024	2	108.9820	0.001	2	109.0080	0.027	6	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[5a,6]S)(C[6]C[6]HH)(H)2	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a,6]S)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	108.7725	0.049	2	108.7725	0.002	2	108.7725	0.002	2	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2{1|C<3>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7599	0.116	11	109.6948	0.023	15	109.5324	0.463	114	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2{1|C<4>,1|N<2>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5157	0.056	4	109.6948	0.023	15	109.5324	0.463	114	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	N[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,4|H<1>}	N[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2{1|C<2>,1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.2330	0.026	3	109.4281	0.041	11	109.5324	0.463	114	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	N[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,4|H<1>}	N[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2{1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.3740	0.177	4	109.4281	0.041	11	109.5324	0.463	114	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	N[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,4|H<1>}	N[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6285	0.104	4	109.4281	0.041	11	109.5324	0.463	114	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|S<2>,4|H<1>}	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4965	0.064	8	109.4965	0.004	8	109.5324	0.463	114	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]N[6]CH)(H)2	N[6](C[5a]N[5a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<2>}	N[6](C[5a]N[5a]2)(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	109.7815	0.070	2	109.7815	0.005	2	109.5324	0.463	114	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	N[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)2{1|N<3>,1|N<4>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.6157	0.155	4	109.6157	0.024	4	109.5324	0.463	114	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	N[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2{1|N<3>,1|N<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	108.8713	0.390	4	109.4758	0.248	12	109.5324	0.463	114	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	N[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	N[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2{1|N<3>,1|S<2>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6835	0.036	4	109.4758	0.248	12	109.5324	0.463	114	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	N[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	N[6](C[5a]C[5a,6a]N[5a])(C[6]C[6]HH)2{1|N<4>,1|S<2>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8725	0.038	4	109.4758	0.248	12	109.5324	0.463	114	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	N[6](C[5a]N[5a,6a]C[5a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6](C[5a]N[5a,6a]C[5a])(C[6]C[6]HH)2{1|N<3>,3|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.6130	0.032	4	109.6130	0.001	4	109.5324	0.463	114	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	N[6](C[5a]N[5a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<2>}	N[6](C[5a]N[5a]2)(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	109.8685	0.021	2	109.6212	0.183	6	109.5324	0.463	114	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	N[6](C[5a]N[5a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|N<2>,1|N<3>,2|C<4>,2|H<1>}	N[6](C[5a]N[5a]2)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4975	0.493	4	109.6212	0.183	6	109.5324	0.463	114	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|S<2>,2|H<1>}	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2{1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	108.8470	0.935	4	108.8470	0.874	4	109.5324	0.463	114	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	N[6](C[5a]C[5a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[5a]C[5a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.5588	0.138	8	109.5588	0.019	8	109.5324	0.463	114	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2{1|C<3>,1|O<2>,2|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6999	1.224	8	109.4192	1.637	26	109.5324	0.463	114	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2{1|N<2>,1|N<3>,2|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	108.1560	1.373	4	109.4192	1.637	26	109.5324	0.463	114	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2{1|N<2>,1|S<2>,2|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8508	0.041	4	109.4192	1.637	26	109.5324	0.463	114	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2{2|N<2>,2|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	108.8665	2.152	4	109.4192	1.637	26	109.5324	0.463	114	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	110.0727	0.020	3	109.4192	1.637	26	109.5324	0.463	114	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.8627	0.111	3	109.4192	1.637	26	109.5324	0.463	114	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	N[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	N[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	110.0340	0.020	2	110.0340	0.000	2	109.5324	0.463	114	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	N[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	N[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)2{1|C<3>,1|O<2>,2|N<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7215	0.047	4	109.7215	0.002	4	109.5324	0.463	114	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<2>,1|S<2>,2|H<1>}	N[6](C[5a]N[5a]S[5a])(C[6]C[6]HH)2{1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7459	0.164	8	109.7459	0.027	8	109.5324	0.463	114	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CCHH){3|H<1>,4|C<4>}	H(C[6]C[6]N[6]H)	108.4395	0.008	2	108.4395	0.000	2	108.8847	1.237	8	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	N[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2360	0.011	2	109.2360	0.000	2	108.8847	1.237	8	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]HH){2|H<1>,4|C<4>}	H(C[6]C[6]N[6]H)	109.9835	0.050	2	109.9835	0.003	2	108.8847	1.237	8	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CN[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CN[6]HH){2|H<1>,4|C<4>}	H(C[6]C[6]N[6]H)	107.8800	1.892	2	107.8800	3.580	2	108.8847	1.237	8	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2025	0.107	4	109.2025	0.011	4	109.0547	0.061	6	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]N[6]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3){1|C<3>,1|N<2>,2|H<1>,2|N<3>}	H(C[6]C[6]N[6]H)	108.7590	0.083	2	108.7590	0.007	2	109.0547	0.061	6	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]CH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]S)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	108.7845	0.011	2	108.7845	0.000	2	109.1943	0.098	14	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SCOO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]S)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SCOO){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4913	0.289	4	109.4913	0.084	4	109.1943	0.098	14	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]S)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.0410	0.182	4	109.0410	0.033	4	109.1943	0.098	14	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]N[6]CH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]S)(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4295	0.033	2	109.4295	0.001	2	109.1943	0.098	14	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]O[6]CH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]S)(C[6]O[6]CH)(H)2{2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.0815	0.030	2	109.0815	0.001	2	109.1943	0.098	14	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	109.4975	0.342	2	109.4975	0.117	2	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.5812	0.111	4	109.5812	0.012	4	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,1|N<2>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.6467	0.117	4	109.6467	0.014	4	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.5056	0.085	12	109.5056	0.007	12	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a,6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a,6a]2)(C[6]C[6]HH)2{1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4955	0.037	4	109.4955	0.001	4	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.5854	0.231	23	109.6238	0.047	32	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7370	0.216	4	109.6238	0.047	32	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.7096	0.090	5	109.6238	0.047	32	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5392	0.260	4	109.4001	0.117	20	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3653	0.358	16	109.4001	0.117	20	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH){1|C<4>,1|P<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4450	0.018	2	109.4450	0.000	2	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]N[6]H)	109.2035	0.018	2	109.3814	0.199	109	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|F<1>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.3445	0.141	4	109.3814	0.199	109	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<2>,1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.4120	0.201	4	109.3814	0.199	109	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|F<1>,1|N<3>,1|O<1>,4|H<1>}	H(C[6]C[6]N[6]H)	109.1355	0.960	4	109.3814	0.199	109	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.6061	0.207	25	109.3814	0.199	109	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,2|F<1>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5541	0.357	19	109.3814	0.199	109	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]N[6]H)	108.9345	0.357	21	109.3814	0.199	109	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.3961	0.474	10	109.3814	0.199	109	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	109.7067	0.190	3	109.3814	0.199	109	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5530	0.226	4	109.3814	0.199	109	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{3|C<3>,6|H<1>}	H(C[6]C[6]N[6]H)	109.3028	0.150	5	109.3814	0.199	109	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]N[6]H)	109.2927	0.090	4	109.3814	0.199	109	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6]N[6]H)	110.4390	0.006	2	109.3814	0.199	109	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	108.7175	0.586	2	109.3814	0.199	109	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.9073	0.265	3	109.5057	0.070	38	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<2>,5|H<1>}	H(C[6]C[6]N[6]H)	109.3753	0.094	3	109.5057	0.070	38	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.0897	0.012	3	109.5057	0.070	38	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.3385	0.052	11	109.5057	0.070	38	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5462	0.191	12	109.5057	0.070	38	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8680	0.114	4	109.5057	0.070	38	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6750	0.027	2	109.5057	0.070	38	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7830	0.205	4	109.6796	0.050	7	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<2>,4|H<1>}	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5417	0.191	3	109.6796	0.050	7	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4187	0.091	6	109.4853	0.022	8	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6850	0.054	2	109.4853	0.022	8	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|C<4>,2|F<1>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7131	0.075	8	109.5391	0.127	15	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|F<1>,1|N<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5420	0.008	2	109.5391	0.127	15	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<4>,2|C<3>,2|F<1>,3|H<1>}	H(C[6]C[6]N[6]H)	108.6845	0.057	2	109.5391	0.127	15	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,2|C<4>,2|F<1>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6430	0.026	3	109.5391	0.127	15	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[5a,6a]C[6a,6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[5a,6a]C[6a,6a])(C[6]C[6]HH)2{2|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	110.6202	2.253	4	110.6202	5.077	4	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2{1|N<2>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.4668	0.211	4	109.5219	0.021	18	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2{1|N<3>,3|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.4597	0.016	3	109.5219	0.021	18	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2{1|N<4>,3|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.5589	0.137	11	109.5219	0.021	18	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[5a,6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|S<4>,2|H<1>}	N[6](C[6a]C[5a,6a]N[6a])(C[6]C[6]HH)2{1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8475	1.431	4	109.8070	1.245	6	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[5a,6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	N[6](C[6a]C[5a,6a]N[6a])(C[6]C[6]HH)2{1|N<4>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7260	0.255	2	109.8070	1.245	6	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|N<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.1783	0.162	3	110.0592	1.409	16	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|F<1>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	110.3783	1.399	10	110.0592	1.409	16	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|F<1>,1|N<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8763	0.113	3	110.0592	1.409	16	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|N<3>,3|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.6691	0.097	7	109.5658	0.126	21	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|N<3>,3|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.2723	0.583	6	109.5658	0.126	21	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|N<3>,3|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.6954	0.072	8	109.5658	0.126	21	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]B[6]CH)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|B<3>,1|C<4>,1|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]B[6]CH)(C[6]C[6]HH){1|N<3>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4060	0.007	2	109.4102	0.000	5	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]B[6]CH)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|B<3>,1|C<4>,1|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]B[6]CH)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]N[6]H)	109.4130	0.006	3	109.4102	0.000	5	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|Al<4>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,6|H<1>}	H(C[6]C[6]N[6]H)	110.0252	1.634	8	109.5358	0.336	594	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	H(C[6]C[6]N[6]H)	109.3532	0.140	5	109.5358	0.336	594	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.6070	0.232	8	109.5358	0.336	594	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.5960	0.010	3	109.5358	0.336	594	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|S<2>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.8617	0.058	7	109.5358	0.336	594	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|F<1>,1|N<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6635	0.026	2	109.5358	0.336	594	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<4>,2|C<3>,2|F<1>,3|H<1>}	H(C[6]C[6]N[6]H)	108.9325	0.016	2	109.5358	0.336	594	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<4>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.7283	0.143	23	109.5358	0.336	594	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|Cl<1>,1|N<4>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.6783	0.060	3	109.5358	0.336	594	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<4>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.5243	0.545	114	109.5358	0.336	594	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.6439	0.153	21	109.5358	0.336	594	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,1|S<2>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.7024	0.135	23	109.5358	0.336	594	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,6|H<1>}	H(C[6]C[6]N[6]H)	109.4633	0.186	47	109.5358	0.336	594	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<2>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.6684	0.117	8	109.5358	0.336	594	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.4848	0.119	4	109.5358	0.336	594	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|Cl<1>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.2966	1.678	7	109.5358	0.336	594	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.4063	1.188	14	109.5358	0.336	594	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.6487	0.205	23	109.5358	0.336	594	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	H(C[6]C[6]N[6]H)	109.4168	0.735	74	109.5358	0.336	594	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{2|C<3>,2|N<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.7167	0.236	6	109.5358	0.336	594	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|Cl<1>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.8057	0.090	10	109.5358	0.336	594	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.8312	0.683	25	109.5358	0.336	594	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.6752	0.086	14	109.5358	0.336	594	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,6|H<1>}	H(C[6]C[6]N[6]H)	109.2868	0.564	71	109.5358	0.336	594	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{2|C<3>,2|N<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.5930	0.070	3	109.5358	0.336	594	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|Cl<1>,1|N<4>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.7283	0.092	16	109.5358	0.336	594	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<4>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.4927	0.291	18	109.5358	0.336	594	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.7337	1.149	12	109.5358	0.336	594	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,6|H<1>}	H(C[6]C[6]N[6]H)	109.4161	0.211	23	109.5358	0.336	594	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|S<4>,2|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.4950	0.139	3	109.4750	0.091	48	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|F<1>,1|N<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	108.9792	0.921	4	109.4750	0.091	48	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.5296	0.119	8	109.4750	0.091	48	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4952	0.118	4	109.4750	0.091	48	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<4>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.6184	0.086	15	109.4750	0.091	48	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<3>,1|N<2>,1|N<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.4257	0.103	3	109.4750	0.091	48	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.4208	0.085	11	109.4750	0.091	48	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.9960	0.055	2	109.8062	0.102	5	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,1|N<4>,4|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8955	0.073	2	109.8062	0.102	5	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH){1|N<4>,4|H<1>,5|C<3>}	H(C[6]C[6]N[6]H)	109.2480	0.000	1	109.8062	0.102	5	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<2>}	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5320	0.127	6	109.5936	0.014	24	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|N<2>,4|H<1>}	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5963	0.052	3	109.5936	0.014	24	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|Cu<4>,1|C<4>,2|N<2>,3|H<1>}	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|N<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6245	0.137	8	109.5936	0.014	24	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>,2|N<2>}	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6100	0.103	7	109.5936	0.014	24	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.8440	0.149	15	109.8440	0.022	15	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.6927	0.024	3	109.6927	0.001	3	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|C<3>,1|O<1>,1|O<2>,2|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	110.7398	3.745	4	110.3207	7.294	7	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.7620	0.150	3	110.3207	7.294	7	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|N<3>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	110.0290	0.000	1	109.9063	0.026	16	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.8981	0.163	15	109.9063	0.026	16	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](C[6a]C[6a,6a]N[6a])(C[6]C[6]HH)2{1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6786	0.269	7	109.6786	0.073	7	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|B<3>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.8957	0.038	3	109.7982	0.062	154	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<2>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.8372	0.136	11	109.7982	0.062	154	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.7318	0.095	4	109.7982	0.062	154	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|Cl<1>,1|C<3>,1|N<2>,1|O<2>,5|H<1>}	H(C[6]C[6]N[6]H)	109.6562	0.089	4	109.7982	0.062	154	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|Cl<1>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.9223	0.033	3	109.7982	0.062	154	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|N<2>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	110.1249	0.197	11	109.7982	0.062	154	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.8246	0.137	19	109.7982	0.062	154	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.8918	0.123	37	109.7982	0.062	154	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	110.0111	0.113	7	109.7982	0.062	154	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|O<2>,2|C<3>,6|H<1>}	H(C[6]C[6]N[6]H)	109.5085	0.287	34	109.7982	0.062	154	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.7973	0.099	16	109.7982	0.062	154	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{2|C<3>,2|O<2>,5|H<1>}	H(C[6]C[6]N[6]H)	109.9270	0.123	4	109.7982	0.062	154	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8300	0.000	1	109.7982	0.062	154	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|Br<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6743	0.097	4	109.7351	0.079	49	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<2>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8200	0.018	3	109.7351	0.079	49	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<3>,1|N<2>,1|O<2>,5|H<1>}	H(C[6]C[6]N[6]H)	109.9295	0.602	8	109.7351	0.079	49	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<3>,1|N<3>,1|O<2>,5|H<1>}	H(C[6]C[6]N[6]H)	109.7332	0.071	4	109.7351	0.079	49	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7668	0.057	4	109.7351	0.079	49	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8837	0.138	7	109.7351	0.079	49	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2{1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.5917	0.105	19	109.7351	0.079	49	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	110.0440	0.119	8	109.8803	0.041	33	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8778	0.233	15	109.8803	0.041	33	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>,2|N<2>}	N[6](C[6a]N[6a]2)(C[6]C[6]HH)2{1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7530	0.095	10	109.8803	0.041	33	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]S[6]HH)(H)2	N[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]S[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HH)2{1|C<4>,1|S<2>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.4083	0.019	4	109.4083	0.000	4	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]S[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]S[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|F<1>,1|S<2>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.4052	0.107	9	109.4052	0.012	9	109.5929	0.289	1295	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	N[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]N[5a]C[6])(C[6]O[6]HH)(H)2	N[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]N[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](N[5a]C[5a]N[5a])(C[6]C[6]HH)2{1|C<3>,1|O<2>,2|N<2>,4|H<1>}	H(C[6]C[6]N[6]H)	110.2941	0.136	7	110.2941	0.018	7	110.2941	0.018	7	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	3:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	N[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]N[6a]C[6])(C[6]O[6]HH)(H)2	N[6](N[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]N[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](N[6a]C[6a]2)(C[6]C[6]HH)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	110.7710	2.003	4	110.7710	4.013	4	110.7710	4.013	4	109.5757	0.324	1473	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6,6]C[6]3)(H)2	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)	H(C[6]C[6,6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6,6]C[6]3)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,6|H<1>}	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]N[6]H)	109.4330	0.096	4	109.4330	0.009	4	109.4330	0.009	4	109.5754	0.565	18	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[5,6]C[6a])(C[6]C[6]HH)(H)2	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|C<4>,4|H<1>,5|C<3>}	H(C[6]C[6]N[6]H)	109.7760	0.027	2	109.7760	0.001	2	109.7760	0.001	2	109.5754	0.565	18	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.4890	0.037	2	109.4890	0.001	2	109.5895	0.855	12	109.5754	0.565	18	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6]C[6]N[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[6](C[6]C[6]N[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|N<3>,3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4913	0.252	4	109.4913	0.064	4	109.5895	0.855	12	109.5754	0.565	18	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	N[6](C[6]N[6]SiH)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Si<4>,1|N<3>,2|C<3>,3|H<1>}	N[6](C[6]N[6]SiH)(C[6a]C[6a]2)(C[6]C[6]HH){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	109.8137	0.027	3	109.8137	0.001	3	109.5895	0.855	12	109.5754	0.565	18	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[5,6]HH)(H)2	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5610	0.000	1	109.5610	0.000	1	109.5895	0.855	12	109.5754	0.565	18	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:3:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,1|S<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5645	3.000	2	109.5645	9.002	2	109.5895	0.855	12	109.5754	0.565	18	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[3x6]H)(C[6]C[6]HH)(H)2	N[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[3x6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	N[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	108.6620	0.000	1	108.6620	0.000	1	109.6666	14.548	9	109.3535	2.885	108	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[3x6]H)(C[6]C[6]HH)(H)2	N[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[3x6]H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	N[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(H){1|C<3>,1|S<4>,3|C<4>,6|H<1>}	H(C[6]C[6]N[6]H)	109.7921	4.058	8	109.7921	16.464	8	109.6666	14.548	9	109.3535	2.885	108	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[5,6,6]H)(C[6]C[6]HH)(H)2	N[6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6,6]H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	N[6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	108.8555	0.022	2	108.8555	0.000	2	108.8555	0.000	2	109.3535	2.885	108	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[5,6]H)(C[6]C[6]CH)(H)2	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]H)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H){4|H<1>,5|C<4>}	H(C[6]C[6]N[6]H)	109.5490	0.025	2	109.5490	0.001	2	109.5212	0.131	5	109.3535	2.885	108	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(H)2	N[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	108.9130	0.000	1	108.9130	0.000	1	109.5212	0.131	5	109.3535	2.885	108	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[5,6]H)(C[6]S[6]HH)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]H)(C[6]S[6]HH)(H)2{1|H<1>,2|C<4>,2|O<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,1|S<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7975	0.032	2	109.7975	0.001	2	109.5212	0.131	5	109.3535	2.885	108	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	108.0140	3.122	4	108.0140	9.748	4	108.3466	3.900	12	109.3535	2.885	108	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.0175	2.222	2	108.0175	4.939	2	108.3466	3.900	12	109.3535	2.885	108	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	N[6](C[6,6]C[6]3)(C[6]C[6]HH)(H){4|C<4>,7|H<1>}	H(C[6]C[6]N[6]H)	109.4485	0.070	4	109.4485	0.005	4	108.3466	3.900	12	109.3535	2.885	108	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	N[6](C[6,6]N[6,6]C[6a]C[6])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	N[6](C[6,6]N[6,6]C[6a]C[6])(C[6]C[6]HH)(H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	107.1370	0.509	2	107.1370	0.259	2	108.3466	3.900	12	109.3535	2.885	108	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	P[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,2|N<2>}	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|P<4>}	H(C[6]C[6]N[6]H)	109.4766	0.810	45	109.4766	0.656	45	109.4713	1.698	80	109.3535	2.885	108	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	P[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,2|N<2>}	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H){1|C<4>,2|P<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6675	0.433	2	109.4645	3.097	35	109.4713	1.698	80	109.3535	2.885	108	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:1:	4:	N[6]-3:C[6]-4:H-1:H-1:	P[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,2|N<2>}	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|P<4>}	H(C[6]C[6]N[6]H)	109.4522	1.812	33	109.4645	3.097	35	109.4713	1.698	80	109.3535	2.885	108	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]C[6]CC)(H)2	N[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(CCO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]C[6]CC)(H)2{1|N<3>,2|C<4>,2|H<1>}	N[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(CCO){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]N[6]H)	108.9430	0.000	1	108.9430	0.000	1	108.9140	0.002	3	109.6553	0.110	29	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]C[6]CH)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.8995	0.047	2	108.8995	0.002	2	108.9140	0.002	3	109.6553	0.110	29	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:N-3:	C[6]-4:	C[6](N[6]C[5,6]N)(C[6]N[6]HH)(H)2	N[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(NOO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]N)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,2|N<3>}	N[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(NOO){1|C<3>,2|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3850	0.007	2	109.3850	0.000	2	109.3850	0.000	2	109.6553	0.110	29	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[4]-3:	C[6]-4:	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(C[4]C[4]2)	H(C[6]C[6]N[6]H)	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6]C[6]HH)2(C[4]C[4]2){2|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6082	0.063	4	109.6082	0.004	4	109.6082	0.004	4	109.6553	0.110	29	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(C[5]C[5]2)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6]C[6]HH)2(C[5]C[5]2){1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7135	0.205	4	109.7135	0.042	4	109.7303	0.035	15	109.6553	0.110	29	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(C[5]N[5]2)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{1|N<2>,1|N<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(C[5]N[5]2){1|N<4>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.4982	0.019	4	109.4982	0.000	4	109.7303	0.035	15	109.6553	0.110	29	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	N[6](C[6]C[6]HH)2(C[5]N[5]2)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)2(C[5]N[5]2){1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8724	0.032	7	109.8724	0.001	7	109.7303	0.035	15	109.6553	0.110	29	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[4]-3:	C[6]-4:	C[6](N[6]C[6]N[4])(C[6]O[6]HH)(H)2	N[6](C[6]C[6]HH)2(N[4]C[4]2)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]N[4])(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(N[4]C[4]2){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	H(C[6]C[6]N[6]H)	110.0140	0.058	3	110.0140	0.003	3	110.0140	0.003	3	109.6553	0.110	29	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:3:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N[5]-3:	C[6]-4:	C[6](N[6]C[6]N[5])(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(N[5]C[5]2)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]N[5])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(N[5]C[5]2){1|N<3>,2|C<3>,2|O<1>,4|H<1>}	H(C[6]C[6]N[6]H)	110.0310	0.092	2	110.0310	0.008	2	110.0310	0.008	2	109.6553	0.110	29	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	B[6,6]-4:C[6]-4:P-4:	C[6]-4:	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2	N[6](B[6,6]N[6,6]N[6]O)(C[6]C[6]HH)(PC[6a]2Ni)	H(C[6]C[6]N[6]H)	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2{1|N<3>,1|N<4>,1|O<2>,2|H<1>}	N[6](B[6,6]N[6,6]N[6]O)(C[6]C[6]HH)(PC[6a]2Ni){1|P<4>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6993	0.133	4	109.6993	0.018	4	109.6993	0.018	4	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[3,6]C[6])(C[6]O[6]HH)(H)2	N[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[3,6]C[6])(C[6]O[6]HH)(H)2{2|H<1>,4|C<4>}	N[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]HH)2{2|Cl<1>,1|C<3>,1|C<4>,1|O<2>,7|H<1>}	H(C[6]C[6]N[6]H)	110.3165	1.609	8	110.3165	2.588	8	110.3616	4.045	14	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[3,6]C[6])(C[6]O[6]HH)(H)2	N[6](C[3,6]C[6,6a]C[3,6]C[3])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[3,6]C[6])(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	N[6](C[3,6]C[6,6a]C[3,6]C[3])(C[6]C[6]HH)2{1|C<4>,1|O<2>,2|C<3>,2|F<1>,5|H<1>}	H(C[6]C[6]N[6]H)	109.9305	0.018	2	110.4218	6.885	6	110.3616	4.045	14	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[3,6]C[6])(C[6]O[6]HH)(H)2	N[6](C[3,6]C[6,6a]C[3,6]C[3])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[3,6]C[6])(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	N[6](C[3,6]C[6,6a]C[3,6]C[3])(C[6]C[6]HH)2{2|Cl<1>,1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	110.6675	3.352	4	110.4218	6.885	6	110.3616	4.045	14	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[3]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[3]C[6])(C[6]O[6]HH)(H)2	N[6](C[3]C[3]2H)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[3]C[6])(C[6]O[6]HH)(H)2{3|C<4>,3|H<1>}	N[6](C[3]C[3]2H)(C[6]C[6]HH)2{1|C<3>,1|O<2>,7|H<1>}	H(C[6]C[6]N[6]H)	109.6660	0.118	4	109.6506	0.017	7	109.6506	0.017	7	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[3]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[3]C[6])(C[6]O[6]HH)(H)2	N[6](C[3]C[3]2H)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[3]C[6])(C[6]O[6]HH)(H)2{3|C<4>,3|H<1>}	N[6](C[3]C[3]2H)(C[6]C[6]HH)2{1|O<2>,3|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.6300	0.166	3	109.6506	0.017	7	109.6506	0.017	7	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[3x6]C)(C[6]C[6]HH)(H)2	N[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[3x6]C)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	N[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(CCHH){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6]N[6]H)	109.0570	0.011	2	109.0570	0.000	2	108.5700	0.144	6	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[3x6]C)(C[6]C[6]HH)(H)2	N[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[3x6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	N[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]HH)(CCHH){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	108.2840	0.011	2	108.2840	0.000	2	108.5700	0.144	6	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[3x6]C)(C[6]C[6]HH)(H)2	N[6](C[3x6]C[5,4x6]C[6,6]O)(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[3x6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	N[6](C[3x6]C[5,4x6]C[6,6]O)(C[6]C[6]HH)(CCHH){4|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	108.3690	0.031	2	108.3690	0.001	2	108.5700	0.144	6	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[4,5]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[4,5]C[6])(C[6]C[6]HH)(H)2	N[6](C[4,5]C[4,5]B[4]C[5])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[4,5]C[6])(C[6]C[6]HH)(H)2{1|B<4>,1|C<4>,2|C<3>,4|H<1>}	N[6](C[4,5]C[4,5]B[4]C[5])(C[6]C[6]HH)2{1|B<4>,1|C<3>,1|C<4>,1|N<3>,1|N<4>,2|F<1>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4247	0.026	3	109.4247	0.001	3	109.4247	0.001	3	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[4]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(H)2	N[6](C[4]C[4]2Sn)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(H)2{1|Sn<5>,1|C<4>,2|C<3>,4|H<1>}	N[6](C[4]C[4]2Sn)(C[6]C[6]HH)2{1|C<3>,1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5325	0.040	4	109.5325	0.002	4	109.6465	0.140	23	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[4]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[4]C[6])(C[6]O[6]HH)(H)2	N[6](C[4]C[4,6a]C[4]C)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[4]C[6])(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	N[6](C[4]C[4,6a]C[4]C)(C[6]C[6]HH)2{1|C<4>,2|C<3>,2|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5648	0.185	15	109.5648	0.034	15	109.6465	0.140	23	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[4]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[4]C[6])(C[6]O[6]HH)(H)2	N[6](C[4]C[4]2H)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[4]C[6])(C[6]O[6]HH)(H)2{3|C<4>,3|H<1>}	N[6](C[4]C[4]2H)(C[6]C[6]HH)2{1|N<3>,1|O<2>,8|H<1>}	H(C[6]C[6]N[6]H)	110.0670	0.758	4	110.0670	0.575	4	109.6465	0.140	23	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5,5,6]C[6])(C[6]O[6]HH)(H)2	N[6](C[5,5,6]C[5,6]2O[5,5])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,5,6]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	N[6](C[5,5,6]C[5,6]2O[5,5])(C[6]C[6]HH)2{1|C<3>,1|N<2>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	109.7650	0.234	4	109.7650	0.055	4	109.7650	0.055	4	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[5,6,6]C)(C[6]C[6]HH)(H)2	N[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	N[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(CCHH){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	108.6478	0.095	4	108.6478	0.009	4	108.6478	0.009	4	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2	N[6](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	N[6](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6]C[6]HH)2{1|C<4>,4|H<1>,6|C<3>}	H(C[6]C[6]N[6]H)	109.6030	0.248	7	109.5825	0.041	11	109.5825	0.041	11	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2	N[6](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	N[6](C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6]C[6]HH)2{2|C<4>,4|H<1>,5|C<3>}	H(C[6]C[6]N[6]H)	109.5465	0.112	4	109.5825	0.041	11	109.5825	0.041	11	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	N[6](C[5,6]C[5,3x6]C[5]O)(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	N[6](C[5,6]C[5,3x6]C[5]O)(C[6]C[6]HH)(CCHH){1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6]N[6]H)	109.1965	0.068	4	109.1965	0.005	4	109.1387	0.388	23	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]CH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]CH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	107.9670	2.072	2	107.9670	4.292	2	109.1387	0.388	23	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	109.1140	0.011	2	108.9707	0.027	4	109.1387	0.388	23	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	108.8275	0.006	2	108.9707	0.027	4	109.1387	0.388	23	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	N[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	N[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CCHH){1|S<2>,2|H<1>,4|C<4>}	H(C[6]C[6]N[6]H)	108.7800	0.000	1	108.7800	0.000	1	109.1387	0.388	23	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]C[6]HN)(H)2	N[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]C[6]HN)(H)2{1|C<3>,1|N<3>,3|H<1>}	N[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6]HH)(CCHH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]N[6]H)	109.7000	0.006	2	109.7000	0.000	2	109.1387	0.388	23	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]N[6]HH)(H)2	N[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]N[6]HH)(H)2{1|Fe<8>,3|C<4>}	N[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(CCHH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4495	0.009	2	109.4495	0.000	2	109.1387	0.388	23	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]N[6]HH)(H)2	N[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]N[6]HH)(H)2{1|Fe<8>,3|C<4>}	N[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3135	0.103	8	109.3135	0.011	8	109.1387	0.388	23	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5,6]C[6])(C[6]N[6]HH)(H)2	N[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C[6])(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	N[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)2{1|N<3>,1|O<1>,2|H<1>,6|C<4>}	H(C[6]C[6]N[6]H)	109.7395	0.023	2	109.7395	0.001	2	109.7395	0.001	2	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(H)2	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(SC[6a]OO){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.3175	0.026	2	109.3175	0.001	2	109.4405	0.021	4	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(H)2	N[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(SO3)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	N[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(SO3){3|C<4>,8|H<1>}	H(C[6]C[6]N[6]H)	109.5635	0.053	2	109.5635	0.003	2	109.4405	0.021	4	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	N[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	N[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)2{1|N<3>,3|C<4>,7|H<1>}	H(C[6]C[6]N[6]H)	109.3443	0.062	4	109.3443	0.004	4	109.6558	0.041	83	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	N[6](C[5]C[5,6a]O[5]H)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	N[6](C[5]C[5,6a]O[5]H)(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5535	0.069	4	109.5535	0.005	4	109.6558	0.041	83	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	N[6](C[5]C[5]2H)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	N[6](C[5]C[5]2H)(C[6]C[6]HH)2{1|B<4>,3|C<4>,7|H<1>}	H(C[6]C[6]N[6]H)	109.5276	0.103	8	109.5276	0.011	8	109.6558	0.041	83	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	N[6](C[5]C[5]2Ti)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|Ti<13>,3|C<4>,4|H<1>}	N[6](C[5]C[5]2Ti)(C[6]C[6]HH)2{3|C<4>,6|H<1>}	H(C[6]C[6]N[6]H)	109.3513	0.094	7	109.3513	0.009	7	109.6558	0.041	83	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	N[6](C[5]C[5,6a]C[5]N[6])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[5]C[5,6a]C[5]N[6])(C[6]C[6]HH)2{1|O<1>,2|C<3>,2|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6580	0.164	5	109.6580	0.027	5	109.6558	0.041	83	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	N[6](C[5]C[5,6a]O[5]H)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[6](C[5]C[5,6a]O[5]H)(C[6]C[6]HH)2{1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7555	0.100	2	109.7555	0.010	2	109.6558	0.041	83	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	N[6](C[5]C[5]2H)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	N[6](C[5]C[5]2H)(C[6]C[6]HH)2{1|N<4>,3|C<3>,6|H<1>}	H(C[6]C[6]N[6]H)	109.8336	0.107	7	109.6359	0.030	20	109.6558	0.041	83	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	N[6](C[5]C[5]2H)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{3|H<1>,4|C<4>}	N[6](C[5]C[5]2H)(C[6]C[6]HH)2{1|N<3>,2|C<4>,8|H<1>}	H(C[6]C[6]N[6]H)	109.5294	0.084	13	109.6359	0.030	20	109.6558	0.041	83	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	N[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{3|C<4>,3|H<1>}	N[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)2{1|Cl<1>,1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	109.7472	0.099	4	109.7472	0.010	4	109.6558	0.041	83	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	N[6](C[5]C[5,6a]2H)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[5]C[5,6a]2H)(C[6]C[6]HH)2{1|O<2>,4|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8048	0.113	10	109.8048	0.013	10	109.6558	0.041	83	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	N[6](C[5]C[5,6a]C[5]H)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	N[6](C[5]C[5,6a]C[5]H)(C[6]C[6]HH)2{1|C<4>,1|O<2>,2|C<3>,6|H<1>}	H(C[6]C[6]N[6]H)	109.8317	0.175	3	109.8317	0.031	3	109.6558	0.041	83	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	N[6](C[5]C[5,6a]C[5]N[6])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6](C[5]C[5,6a]C[5]N[6])(C[6]C[6]HH)2{1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.9363	0.049	6	109.9363	0.002	6	109.6558	0.041	83	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	N[6](C[5]C[5,6a]O[5]H)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	N[6](C[5]C[5,6a]O[5]H)(C[6]C[6]HH)2{1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7766	0.137	7	109.7766	0.019	7	109.6558	0.041	83	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	N[6](C[5]C[5]O[5]H)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]HH)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6857	0.023	3	109.6857	0.001	3	109.6558	0.041	83	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]CH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5700	0.023	2	109.1828	1.840	10	109.2918	0.543	56	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]CH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){3|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	109.5510	0.152	4	109.1828	1.840	10	109.2918	0.543	56	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]CH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.6210	2.190	4	109.1828	1.840	10	109.2918	0.543	56	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	N[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(CCHH){4|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	107.4760	0.730	2	107.4760	0.533	2	109.2918	0.543	56	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	N[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCHH){3|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	109.2657	0.074	4	109.2657	0.005	4	109.2918	0.543	56	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<2>,2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CC[6a]HH){3|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	109.2505	0.015	2	109.2505	0.000	2	109.2918	0.543	56	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.5206	0.144	8	109.5109	0.192	18	109.2918	0.543	56	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH){1|N<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.7799	0.091	8	109.5109	0.192	18	109.2918	0.543	56	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	108.3965	0.049	2	109.5109	0.192	18	109.2918	0.543	56	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]2H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]2H){3|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	109.2561	0.049	7	109.2561	0.002	7	109.2918	0.543	56	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH){3|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	109.3515	0.018	2	109.3515	0.000	2	109.2918	0.543	56	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.2400	1.228	2	109.2400	1.507	2	109.2918	0.543	56	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.3260	0.000	1	109.4680	0.016	3	109.2918	0.543	56	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5390	0.031	2	109.4680	0.016	3	109.2918	0.543	56	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]O[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH){1|C<3>,2|O<2>,5|H<1>}	H(C[6]C[6]N[6]H)	109.1735	0.021	2	109.1735	0.000	2	109.2918	0.543	56	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]O[6]HH)(H)2	N[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>}	N[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(CC[6a]HH){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5185	0.019	4	109.5185	0.000	4	109.2918	0.543	56	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6](C[6,6]C[3x6]2H)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	N[6](C[6,6]C[3x6]2H)(C[6]C[6]HH)2{2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6]N[6]H)	109.3377	0.014	3	109.3377	0.000	3	109.6240	0.082	25	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<2>,3|C<4>,4|H<1>}	N[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)2{2|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6]N[6]H)	109.5447	0.202	4	109.5447	0.041	4	109.6240	0.082	25	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)2{1|O<2>,3|C<4>,7|H<1>}	H(C[6]C[6]N[6]H)	109.1775	0.116	4	109.1775	0.014	4	109.6240	0.082	25	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]C[6])(C[6]O[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C[6])(C[6]O[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	N[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)2{1|C<3>,1|C<4>,3|O<2>,7|H<1>}	H(C[6]C[6]N[6]H)	109.8672	0.058	4	109.8355	0.009	14	109.6240	0.082	25	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]C[6])(C[6]O[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C[6])(C[6]O[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	N[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)2{1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[6]C[6]N[6]H)	109.8020	0.048	4	109.8355	0.009	14	109.6240	0.082	25	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]C[6])(C[6]O[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C[6])(C[6]O[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	N[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)2{1|O<2>,2|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6]N[6]H)	109.8787	0.104	3	109.8355	0.009	14	109.6240	0.082	25	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]C[6])(C[6]O[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C[6])(C[6]O[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	N[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)2{2|O<2>,3|C<4>,7|H<1>}	H(C[6]C[6]N[6]H)	109.7947	0.164	3	109.8355	0.009	14	109.6240	0.082	25	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6,6]S)(C[6]C[6]CH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]S)(C[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.2925	0.025	2	109.2925	0.001	2	109.1387	0.506	21	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6,6]S)(C[6]C[6]FH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]S)(C[6]C[6]FH)(H)2{2|C<4>,3|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|F<1>,2|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.2105	0.006	2	109.2105	0.000	2	109.1387	0.506	21	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6,6]S)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]S)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3165	0.013	2	109.3165	0.000	2	109.1387	0.506	21	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6,6]S)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]S)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(SC[6a]OO){3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5505	0.026	2	109.5505	0.001	2	109.1387	0.506	21	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6,6]S)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6]3)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]S)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6]C[6]3)(C[6]C[6]HH)(SC[6a]OO){1|O<1>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	109.1182	0.138	5	109.1182	0.019	5	109.1387	0.506	21	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6,6]S)(C[6]C[6]HO)(H)2	N[6](C[6,6]C[6]3)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]S)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6]C[6]3)(C[6]C[6]HH)(SC[6a]OO){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.1190	0.038	2	109.1190	0.001	2	109.1387	0.506	21	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6,6]S)(C[6]N[6]CH)(H)2	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]S)(C[6]N[6]CH)(H)2{1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]N[6]H)	109.5505	0.070	4	109.5505	0.005	4	109.1387	0.506	21	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6,6]S)(C[6]N[6]HH)(H)2	N[6](C[6,6]C[6]3)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]S)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>}	N[6](C[6,6]C[6]3)(C[6]C[6]HH)(SC[6a]OO){1|N<3>,2|C<4>,8|H<1>}	H(C[6]C[6]N[6]H)	107.5710	1.991	2	107.5710	3.965	2	109.1387	0.506	21	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P[6]-4:	C[6]-4:	C[6](N[6]C[6]P[6])(C[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(P[6]N[6]2O)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]P[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|N<2>,4|H<1>}	N[6](C[6]C[6]HH)2(P[6]N[6]2O){1|C<4>,2|P<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6150	0.043	4	109.6150	0.002	4	109.6444	0.015	12	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P[6]-4:	C[6]-4:	C[6](N[6]C[6]P[6])(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(P[6]O[6]2O)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]P[6])(C[6]N[6]HH)(H)2{1|C<4>,1|O<1>,1|P<4>,2|H<1>,2|O<2>}	N[6](C[6]C[6]HH)2(P[6]O[6]2O){1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6200	0.199	4	109.6200	0.040	4	109.6444	0.015	12	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P[6]-4:	C[6]-4:	C[6](N[6]C[6]P[6])(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(P[6]O[6]2S)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]P[6])(C[6]N[6]HH)(H)2{1|C<4>,1|P<4>,1|S<1>,2|H<1>,2|O<2>}	N[6](C[6]C[6]HH)2(P[6]O[6]2S){1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6983	0.095	4	109.6983	0.009	4	109.6444	0.015	12	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	N[4]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6]N[4])(C[6]C[6]HH)(H)2	N[6](N[4]C[6,6]Ga[4]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]N[4])(C[6]C[6]HH)(H)2{2|Ga<4>,2|C<4>,4|H<1>}	N[6](N[4]C[6,6]Ga[4]2)(C[6]C[6]HH)2{1|N<4>,5|H<1>,7|C<4>}	H(C[6]C[6]N[6]H)	109.6239	0.103	8	109.6239	0.011	8	109.6239	0.011	8	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	P[4]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6]P[4])(C[6]N[6]HH)(H)2	N[6](P[4]N[4]2Cu)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]P[4])(C[6]N[6]HH)(H)2{1|Cu<3>,2|C<4>,2|H<1>,2|N<3>}	N[6](P[4]N[4]2Cu)(C[6]C[6]HH)2{1|N<3>,1|P<4>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6345	0.074	8	109.6212	0.004	12	109.6256	0.007	20	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	P[4]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6]P[4])(C[6]N[6]HH)(H)2	N[6](P[4]N[4]2Cu)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]P[4])(C[6]N[6]HH)(H)2{1|Cu<4>,2|C<4>,2|H<1>,2|N<3>}	N[6](P[4]N[4]2Cu)(C[6]C[6]HH)2{1|N<3>,1|P<4>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5945	0.047	4	109.6212	0.004	12	109.6256	0.007	20	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	P[4]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6]P[4])(C[6]N[6]HH)(H)2	N[6](P[4]N[4]2Se)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]P[4])(C[6]N[6]HH)(H)2{1|Se<1>,2|H<1>,2|N<3>,3|C<4>}	N[6](P[4]N[4]2Se)(C[6]C[6]HH)2{1|N<4>,1|P<4>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5512	0.085	4	109.5512	0.007	4	109.6256	0.007	20	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	P[4]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6]P[4])(C[6]O[6]HH)(H)2	N[6](P[4]N[4]2Cu)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]P[4])(C[6]O[6]HH)(H)2{1|Cu<4>,1|C<4>,2|H<1>,2|N<3>}	N[6](P[4]N[4]2Cu)(C[6]C[6]HH)2{1|O<2>,1|P<4>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7130	0.022	4	109.7130	0.000	4	109.6256	0.007	20	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	P[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,2|N<2>}	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)(CC[6a]HH){1|C<4>,2|H<1>,2|P<4>}	H(C[6]C[6]N[6]H)	109.4425	0.019	2	109.4425	0.000	2	109.1524	0.142	90	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	P[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,2|N<2>}	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CCHH){1|C<4>,2|P<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.9630	0.144	21	109.0777	0.060	35	109.1524	0.142	90	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	P[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,2|N<2>}	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CCHH){2|C<4>,2|H<1>,2|P<4>}	H(C[6]C[6]N[6]H)	109.3213	0.245	11	109.0777	0.060	35	109.1524	0.142	90	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	P[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,3|N<2>}	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CCHH){1|C<4>,2|H<1>,2|P<4>}	H(C[6]C[6]N[6]H)	108.9883	0.174	3	109.0777	0.060	35	109.1524	0.142	90	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	P[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CC[5]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,2|N<2>}	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CC[5]HH){2|C<4>,2|H<1>,2|P<4>}	H(C[6]C[6]N[6]H)	109.2225	0.319	8	109.1859	0.068	12	109.1524	0.142	90	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	P[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CC[5]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,3|N<2>}	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CC[5]HH){1|C<4>,2|H<1>,2|P<4>}	H(C[6]C[6]N[6]H)	109.1128	0.049	4	109.1859	0.068	12	109.1524	0.142	90	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	P[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,2|N<2>}	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CC[6a]HH){2|C<4>,2|H<1>,2|P<4>}	H(C[6]C[6]N[6]H)	108.6220	0.954	7	108.6220	0.911	7	109.1524	0.142	90	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	P[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,2|N<2>}	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CH3){1|C<4>,2|H<1>,3|P<4>}	H(C[6]C[6]N[6]H)	109.2725	0.008	2	109.3095	0.037	34	109.1524	0.142	90	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	P[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,2|N<2>}	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CH3){1|C<4>,2|P<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.1840	0.082	14	109.3095	0.037	34	109.1524	0.142	90	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	P[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,2|N<2>}	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CH3){2|C<4>,2|H<1>,2|P<4>}	H(C[6]C[6]N[6]H)	109.5401	0.102	12	109.3095	0.037	34	109.1524	0.142	90	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	P[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,3|N<2>}	N[6](P[6,6]N[6]3)(C[6]C[6]HH)(CH3){1|C<4>,2|H<1>,2|P<4>}	H(C[6]C[6]N[6]H)	109.1533	0.069	6	109.3095	0.037	34	109.1524	0.142	90	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	P[6,6]-4:P[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]P[6,6]P[6])(C[6]C[6]HH)(H)2	N[6](P[6,6]N[6]3)(P[6]N[6]2Cl)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](N[6]P[6,6]P[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|N<3>,2|H<1>,4|N<2>}	N[6](P[6,6]N[6]3)(P[6]N[6]2Cl)(C[6]C[6]HH){2|C<4>,2|H<1>,4|P<4>}	H(C[6]C[6]N[6]H)	109.2540	0.011	2	109.2540	0.000	2	109.2540	0.000	2	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6]P[6])(C[6]C[6]HH)(H)2	N[6](P[6]C[6a]N[6]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]P[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<2>,4|H<1>}	N[6](P[6]C[6a]N[6]2)(C[6]C[6]HH)2{1|C<4>,2|C<3>,2|P<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.2273	0.018	3	109.2273	0.000	3	110.2131	1.614	14	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6]P[6])(C[6]C[6]HH)(H)2	N[6](P[6]N[6]2Cl)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]P[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,2|N<2>,4|H<1>}	N[6](P[6]N[6]2Cl)(C[6]C[6]HH)2{1|C<4>,2|P<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.2613	0.007	3	109.2613	0.000	3	110.2131	1.614	14	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:1:1:	4:4:4:	4:	N[6]-3:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6]P[6])(C[6]O[6]HH)(H)2	N[6](P[6]C[6]2N[6])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]P[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6](P[6]C[6]2N[6])(C[6]C[6]HH)2{1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6]N[6]H)	110.9396	1.261	8	110.9396	1.590	8	110.2131	1.614	14	109.4592	0.445	436	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:2:1:	3:3:4:	4:	N[6]-3:C[6]-4:O-2:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(OC)(H)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO)	H(C[6]C[6]N[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(OC)(H){1|O<1>,4|C<3>}	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO){1|N<2>,3|H<1>,6|C<3>}	H(C[6]C[6]N[6]O)	102.6010	0.000	1	102.6010	0.000	1	102.6010	0.000	1	102.6010	0.000	1	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:2:1:	3:4:1:	4:	N[6]-3:C[6]-4:C-2:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]S[6]CC)(CN)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]H)(C[6]S[6]CC)(CN)(H){2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|H<1>,1|S<2>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]C)	107.2380	0.000	1	107.2380	0.000	1	107.2380	0.000	1	107.2380	0.000	1	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	3:4:1:	4:	C[5a]-3:C[5,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5a]H)(H)	H(C[6]C[5,6]C[5a]N[6])	C[6](C[5a]C[5a,6a]C[5a])(C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(H){1|N<3>,4|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5a]H)(H){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[5a]N[6])	108.5210	0.000	1	108.5210	0.000	1	108.5210	0.000	1	108.6260	0.022	2	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	3:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(H){1|H<1>,1|N<2>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.7310	0.000	1	108.7310	0.000	1	108.7310	0.000	1	108.6260	0.022	2	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	3:4:2:	4:	N[6]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:O[6]-2:	C[6]-4:	C[6](N[6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(O[6]C[6])	H(C[6]C[6]2N[6])	C[6](N[6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(O[6]C[6]){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2N[6])	106.6195	0.276	2	106.6195	0.076	2	106.6195	0.076	2	106.6195	0.076	2	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	3:4:4:	4:	N[6]-3:C[3]-4:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[3]C[3]2H)(N[6]C[6]N)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3]N[6]H)(CH3)	H(C[6]C[3]N[6]2)	C[6](N[6]C[6,6a]C)(C[3]C[3]2H)(N[6]C[6]N)(H){1|O<1>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3]N[6]H)(CH3){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[3]N[6]2)	107.9330	0.000	1	107.9330	0.000	1	107.9330	0.000	1	107.9940	0.007	2	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	3:4:4:	4:	N[6]-3:C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CN[5]O)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CN[5]O)(H){3|C<3>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH){3|C<3>,5|H<1>}	H(C[6]C[6]N[6]C)	108.0550	0.000	1	108.0550	0.000	1	108.0550	0.000	1	107.9940	0.007	2	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:2:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:O[6]-2:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]O[6]C)(H)	N[6](C[6]C[6a]C[6]H)(O[6]C[6])(COO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]O[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(O[6]C[6])(COO){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	106.4840	0.000	1	106.4840	0.000	1	106.4840	0.000	1	106.4840	0.000	1	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:3:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]H)(H)	N[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]H)(H){1|C<4>,3|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	109.2000	0.000	1	109.2000	0.000	1	109.2000	0.000	1	109.2000	0.000	1	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:3:3:	4:	C[6,6]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:B[5a]-3:C[6]-3:	C[6]-4:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]N[6]H)(N[6]B[5a]C[6])(H)	N[6](C[6]C[6,6]C[6]H)(B[5a]N[5a]2)(C[6]C[6,6]H)	H(C[6]C[6,6]C[6]N[6])	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]N[6]H)(N[6]B[5a]C[6])(H){1|B<3>,2|C<4>,3|C<3>,3|H<1>,3|N<3>}	N[6](C[6]C[6,6]C[6]H)(B[5a]N[5a]2)(C[6]C[6,6]H){1|H<1>,1|N<3>,2|C<4>,6|C<3>}	H(C[6]C[6,6]C[6]N[6])	106.4190	0.000	1	106.4190	0.000	1	106.4190	0.000	1	107.0503	0.190	4	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(H)	N[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])(COO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])(COO){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.3880	0.000	1	107.2607	0.020	3	107.2607	0.020	3	107.0503	0.190	4	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(H)	N[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])(COO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])(COO){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.1970	0.126	2	107.2607	0.020	3	107.2607	0.020	3	107.0503	0.190	4	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:3:4:	4:	C[5a,6]-3:C[5]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[5]C[5]O[5]C)(N[6]C[6a]C[6])(H)	N[6](C[6]C[5a,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[5a,6]C[5]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[5]C[5]O[5]C)(N[6]C[6a]C[6])(H){1|N<2>,2|C<4>,4|H<1>,5|C<3>}	N[6](C[6]C[5a,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	H(C[6]C[5a,6]C[5]N[6])	108.0570	0.000	1	108.0570	0.000	1	108.0570	0.000	1	106.9464	1.685	5	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:3:4:	4:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]O)(N[6]C[6a]C[6])(H)	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]C[5]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]O)(N[6]C[6a]C[6])(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|O<2>,4|H<1>,6|C<3>}	H(C[6]C[6,6a]C[5]N[6])	106.7300	0.000	1	106.7300	0.000	1	106.7300	0.000	1	106.9464	1.685	5	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:3:4:	4:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6a]C[6])(H)	N[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6a]C[6])(H){2|C<4>,3|H<1>,7|C<3>}	N[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,5|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]N[6])	107.4530	0.000	1	107.4530	0.000	1	107.4530	0.000	1	106.9464	1.685	5	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]2)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]N[6])(C[6]C[6]HH)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]2)(H){1|N<3>,3|C<3>,3|C<4>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]N[6])(C[6]C[6]HH){1|C<4>,1|N<4>,4|C<3>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	104.7930	0.000	1	104.7930	0.000	1	104.7930	0.000	1	106.9464	1.685	5	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:3:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:N[6]-3:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]N[6]C)(H)	N[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(CH3)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]N[6]C)(H){2|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(CH3){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	107.6990	0.000	1	107.6990	0.000	1	107.6990	0.000	1	106.9464	1.685	5	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[5]-3:N[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5]C[5]N[5])(N[6]C[6]CuC)(N[6]C[6]H)(H)	N[6](C[6]C[5]N[6]H)(C[6]C[6]HH)(H)	H(C[6]C[5]N[6]2)	C[6](C[5]C[5]N[5])(N[6]C[6]CuC)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N[6](C[6]C[5]N[6]H)(C[6]C[6]HH)(H){1|Cu<5>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5]N[6]2)	110.0520	0.000	1	110.0520	0.000	1	110.0520	0.000	1	108.3729	2.768	112	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]H)(H)	N[6](C[6]C[5a]C[6]H)2(H)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[6](C[6]C[5a]C[6]H)2(H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	H(C[6]C[5a]C[6]N[6])	108.6390	0.000	1	108.6390	0.000	1	107.4870	1.038	11	108.3729	2.768	112	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6]C[5a]C[6]H)2(H)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[6](C[6]C[5a]C[6]H)2(H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	H(C[6]C[5a]C[6]N[6])	109.1570	0.000	1	109.1570	0.000	1	107.4870	1.038	11	108.3729	2.768	112	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5a]N[5a]2)(C[6]C[6]CC)(N[6]C[6]H)(H)	N[6](C[6]C[5a]C[6]H)(C[6]O[6]CH)(H)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]N[5a]2)(C[6]C[6]CC)(N[6]C[6]H)(H){1|O<2>,2|C<4>,2|N<2>,3|H<1>}	N[6](C[6]C[5a]C[6]H)(C[6]O[6]CH)(H){1|N<2>,1|N<3>,3|C<4>}	H(C[6]C[5a]C[6]N[6])	106.0295	0.237	2	106.0295	0.056	2	107.4870	1.038	11	108.3729	2.768	112	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5a]N[5a]2)(C[6]O[6]HH)(N[6]C[6]H)(H)	N[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]N[5a]2)(C[6]O[6]HH)(N[6]C[6]H)(H){2|C<4>,2|H<1>,2|N<2>}	N[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[5a]C[6]N[6])	107.9120	0.000	1	107.9120	0.000	1	107.4870	1.038	11	108.3729	2.768	112	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]HH)(N[6]C[6]H)(H)	N[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]HH)(H)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]HH)(N[6]C[6]H)(H){2|H<1>,4|C<3>}	N[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]HH)(H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[5a]C[6]N[6])	107.3494	0.623	5	107.3494	0.388	5	107.4870	1.038	11	108.3729	2.768	112	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]HH)(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[5a]C[6]H)(H)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]HH)(N[6]C[6]H)(H){1|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[5a]C[6]H)(H){1|N<2>,1|S<2>,2|H<1>,4|C<3>}	H(C[6]C[5a]C[6]N[6])	107.8430	0.000	1	107.8430	0.000	1	107.4870	1.038	11	108.3729	2.768	112	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(C)	H(C[6]C[6,6a]C[6]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(N[6]C[6]C)(H){2|C<3>,3|C<4>,7|H<1>}	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(C){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]N[6])	106.8655	0.083	2	106.8655	0.007	2	106.8655	0.007	2	108.3729	2.768	112	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(H)	H(C[6]C[6,6a]C[6]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]H)(H){2|C<4>,3|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(H){1|N<3>,3|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]N[6])	107.2575	0.619	2	107.2575	0.383	2	107.2575	0.383	2	108.3729	2.768	112	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[6]-3:N[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[6])(N[6]C[6]NiC)(N[6]C[6]H)(H)	N[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]2)	C[6](C[6]C[6]N[6])(N[6]C[6]NiC)(N[6]C[6]H)(H){1|C<4>,2|C<3>,5|H<1>}	N[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H){1|Ni<6>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]2)	95.5017	0.000	1	95.5017	0.000	1	95.5017	0.000	1	108.3729	2.768	112	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)2(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]H)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(H){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.4340	0.000	1	107.6303	0.059	4	108.6380	1.137	93	108.3729	2.768	112	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)2(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(H){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.6957	0.251	3	107.6303	0.059	4	108.6380	1.137	93	108.3729	2.768	112	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	106.9240	0.000	1	106.6890	0.340	3	108.6380	1.137	93	108.3729	2.768	112	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,3|C<3>,5|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	106.0250	0.000	1	106.6890	0.340	3	108.6380	1.137	93	108.3729	2.768	112	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){2|C<3>,2|C<4>,5|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.1180	0.000	1	106.6890	0.340	3	108.6380	1.137	93	108.3729	2.768	112	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|N<2>,3|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(H){1|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	106.8710	0.000	1	106.8710	0.000	1	108.6380	1.137	93	108.3729	2.768	112	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)2(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(H){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	108.3203	0.390	3	108.6135	0.443	27	108.6380	1.137	93	108.3729	2.768	112	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)2(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6]H)2(H){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.9608	1.479	4	108.6135	0.443	27	108.6380	1.137	93	108.3729	2.768	112	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)2(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(H){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	108.6722	0.269	11	108.6135	0.443	27	108.6380	1.137	93	108.3729	2.768	112	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)2(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(H){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	108.6873	0.071	4	108.6135	0.443	27	108.6380	1.137	93	108.3729	2.768	112	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)2(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(H){3|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	109.3890	0.108	3	108.6135	0.443	27	108.6380	1.137	93	108.3729	2.768	112	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)2(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,3|C<3>,5|H<1>}	N[6](C[6]C[6a]C[6]H)2(H){2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.5960	0.000	1	108.6135	0.443	27	108.6380	1.137	93	108.3729	2.768	112	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)2(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]H)2(H){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	108.8540	0.000	1	108.6135	0.443	27	108.6380	1.137	93	108.3729	2.768	112	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]2H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){2|C<3>,2|C<4>,5|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]2H)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	108.9280	0.000	1	108.9280	0.000	1	108.6380	1.137	93	108.3729	2.768	112	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)(H){3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	106.9960	0.065	2	106.9960	0.004	2	108.6380	1.137	93	108.3729	2.768	112	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	108.3780	0.000	1	108.3780	0.000	1	108.6380	1.137	93	108.3729	2.768	112	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<2>,3|C<3>,5|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	106.9730	0.000	1	106.9730	0.000	1	108.6380	1.137	93	108.3729	2.768	112	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)2(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(H){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	108.1753	0.662	3	108.8109	0.213	34	108.6380	1.137	93	108.3729	2.768	112	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)2(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(H){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	108.6450	0.000	1	108.8109	0.213	34	108.6380	1.137	93	108.3729	2.768	112	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)2(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(H){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	108.7285	0.496	11	108.8109	0.213	34	108.6380	1.137	93	108.3729	2.768	112	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)2(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(H){1|Cl<1>,1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	109.1297	0.185	3	108.8109	0.213	34	108.6380	1.137	93	108.3729	2.768	112	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)2(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(H){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	108.8550	0.027	3	108.8109	0.213	34	108.6380	1.137	93	108.3729	2.768	112	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)2(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(H){3|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	109.2282	0.261	5	108.8109	0.213	34	108.6380	1.137	93	108.3729	2.768	112	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)2(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,3|C<3>,5|H<1>}	N[6](C[6]C[6a]C[6]H)2(H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	108.7073	0.200	4	108.8109	0.213	34	108.6380	1.137	93	108.3729	2.768	112	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)2(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,3|C<3>,5|H<1>}	N[6](C[6]C[6a]C[6]H)2(H){2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.6990	0.000	1	108.8109	0.213	34	108.6380	1.137	93	108.3729	2.768	112	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)2(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]H)2(H){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	108.2740	0.000	1	108.8109	0.213	34	108.6380	1.137	93	108.3729	2.768	112	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)2(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]H)2(H){4|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	109.2445	0.062	2	108.8109	0.213	34	108.6380	1.137	93	108.3729	2.768	112	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]H)(H){2|C<3>,2|C<4>,5|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	106.6770	0.000	1	106.6770	0.000	1	108.6380	1.137	93	108.3729	2.768	112	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)2(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]H)(H){1|O<2>,3|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]H)2(H){1|H<1>,1|S<2>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	109.3857	0.457	3	109.3857	0.209	3	108.6380	1.137	93	108.3729	2.768	112	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	108.4960	0.000	1	108.7400	0.119	2	108.6380	1.137	93	108.3729	2.768	112	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]H)(H){2|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	108.9840	0.000	1	108.7400	0.119	2	108.6380	1.137	93	108.3729	2.768	112	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	109.7910	0.000	1	109.7910	0.000	1	108.6380	1.137	93	108.3729	2.768	112	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	109.3780	0.000	1	109.6687	0.088	3	108.6380	1.137	93	108.3729	2.768	112	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	109.8140	0.221	2	109.6687	0.088	3	108.6380	1.137	93	108.3729	2.768	112	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]P[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H){1|P<4>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]P[6]H)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	109.3580	0.000	1	109.6770	0.204	2	108.6380	1.137	93	108.3729	2.768	112	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]P[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H){1|P<4>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]P[6]H)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	109.9960	0.000	1	109.6770	0.204	2	108.6380	1.137	93	108.3729	2.768	112	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]S[6]CH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]S[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|S<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.1360	0.000	1	107.1360	0.000	1	108.6380	1.137	93	108.3729	2.768	112	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]S[6]CH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)2(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]S[6]CH)(N[6]C[6]H)(H){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(H){1|S<4>,2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	113.0815	0.418	2	113.0815	0.175	2	108.6380	1.137	93	108.3729	2.768	112	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]S[6]CH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)2(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]N[6a])(C[6]S[6]CH)(N[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	N[6](C[6]C[6a]C[6]H)2(H){1|S<4>,2|H<1>,2|N<2>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.9260	0.253	4	107.9260	0.064	4	108.6380	1.137	93	108.3729	2.768	112	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:S[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]S[6]H)(H)	N[6](C[6]C[6a]C[6]H)(S[6]O[6]OO)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]S[6]H)(H){1|O<2>,2|C<3>,2|O<1>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(S[6]O[6]OO)(H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	109.0480	0.000	1	109.0480	0.000	1	109.0480	0.000	1	108.3729	2.768	112	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:1:	4:	C[6a]-3:P[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(P[6]O[6]HO)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]P[6]H)(H)	H(C[6]C[6a]N[6]P[6])	C[6](C[6a]C[6a]2)(P[6]O[6]HO)(N[6]C[6]H)(H){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]P[6]H)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6a]N[6]P[6])	109.2290	0.000	1	109.2290	0.000	1	109.2290	0.000	1	108.3729	2.768	112	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:2:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C-4:O[6]-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]O[6]C)(H)	N[6](C[6]C[6a]C[6]H)(CC[6a]HH)(O[6]C[6])	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]O[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(CC[6a]HH)(O[6]C[6]){1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	106.7820	1.834	2	106.7820	3.364	2	106.7820	3.364	2	107.7836	2.198	8	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:2:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]O)(H)	N[6](C[6]C[6a]C[6]H)2(OH)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]O)(H){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]H)2(OH){1|N<3>,4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	108.9550	0.151	2	108.9550	0.023	2	107.7444	1.293	5	107.7836	2.198	8	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:2:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]O)(H)	N[6](C[6]C[5a]C[6]H)(C[6]C[6a]C[6]H)(OH)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]O)(H){3|H<1>,4|C<3>}	N[6](C[6]C[5a]C[6]H)(C[6]C[6a]C[6]H)(OH){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.0390	0.451	2	106.9373	0.133	3	107.7444	1.293	5	107.7836	2.198	8	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:2:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]O)(H)	N[6](C[6]C[5a]C[6]H)(C[6]C[6a]C[6]H)(OH)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]O)(H){3|H<1>,4|C<3>}	N[6](C[6]C[5a]C[6]H)(C[6]C[6a]C[6]H)(OH){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	106.7340	0.000	1	106.9373	0.133	3	107.7444	1.293	5	107.7836	2.198	8	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:2:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:S-4:O[6]-2:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]O[6]S)(H)	N[6](C[6]C[6a]C[6]H)(SC[6a]OO)(O[6]C[6])	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]O[6]S)(H){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(SC[6a]OO)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	109.9830	0.000	1	109.9830	0.000	1	109.9830	0.000	1	107.7836	2.198	8	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CCC)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6]H)2(CCC){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.6800	0.042	2	107.6800	0.002	2	107.5450	1.153	8	107.8900	1.486	10	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CCO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(CCO){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	106.7040	0.000	1	106.9747	0.568	3	107.5450	1.153	8	107.8900	1.486	10	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CCO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6]H)2(CCO){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.1100	1.013	2	106.9747	0.568	3	107.5450	1.153	8	107.8900	1.486	10	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CCO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CCO){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6a]C[6]N[6])	108.9280	0.000	1	108.9280	0.000	1	107.5450	1.153	8	107.8900	1.486	10	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	108.9890	0.000	1	108.9890	0.000	1	107.5450	1.153	8	107.8900	1.486	10	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CCO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(CCO){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	106.1590	0.000	1	106.1590	0.000	1	107.5450	1.153	8	107.8900	1.486	10	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	N[6]-3:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(COO)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(COO)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(COO)(H){2|C<4>,3|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(COO){3|C<4>,5|H<1>}	H(C[6]C[6]N[6]C)	109.7940	0.000	1	109.7940	0.000	1	109.7940	0.000	1	107.8900	1.486	10	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:3:	4:	N[6]-3:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:N-3:	C[6]-4:	C[6](N[6]C[6,6]N)(C[6]C[6]HH)(COO)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(NCH)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6]N)(C[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(NCH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]C)	108.7460	0.000	1	108.7460	0.000	1	108.7460	0.000	1	107.8900	1.486	10	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HO)(N[6]C[6]S)(H)	N[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HO)(N[6]C[6]S)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[5a]C[6]N[6])	108.0000	0.000	1	108.0000	0.000	1	107.4468	0.155	4	107.7532	1.421	115	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]S)(H)	N[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]S)(H){2|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)(SC[6a]OO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[5a]C[6]N[6])	107.2710	0.240	2	107.2710	0.058	2	107.4468	0.155	4	107.7532	1.421	115	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[5a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]S)(H)	N[6](C[6]C[5a]C[6]H)(C[6]C[6a]C[6]H)(SC[6a]OO)	H(C[6]C[5a]C[6]N[6])	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(N[6]C[6]S)(H){1|O<2>,2|H<1>,4|C<3>}	N[6](C[6]C[5a]C[6]H)(C[6]C[6a]C[6]H)(SC[6a]OO){1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[5a]C[6]N[6])	107.2450	0.000	1	107.2450	0.000	1	107.4468	0.155	4	107.7532	1.421	115	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]O[5]H)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]C[5]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6a]C[5]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]O[5]H)(N[6]C[6]C)(H){2|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[6,6a]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[5]N[6])	107.1700	0.249	4	107.1700	0.062	4	107.1700	0.062	4	107.7532	1.421	115	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6]-4:S[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]F)(N[6]S[6]C)(H)	N[6](C[6]C[6,6a]C[5]H)(S[6]O[6]OO)(CH3)	H(C[6]C[6,6a]C[5]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]F)(N[6]S[6]C)(H){1|H<1>,1|N<3>,1|O<2>,3|O<1>,4|C<3>}	N[6](C[6]C[6,6a]C[5]H)(S[6]O[6]OO)(CH3){1|F<1>,4|C<3>}	H(C[6]C[6,6a]C[5]N[6])	104.9380	0.000	1	104.9380	0.000	1	104.9380	0.000	1	107.7532	1.421	115	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6a]C[6]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]C)(H){3|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(CH3){1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]N[6])	107.7810	0.557	2	107.7810	0.310	2	106.7390	3.413	3	107.7532	1.421	115	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6a]C[6]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(N[6]C[6]C)(H){2|C<3>,3|C<4>,7|H<1>}	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]N[6])	104.6550	0.000	1	104.6550	0.000	1	106.7390	3.413	3	107.7532	1.421	115	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(N[6]C[6]2)(H)	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)2	H(C[6]C[6,6a]C[6]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(N[6]C[6]2)(H){2|C<4>,2|O<2>,3|C<3>,5|H<1>}	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]N[6])	104.6380	0.000	1	104.6380	0.000	1	105.9080	3.226	2	107.7532	1.421	115	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(N[6]C[6]2)(H)	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)2	H(C[6]C[6,6a]C[6]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(N[6]C[6]2)(H){2|C<4>,5|C<3>,5|H<1>}	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)2{2|O<2>,3|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]N[6])	107.1780	0.000	1	107.1780	0.000	1	105.9080	3.226	2	107.7532	1.421	115	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6]-3:N[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]N[6])(N[6]C[6]ReH)(N[6]C[6]C)(H)	N[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]2)	C[6](C[6]C[6]N[6])(N[6]C[6]ReH)(N[6]C[6]C)(H){1|C<4>,2|C<3>,5|H<1>}	N[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(CC[6a]HH){1|Re<6>,1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]N[6]2)	106.7330	0.000	1	106.7330	0.000	1	106.7330	0.000	1	107.7532	1.421	115	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(CC[6a]HH)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(CC[6a]HH){3|C<4>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.4720	0.000	1	107.4720	0.000	1	108.1469	1.047	70	107.7532	1.421	115	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(CC[6a]HH)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(CC[6a]HH){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.2287	0.216	3	107.2287	0.046	3	108.1469	1.047	70	107.7532	1.421	115	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CC[6a]HH)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	N[6](C[6]C[6a]C[6]H)2(CC[6a]HH){2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.3400	0.000	1	107.4644	0.247	5	108.1469	1.047	70	107.7532	1.421	115	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CC[6a]HH)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	N[6](C[6]C[6a]C[6]H)2(CC[6a]HH){2|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.2455	0.100	4	107.4644	0.247	5	108.1469	1.047	70	107.7532	1.421	115	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CH3)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(CH3){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	108.1795	0.229	11	108.2175	0.071	15	108.1469	1.047	70	107.7532	1.421	115	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CH3)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(CH3){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	108.5505	0.366	2	108.2175	0.071	15	108.1469	1.047	70	107.7532	1.421	115	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CH3)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6]H)2(CH3){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.9170	0.000	1	108.2175	0.071	15	108.1469	1.047	70	107.7532	1.421	115	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CH3)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(CH3){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	108.2690	0.000	1	108.2175	0.071	15	108.1469	1.047	70	107.7532	1.421	115	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]FF)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]FF)(N[6]C[6]C)(H){1|C<4>,2|C<3>,2|F<1>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,2|F<1>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	108.6080	0.000	1	108.6080	0.000	1	108.1469	1.047	70	107.7532	1.421	115	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCHH)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCHH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	109.4640	0.000	1	109.4640	0.000	1	108.1469	1.047	70	107.7532	1.421	115	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CCHH)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	N[6](C[6]C[6a]C[6]H)2(CCHH){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	108.1695	0.195	4	108.1695	0.038	4	108.1469	1.047	70	107.7532	1.421	115	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CC[6a]HH)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	N[6](C[6]C[6a]C[6]H)2(CC[6a]HH){2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.1130	0.000	1	108.1130	0.000	1	108.1469	1.047	70	107.7532	1.421	115	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CH3)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(CH3){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	108.3820	0.200	11	108.3853	0.037	12	108.1469	1.047	70	107.7532	1.421	115	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CH3)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(CH3){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	108.4220	0.000	1	108.3853	0.037	12	108.1469	1.047	70	107.7532	1.421	115	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCCH)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]C)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCCH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	109.6943	0.156	3	109.6943	0.024	3	108.1469	1.047	70	107.7532	1.421	115	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]CH)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]C)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	109.6328	0.361	5	109.6328	0.130	5	108.1469	1.047	70	107.7532	1.421	115	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]C)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	109.7255	0.194	2	109.7255	0.038	2	108.1469	1.047	70	107.7532	1.421	115	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3){1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	109.0600	0.707	2	109.0600	0.500	2	108.1469	1.047	70	107.7532	1.421	115	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[5a]CH)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[5a]CH){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	108.6070	0.000	1	108.6070	0.000	1	108.1469	1.047	70	107.7532	1.421	115	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCCH)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H){3|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCCH){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	110.1070	0.000	1	110.1070	0.000	1	108.1469	1.047	70	107.7532	1.421	115	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]2H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]2H){1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	105.9510	0.109	2	105.9510	0.012	2	108.1469	1.047	70	107.7532	1.421	115	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HO)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[5a]HH)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]O[6]HO)(N[6]C[6]C)(H){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[5a]HH){2|C<3>,2|O<2>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.5270	0.000	1	107.5270	0.000	1	108.1469	1.047	70	107.7532	1.421	115	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CH3)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H){1|Br<1>,1|H<1>,1|O<2>,4|C<3>}	N[6](C[6]C[6a]C[6]H)2(CH3){1|H<1>,2|N<2>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.4540	0.000	1	106.8092	0.411	10	108.1469	1.047	70	107.7532	1.421	115	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CH3)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6]H)2(CH3){1|H<1>,2|N<2>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	106.5450	0.000	1	106.8092	0.411	10	108.1469	1.047	70	107.7532	1.421	115	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CH3)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H){1|O<2>,2|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]H)2(CH3){1|H<1>,2|N<2>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	106.7616	0.676	8	106.8092	0.411	10	108.1469	1.047	70	107.7532	1.421	115	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]2)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]2H)(C[6]C[6]HH)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]2)(H){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]2H)(C[6]C[6]HH){1|N<3>,2|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6a]C[6]N[6])	109.0750	0.000	1	109.0750	0.000	1	109.0750	0.000	1	107.7532	1.421	115	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO){3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.4040	0.000	1	107.4040	0.000	1	107.1059	1.332	25	107.7532	1.421	115	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]S)(H){1|C<4>,4|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|C<2>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	110.3190	0.000	1	110.3190	0.000	1	107.1059	1.332	25	107.7532	1.421	115	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(N[6]C[6]S)(H){1|C<4>,2|C<3>,6|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<2>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	105.9060	0.000	1	105.9060	0.000	1	107.1059	1.332	25	107.7532	1.421	115	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]2H)(SC[6a]OO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]2H)(SC[6a]OO){2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	106.2330	1.076	2	106.2330	1.158	2	107.1059	1.332	25	107.7532	1.421	115	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO){2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.3050	0.000	1	106.9444	0.263	5	107.1059	1.332	25	107.7532	1.421	115	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){2|C<3>,2|C<4>,5|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	106.3840	0.011	2	106.9444	0.263	5	107.1059	1.332	25	107.7532	1.421	115	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){2|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO){3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.3245	0.073	2	106.9444	0.263	5	107.1059	1.332	25	107.7532	1.421	115	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	108.4345	0.029	2	107.4699	1.086	10	107.1059	1.332	25	107.7532	1.421	115	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,1|S<2>,2|C<3>,5|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	106.9320	0.000	1	107.4699	1.086	10	107.1059	1.332	25	107.7532	1.421	115	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,2|C<3>,6|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	108.6840	0.000	1	107.4699	1.086	10	107.1059	1.332	25	107.7532	1.421	115	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,2|C<3>,6|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6a]C[6]N[6])	107.1500	0.000	1	107.4699	1.086	10	107.1059	1.332	25	107.7532	1.421	115	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,3|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	105.2590	0.000	1	107.4699	1.086	10	107.1059	1.332	25	107.7532	1.421	115	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,3|C<3>,5|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.2215	0.019	2	107.4699	1.086	10	107.1059	1.332	25	107.7532	1.421	115	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){2|C<3>,2|C<4>,5|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.6810	0.970	2	107.4699	1.086	10	107.1059	1.332	25	107.7532	1.421	115	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)2(SC[6a]OO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|O<2>,3|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]H)2(SC[6a]OO){2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	106.1908	0.760	4	106.1908	0.578	4	107.1059	1.332	25	107.7532	1.421	115	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]S)(H){2|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.3690	0.000	1	107.3690	0.000	1	107.1059	1.332	25	107.7532	1.421	115	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:S[6]-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]S[6]C)(H)	N[6](C[6]C[6a]C[6]H)(S[6]N[6]OO)(CH3)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]S[6]C)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(S[6]N[6]OO)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	108.6660	0.000	1	108.4773	0.603	3	108.4773	0.603	3	107.7532	1.421	115	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:S[6]-4:C-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]S[6]C)(H)	N[6](C[6]C[6a]C[6]H)(S[6]N[6]OO)(CH3)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]S[6]C)(H){1|N<3>,2|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(S[6]N[6]OO)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	108.3830	1.073	2	108.4773	0.603	3	108.4773	0.603	3	107.7532	1.421	115	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:3:1:	4:4:4:	4:	N[6]-3:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6,6]S)(C[6]O[6]HH)(CCC)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6]S)(C[6]O[6]HH)(CCC)(H){1|H<1>,2|C<4>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(SC[6a]OO){1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]N[6]C)	107.0050	0.000	1	107.0050	0.000	1	107.0050	0.000	1	107.7532	1.421	115	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:4:1:	3:4:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[5,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(CH3)(H)	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,2|N<3>}	N[6](C[5,6]N[5,6]N[5])(C[6]C[6]CH)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	109.2250	0.000	1	109.2250	0.000	1	109.2250	0.000	1	109.2250	0.000	1	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:4:1:	3:4:2:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:N[6]-2:	C[6]-4:	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(CC[6a]HH)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6])	H(C[6]C[6]N[6]C)	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(CC[6a]HH)(H){2|C<4>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	107.6810	0.000	1	107.6810	0.000	1	107.6810	0.000	1	107.6810	0.000	1	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:4:1:	3:4:4:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]HN)(CF3)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]S)(C[6]C[6]HN)(CF3)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	108.1910	0.074	2	108.1910	0.005	2	107.9557	0.169	3	107.9557	0.169	3	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:4:1:	3:4:4:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]S[6]CH)(CCHH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6a]S)(C[6]S[6]CH)(CCHH)(H){2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	107.4850	0.000	1	107.4850	0.000	1	107.9557	0.169	3	107.9557	0.169	3	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:4:1:	4:4:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[3x6]H)(C[6]O[6]HH)(CH3)(H)	N[6](C[3x6]C[3x6]2C[6])(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[3x6]H)(C[6]O[6]HH)(CH3)(H){3|C<4>}	N[6](C[3x6]C[3x6]2C[6])(C[6]C[6]CH)(H){1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6]N[6]C)	109.6410	0.000	1	109.6410	0.000	1	109.6410	0.000	1	108.8835	5.414	6	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:4:1:	4:4:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[5,5,3x6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[5,5,3x6]H)(C[6]C[6,6]CH)(CH3)(H)	N[6](C[5,5,3x6]C[5,6,6]N[5,3x6]O[5,5])(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[5,5,3x6]H)(C[6]C[6,6]CH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	N[6](C[5,5,3x6]C[5,6,6]N[5,3x6]O[5,5])(C[6]C[6]CH)(H){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6]N[6]C)	106.5630	0.000	1	106.5630	0.000	1	106.5630	0.000	1	108.8835	5.414	6	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:4:1:	4:4:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CH3)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H){1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]N[6]C)	109.5293	3.140	3	109.5293	9.859	3	109.2742	6.833	4	108.8835	5.414	6	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:4:1:	4:4:1:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CH3)(H)	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	108.5090	0.000	1	108.5090	0.000	1	109.2742	6.833	4	108.8835	5.414	6	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:4:1:	4:4:2:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O-2:	C[6]-4:	C[6](N[6]C[5,6]O)(C[6]C[6]HH)(CCHH)(H)	N[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)	H(C[6]C[6]N[6]C)	C[6](N[6]C[5,6]O)(C[6]C[6]HH)(CCHH)(H){2|H<1>,3|C<4>}	N[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH){4|C<4>,7|H<1>}	H(C[6]C[6]N[6]C)	107.1090	0.000	1	107.1090	0.000	1	107.1090	0.000	1	107.1090	0.000	1	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	3:4:4:1:	4:4:4:	4:	N[6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:S-4:	C[6]-4:	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(CCCH)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(SC[6a]OO){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]N[6]C)	107.7300	0.076	2	107.7300	0.006	2	107.7300	0.006	2	107.7300	0.006	2	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:2:3:1:	4:4:4:	4:	C[6,6]-4:O[6]-2:N[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(O[6]C[6,6a])(N[6]C[6]2)(H)	N[6](C[6]C[6,6]O[6]H)(C[6]C[6]HH)2	H(C[6]C[6,6]N[6]O[6])	C[6](C[6,6]C[6]2N[6])(O[6]C[6,6a])(N[6]C[6]2)(H){2|C<3>,4|C<4>,9|H<1>}	N[6](C[6]C[6,6]O[6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]N[6]O[6])	106.2465	0.938	2	106.2465	0.880	2	105.9520	0.411	4	105.9520	0.411	4	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:2:3:1:	4:4:4:	4:	C[6,6]-4:O[6]-2:N[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(O[6]C[6,6a])(N[6]C[6]2)(H)	N[6](C[6]C[6,6]O[6]H)(C[6]C[6]HH)2	H(C[6]C[6,6]N[6]O[6])	C[6](C[6,6]C[6]2O[6])(O[6]C[6,6a])(N[6]C[6]2)(H){2|C<3>,4|C<4>,8|H<1>}	N[6](C[6]C[6,6]O[6]H)(C[6]C[6]HH)2{1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]N[6]O[6])	105.6575	0.074	2	105.6575	0.006	2	105.9520	0.411	4	105.9520	0.411	4	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	2:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	Ge[6]-2:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(N[6]Ge[6]C)(H)2	N[6](Ge[6]C[5,6])(C[6]C[6]HH)(CC3)	H(C[6]C[6]N[6]H)	C[6](C[6]N[5,6]HH)(N[6]Ge[6]C)(H)2{2|C<3>}	N[6](Ge[6]C[5,6])(C[6]C[6]HH)(CC3){2|H<1>,2|N<3>}	H(C[6]C[6]N[6]H)	108.9530	0.118	3	108.9530	0.014	3	108.9530	0.014	3	108.9530	0.014	3	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{5|C<3>}	N[6](C[6]C[6,6a]C[5])(C[6a]C[6a]2)(C[6]C[6]HH){2|N<3>,4|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5790	0.013	2	109.5790	0.000	2	109.5790	0.000	2	109.5790	0.000	2	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(H)2	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(H)2{1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]HH)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(C[6]C[5,6]N[6]H)	109.2125	0.062	2	109.3465	0.025	4	109.4480	0.040	6	109.0118	2.744	8	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(H)2	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(H)2{1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]HH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	H(C[6]C[5,6]N[6]H)	109.4805	0.009	2	109.3465	0.025	4	109.4480	0.040	6	109.0118	2.744	8	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	3:4:1:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(H)2	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(H)2{1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]HH)(H){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	H(C[6]C[5,6]N[6]H)	109.6510	0.028	2	109.6510	0.001	2	109.4480	0.040	6	109.0118	2.744	8	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	3:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5,6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[5,6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]HH)(H){2|H<1>,2|N<3>}	H(C[6]C[6]N[6]H)	107.7030	3.800	2	107.7030	14.440	2	107.7030	14.440	2	109.0118	2.744	8	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[4,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6,6a]S)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]HH)(SC[6a]OO)	H(C[6]C[4,6]N[6]H)	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6,6a]S)(H)2{1|C<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[4,6]N[6]H)	109.1718	0.068	4	109.1718	0.005	4	109.1718	0.005	4	109.2344	0.663	94	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5a,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(N[6]C[5a,6]C)(H)2	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(CC[6a]HH)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5]2C[6])(N[6]C[5a,6]C)(H)2{1|N<3>,2|H<1>,2|O<1>,3|C<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(CC[6a]HH){1|C<4>,1|N<2>,4|C<3>}	H(C[6]C[5,6]N[6]H)	108.6535	0.016	2	108.6535	0.000	2	108.6535	0.000	2	109.2344	0.663	94	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]N[6]H)	109.5395	0.011	2	109.6529	0.015	11	109.6013	0.046	12	109.2344	0.663	94	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]N[6]H)	109.6781	0.122	9	109.6529	0.015	11	109.6013	0.046	12	109.2344	0.663	94	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6,6a]C)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6,6a]C)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5,6]N[6]H)	109.0340	0.000	1	109.0340	0.000	1	109.6013	0.046	12	109.2344	0.663	94	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]C)(N[6]C[6,6a]S)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,5,6]C[5]C)(N[6]C[6,6a]S)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[5,6]N[6]H)	109.5080	0.014	2	109.5080	0.000	2	109.3100	0.033	6	109.2344	0.663	94	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]S)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]S)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]N[6]H)	109.1060	0.027	2	109.1060	0.001	2	109.3100	0.033	6	109.2344	0.663	94	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]O[6])(N[6]C[6,6a]S)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SCOO)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6a]C[5]O[6])(N[6]C[6,6a]S)(H)2{1|N<3>,1|O<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(SCOO){1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[5,6]N[6]H)	109.3160	0.010	2	109.3160	0.000	2	109.3100	0.033	6	109.2344	0.663	94	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[4,6]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[4,6]S)(H)2	N[6](C[4,6]C[4,6,6]C[4])(C[6]C[6,6]HH)(SC[6a]OO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[4,6]S)(H)2{1|C<3>,2|C<4>,4|H<1>}	N[6](C[4,6]C[4,6,6]C[4])(C[6]C[6,6]HH)(SC[6a]OO){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]N[6]H)	108.9600	0.018	2	108.9600	0.000	2	108.9600	0.000	2	109.2344	0.663	94	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]S)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6]N[6]H)	108.8425	0.033	2	109.1043	0.090	6	109.1340	0.085	10	109.2344	0.663	94	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]S)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]S)(H)2{1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO){1|H<1>,5|C<3>}	H(C[6]C[6,6]N[6]H)	108.9880	0.004	2	109.1043	0.090	6	109.1340	0.085	10	109.2344	0.663	94	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]S)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]S)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6]N[6]H)	109.4825	0.008	2	109.1043	0.090	6	109.1340	0.085	10	109.2344	0.663	94	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]S)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]S)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]N[6]H)	109.1785	0.316	4	109.1785	0.100	4	109.1340	0.085	10	109.2344	0.663	94	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6,6a]C)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6,6a]C)(H)2{3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(CH3){3|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6050	0.024	2	109.6050	0.001	2	109.4042	0.054	4	109.2344	0.663	94	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(N[6]C[6,6a]C)(H)2	N[6](C[6,6a]C[6,6,6a]C[6a,6a])(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6,6]HH)(N[6]C[6,6a]C)(H)2{1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6,6a]C[6a,6a])(C[6]C[6]HH)(CH3){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.2035	0.022	2	109.2035	0.000	2	109.4042	0.054	4	109.2344	0.663	94	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6,6a]S)(H)2	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6,6a]S)(H)2{1|N<3>,3|C<3>}	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	108.5210	0.038	2	108.5210	0.001	2	109.3264	0.213	10	109.2344	0.663	94	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6,6a]S)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SCOO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6,6a]S)(H)2{4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SCOO){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5210	0.006	2	109.5210	0.000	2	109.3264	0.213	10	109.2344	0.663	94	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(N[6]C[6,6a]S)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5]C[6]H)(N[6]C[6,6a]S)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.6250	0.023	2	109.6250	0.001	2	109.3264	0.213	10	109.2344	0.663	94	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]S)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]S)(H)2{1|C<2>,1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.7400	0.028	2	109.7400	0.001	2	109.3264	0.213	10	109.2344	0.663	94	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]S)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]S)(H)2{4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO){1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.2250	0.020	2	109.2250	0.000	2	109.3264	0.213	10	109.2344	0.663	94	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,2|C<4>}	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCHH){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.3091	0.079	8	109.3091	0.006	8	109.5401	0.123	12	109.2344	0.663	94	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	109.9195	0.012	2	109.9195	0.000	2	109.5401	0.123	12	109.2344	0.663	94	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[3]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[3]HH){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	110.0845	0.005	2	110.0845	0.000	2	109.5401	0.123	12	109.2344	0.663	94	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]N[6])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[6](C[6]C[6,6a]N[6])(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6225	0.387	4	109.7264	0.053	11	109.3603	1.079	26	109.2344	0.663	94	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]N[6])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[6](C[6]C[6,6a]N[6])(C[6]C[6]HH)2{1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7857	0.045	7	109.7264	0.053	11	109.3603	1.079	26	109.2344	0.663	94	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]O[6])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	N[6](C[6]C[6]O[6])(C[6]C[6]HH)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	107.3660	1.411	4	107.3660	1.992	4	109.3603	1.079	26	109.2344	0.663	94	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.6284	0.491	7	109.6284	0.241	7	109.3603	1.079	26	109.2344	0.663	94	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]N[6])(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](C[6]C[6,6a]N[6])(C[6]C[6]HH)2{1|O<2>,1|S<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8790	0.138	4	109.8790	0.019	4	109.3603	1.079	26	109.2344	0.663	94	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	N[5a,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]C[6]H)(N[6]N[5a,6]C)(H)2	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]C[6]H)(N[6]N[5a,6]C)(H)2{1|H<1>,1|N<3>,4|C<3>}	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CCHH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(C[6]C[6]N[6]H)	106.1930	0.041	2	106.1930	0.002	2	106.1930	0.002	2	109.2344	0.663	94	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	O[5,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(N[6]O[5,6]C)(H)2	N[6](O[5,6]In[5,5,6,6]Ga[5])(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]N[5,6]HH)(N[6]O[5,6]C)(H)2{1|Ga<4>,1|In<5>,1|C<4>,1|O<2>}	N[6](O[5,6]In[5,5,6,6]Ga[5])(C[6]C[6]HH)(CH3){1|O<2>,1|O<3>,2|H<1>,2|N<4>,3|C<4>}	H(C[6]C[6]N[6]H)	107.8940	0.869	3	107.8940	0.755	3	107.8940	0.755	3	109.2344	0.663	94	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	3:4:4:	4:	N[6]-4:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6,6a]RuC)(N[6]C[6,6a]C)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP)	H(C[6]N[6]2H)	C[6](N[6]C[6,6a]RuC)(N[6]C[6,6a]C)(H)2{3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(CHHP){1|Ru<6>,1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[6]2H)	108.9040	0.000	1	108.9040	0.000	1	108.9040	0.000	1	109.2344	0.663	94	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:2:3:	4:	C[3,6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-3:	C[6]-4:	C[6](C[3,6]C[3,6,6]O[3]H)(N[6]O[6]C)(H)2	N[6](C[6]C[3,6]HH)(O[6]C[6,6])(COO)	H(C[6]C[3,6]N[6]H)	C[6](C[3,6]C[3,6,6]O[3]H)(N[6]O[6]C)(H)2{2|C<4>}	N[6](C[6]C[3,6]HH)(O[6]C[6,6])(COO){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[3,6]N[6]H)	109.9185	0.006	2	109.9185	0.000	2	109.9185	0.000	2	108.9937	0.737	10	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:2:3:	4:	C[4,6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-3:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(N[6]O[6]C)(H)2	N[6](C[6]C[4,6]HH)(O[6]C[6])(COO)	H(C[6]C[4,6]N[6]H)	C[6](C[4,6]C[4,6]C[4]H)(N[6]O[6]C)(H)2{1|H<1>,4|C<4>}	N[6](C[6]C[4,6]HH)(O[6]C[6])(COO){2|C<4>,3|H<1>}	H(C[6]C[4,6]N[6]H)	109.1970	0.013	2	109.1970	0.000	2	109.1970	0.000	2	108.9937	0.737	10	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:2:3:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(N[6]O[6]C)(H)2	N[6](C[6]C[6,6]HH)(O[6]C[6])(COO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]O)(N[6]O[6]C)(H)2{2|C<4>,2|H<1>,2|O<2>}	N[6](C[6]C[6,6]HH)(O[6]C[6])(COO){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]N[6]H)	107.5090	0.129	2	107.5090	0.017	2	107.5090	0.017	2	108.9937	0.737	10	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:2:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-2:P-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)(C[6]N[6])(PCC)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6])(PCC){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.0915	0.356	2	109.0915	0.127	2	109.0915	0.127	2	108.9937	0.737	10	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:2:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-3:	C[6]-4:	C[6](C[6]C[6,6]HO)(N[6]O[6]C)(H)2	N[6](C[6]C[6]HH)(O[6]C[6,6])(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HO)(N[6]O[6]C)(H)2{1|O<2>,2|C<4>}	N[6](C[6]C[6]HH)(O[6]C[6,6])(COO){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2525	0.367	2	109.2525	0.135	2	109.2525	0.135	2	108.9937	0.737	10	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:2:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(N[6]O[6]C)(H)2	N[6](C[6]C[5,6]HH)(O[6]C[5,6])(CH3)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]O[5]C)(N[6]O[6]C)(H)2{1|H<1>,1|O<2>,2|C<4>}	N[6](C[6]C[5,6]HH)(O[6]C[5,6])(CH3){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]N[6]H)	109.7025	0.013	4	109.7025	0.000	4	109.7025	0.000	4	109.4442	0.155	10	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:2:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:N[6]-2:C-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]N[6]C)(H)2	N[6](C[6]C[6]HH)(N[6]C[6])(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]O[6]H)(N[6]N[6]C)(H)2{3|C<3>}	N[6](C[6]C[6]HH)(N[6]C[6])(CCHH){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]N[6]H)	109.2120	0.950	2	109.2120	0.903	2	109.2120	0.903	2	109.4442	0.155	10	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:2:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]O[6]C)(H)2	N[6](C[6]C[6]HH)(O[6]Ga[6])(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]O[6]C)(H)2{1|Ga<4>,1|C<4>,1|O<2>}	N[6](C[6]C[6]HH)(O[6]Ga[6])(CH3){1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2150	0.045	2	109.2150	0.002	2	109.2150	0.002	2	109.4442	0.155	10	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:2:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:P[6]-2:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]P[6]C)(H)2	N[6](C[6]C[6]HH)(P[6]N[6])(CC3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]P[6]C)(H)2{1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)(P[6]N[6])(CC3){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3890	0.028	2	109.3890	0.001	2	109.3890	0.001	2	109.4442	0.155	10	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(COO){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.9135	0.346	2	108.9135	0.120	2	109.7117	0.889	4	109.7117	0.889	4	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:3:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]N)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|H<1>,2|N<3>}	N[6](C[6]C[6]HH)(C[6]N[6]N)(COO){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	110.5100	0.008	2	110.5100	0.000	2	109.7117	0.889	4	109.7117	0.889	4	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[3,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]2)(N[6]C[6]S)(H)2	N[6](C[6]C[3,6]HH)(C[6]C[6]H)(SC[6a]OO)	H(C[6]C[3,6]N[6]H)	C[6](C[3,6]C[3,6]C[3]2)(N[6]C[6]S)(H)2{1|C<3>,3|C<4>,4|H<1>}	N[6](C[6]C[3,6]HH)(C[6]C[6]H)(SC[6a]OO){1|H<1>,3|C<4>}	H(C[6]C[3,6]N[6]H)	109.0380	0.010	2	109.0380	0.000	2	109.2602	0.066	4	109.6653	0.575	116	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[3,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(N[6]C[6]S)(H)2	N[6](C[6]C[3,6]HH)(C[6]C[6]H)(SCOO)	H(C[6]C[3,6]N[6]H)	C[6](C[3,6]C[3,6]C[3]H)(N[6]C[6]S)(H)2{2|C<3>,3|H<1>}	N[6](C[6]C[3,6]HH)(C[6]C[6]H)(SCOO){2|C<4>,2|H<1>}	H(C[6]C[3,6]N[6]H)	109.4825	0.032	2	109.4825	0.001	2	109.2602	0.066	4	109.6653	0.575	116	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]N[6]N)(CC[6a]HH)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N[6](C[6]C[5,6]HH)(C[6]N[6]N)(CC[6a]HH){1|H<1>,3|C<4>}	H(C[6]C[5,6]N[6]H)	109.6420	0.008	2	109.6420	0.000	2	109.6420	0.000	2	109.6653	0.575	116	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[6a]N[5])(N[6]C[6a]C[6])(H)2	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[6a]N[5])(N[6]C[6a]C[6])(H)2{1|C<4>,2|N<3>,3|H<1>,5|C<3>}	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH){1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]N[6]H)	109.9210	0.014	2	109.9210	0.000	2	109.9467	0.002	3	109.6653	0.575	116	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[6a]C[5])(N[6]C[6a]C[6])(H)2	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]N[5,6]C[6a]C[5])(N[6]C[6a]C[6])(H)2{1|C<4>,1|N<3>,3|H<1>,6|C<3>}	N[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[5,6]N[6]H)	109.9980	0.000	1	109.9980	0.000	1	109.9467	0.002	3	109.6653	0.575	116	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6]2N[6])(N[6]C[6a]C[6])(H)2{1|S<4>,2|C<3>,3|C<4>,6|H<1>}	N[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,1|S<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]N[6]H)	106.7745	0.589	2	106.7745	0.347	2	106.7745	0.347	2	109.6653	0.575	116	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CCHH){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7475	0.039	2	109.7475	0.002	2	110.1045	0.921	20	109.6653	0.575	116	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,2|O<1>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|S<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5375	0.008	2	109.5375	0.000	2	110.1045	0.921	20	109.6653	0.575	116	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	112.7405	0.062	2	112.7405	0.004	2	110.1045	0.921	20	109.6653	0.575	116	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]H)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]H)(CCHH){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8095	0.060	2	109.8095	0.004	2	110.1045	0.921	20	109.6653	0.575	116	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]N)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<2>,1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]N)(CH3){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.9325	0.028	2	110.0098	0.054	10	110.1045	0.921	20	109.6653	0.575	116	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]N)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|H<1>,2|N<3>}	N[6](C[6]C[6]HH)(C[6]N[6]N)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	110.3505	0.006	2	110.0098	0.054	10	110.1045	0.921	20	109.6653	0.575	116	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]N)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|H<1>,2|N<3>}	N[6](C[6]C[6]HH)(C[6]N[6]N)(CH3){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.9220	0.199	6	110.0098	0.054	10	110.1045	0.921	20	109.6653	0.575	116	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]MoH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]MoH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|Mo<7>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.8810	0.000	1	108.8810	0.000	1	110.1045	0.921	20	109.6653	0.575	116	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,3|C<3>}	N[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]CH){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4420	0.000	1	109.4420	0.000	1	110.1045	0.921	20	109.6653	0.575	116	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]N[6])(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]N[6])(C[6]C[6]HH){1|C<4>,1|N<4>,4|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.6805	0.026	2	109.6805	0.001	2	109.6805	0.001	2	109.6653	0.575	116	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8465	0.004	2	109.8465	0.000	2	109.6649	0.257	21	109.6653	0.575	116	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|H<1>,2|C<3>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4955	0.139	4	109.5907	0.033	6	109.6649	0.257	21	109.6653	0.575	116	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7810	0.017	2	109.5907	0.033	6	109.6649	0.257	21	109.6653	0.575	116	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|S<4>,2|C<3>}	N[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO){1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.2665	0.028	2	109.2665	0.001	2	109.6649	0.257	21	109.6653	0.575	116	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6]H)	109.0703	0.980	3	109.7448	0.448	11	109.6649	0.257	21	109.6653	0.575	116	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]N[6]H)	109.9710	0.363	6	109.7448	0.448	11	109.6649	0.257	21	109.6653	0.575	116	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:S-4:	C[6]-4:	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(SC[6a]OO){1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]N[6]H)	110.0780	0.038	2	109.7448	0.448	11	109.6649	0.257	21	109.6653	0.575	116	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[5a,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	N[6](C[6]C[5a,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	108.4050	0.004	2	108.4050	0.000	2	109.6298	0.351	62	109.6653	0.575	116	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|C<2>,1|H<1>,4|C<3>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8287	0.045	4	109.4939	0.132	11	109.6298	0.351	62	109.6653	0.575	116	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.2975	0.447	4	109.4939	0.132	11	109.6298	0.351	62	109.6653	0.575	116	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|H<1>,5|C<3>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3093	0.077	3	109.4939	0.132	11	109.6298	0.351	62	109.6653	0.575	116	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|O<2>,4|H<1>,6|C<3>}	H(C[6]C[6]N[6]H)	109.3975	0.035	2	109.3180	0.015	4	109.6298	0.351	62	109.6653	0.575	116	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	H(C[6]C[6]N[6]H)	109.2385	0.136	2	109.3180	0.015	4	109.6298	0.351	62	109.6653	0.575	116	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]C[5a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[5a]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,4|H<1>,5|C<3>}	H(C[6]C[6]N[6]H)	109.5992	0.037	4	109.5992	0.001	4	109.6298	0.351	62	109.6653	0.575	116	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	N[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|F<1>,4|H<1>,5|C<3>}	H(C[6]C[6]N[6]H)	109.2305	0.009	2	109.0570	0.040	4	109.6298	0.351	62	109.6653	0.575	116	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	N[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,5|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	108.8835	0.023	2	109.0570	0.040	4	109.6298	0.351	62	109.6653	0.575	116	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|F<1>,3|H<1>,6|C<3>}	H(C[6]C[6]N[6]H)	110.0038	0.318	22	109.9012	0.370	33	109.6298	0.351	62	109.6653	0.575	116	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|F<1>,2|H<1>,6|C<3>}	H(C[6]C[6]N[6]H)	109.9898	0.072	4	109.9012	0.370	33	109.6298	0.351	62	109.6653	0.575	116	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	H(C[6]C[6]N[6]H)	109.5279	1.189	7	109.9012	0.370	33	109.6298	0.351	62	109.6653	0.575	116	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|H<1>,1|N<3>,4|C<3>}	N[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	109.0200	0.045	2	109.0200	0.002	2	109.6298	0.351	62	109.6653	0.575	116	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]HH)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[5a,6]HH)(N[6]C[6a]C[6])(H)2{2|H<1>,4|C<3>}	N[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5660	0.010	2	109.5660	0.000	2	109.6298	0.351	62	109.6653	0.575	116	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:S[6]-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[3x5,6]C[5,6,6]C[6])(N[6]S[6]H)(H)2	N[6](C[6]C[5,6,6]HH)(S[6]O[6]OO)(H)	H(C[6]C[5,6,6]N[6]H)	C[6](C[5,6,6]C[3x5,6]C[5,6,6]C[6])(N[6]S[6]H)(H)2{2|O<1>,2|O<2>,3|H<1>,4|C<4>}	N[6](C[6]C[5,6,6]HH)(S[6]O[6]OO)(H){3|C<4>}	H(C[6]C[5,6,6]N[6]H)	109.3635	0.009	2	109.3635	0.000	2	109.3635	0.000	2	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]H)(H)2	N[6](C[6]C[5,6]C[5a]H)(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]H)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N[6](C[6]C[5,6]C[5a]H)(C[6]C[5,6]HH)(H){1|O<2>,3|C<3>,3|C<4>}	H(C[6]C[5,6]N[6]H)	109.6680	0.023	2	109.6680	0.001	2	109.3814	0.112	8	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H)2{1|O<2>,2|H<1>,3|C<4>}	N[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]N[6]H)	108.9920	0.013	2	108.9920	0.000	2	109.3814	0.112	8	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H)2	N[6](C[6]N[5,6]C[6]H)(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<4>,3|H<1>}	N[6](C[6]N[5,6]C[6]H)(C[6]C[5,6]HH)(H){1|Cu<6>,1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[5,6]N[6]H)	109.1575	0.052	2	109.1575	0.003	2	109.3814	0.112	8	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]N[5,6]O[5]H)(N[6]C[6]H)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]N[5,6]O[5]H)(N[6]C[6]H)(H)2{1|C<3>,1|H<1>,3|C<4>}	N[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>}	H(C[6]C[5,6]N[6]H)	109.7080	0.030	2	109.7080	0.001	2	109.3814	0.112	8	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:Cl-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[5,6]Cl)(H)2	N[6](C[5,6]C[5,3x6]C[5,6,6]H)(C[6]C[6,6]HH)(Cl)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[5,6]Cl)(H)2{4|C<4>,4|H<1>}	N[6](C[5,6]C[5,3x6]C[5,6,6]H)(C[6]C[6,6]HH)(Cl){1|H<1>,7|C<4>}	H(C[6]C[6,6]N[6]H)	109.6940	0.018	2	109.6940	0.000	2	109.6940	0.000	2	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6,6]H)(H)2	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6,6]H)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6,6]HH)(H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]N[6]H)	109.0845	0.012	2	109.0845	0.000	2	109.1383	0.009	3	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6,6]H)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6,6]H)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]N[6]H)	109.2460	0.000	1	109.2460	0.000	1	109.1383	0.009	3	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]H)(H)2	N[6](C[6]C[6,6]HH)2(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<2>,5|H<1>}	N[6](C[6]C[6,6]HH)2(H){5|C<4>}	H(C[6]C[6,6]N[6]H)	107.6260	1.167	4	107.6260	1.362	4	108.5823	1.244	10	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]H)(H)2	N[6](C[6]C[6,6]HH)2(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]H)(H)2{2|C<3>,2|C<4>,6|H<1>}	N[6](C[6]C[6,6]HH)2(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6,6]N[6]H)	109.2335	0.054	2	109.2335	0.003	2	108.5823	1.244	10	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(N[6]C[6]H)(H)2	N[6](C[6]C[6,6]HH)2(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]N[6]H)(N[6]C[6]H)(H)2{3|C<4>,4|H<1>}	N[6](C[6]C[6,6]HH)2(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6,6]N[6]H)	109.7155	0.012	2	109.7155	0.000	2	108.5823	1.244	10	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(N[6]C[6]H)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6]2O[6])(N[6]C[6]H)(H)2{1|C<3>,3|C<4>,5|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]N[6]H)	108.7105	0.006	2	108.7105	0.000	2	108.5823	1.244	10	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(N[6]C[5,6]H)(H)2	N[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,5,6]HH)(N[6]C[5,6]H)(H)2{2|C<3>,3|C<4>}	N[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.2037	2.769	3	109.2037	7.668	3	108.7889	2.714	7	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]CH)(N[6]C[5,6]H)(H)2	N[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]CH)(N[6]C[5,6]H)(H)2{5|C<4>}	N[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6]N[6]H)	108.4778	0.126	4	108.4778	0.016	4	108.7889	2.714	7	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6]H)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6755	0.023	2	109.6755	0.001	2	109.7570	2.828	10	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5,6,6]HH)(N[6]C[6,6]H)(H)2	N[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[5,6,6]HH)(N[6]C[6,6]H)(H)2{1|Ge<3>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|N<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.9510	0.045	2	109.8757	0.009	4	109.7570	2.828	10	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[5,6,6]HH)(N[6]C[6,6]H)(H)2	N[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[5,6,6]HH)(N[6]C[6,6]H)(H)2{1|Ge<3>,1|C<3>,2|C<4>}	N[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	H(C[6]C[6]N[6]H)	109.8005	0.035	2	109.8757	0.009	4	109.7570	2.828	10	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6,6]HH)(N[6]C[6,6]H)(H)2	N[6](C[6,6]C[3x6]N[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6,6]HH)(N[6]C[6,6]H)(H)2{1|N<3>,3|C<4>}	N[6](C[6,6]C[3x6]N[6]C)(C[6]C[6]HH)(H){1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6790	2.906	4	109.6790	8.442	4	109.7570	2.828	10	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(C)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(C){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.2832	0.044	4	109.2832	0.002	4	109.2832	0.002	4	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[5,5,6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,5,6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|H<1>,3|C<4>}	N[6](C[6]C[5,5,6]CH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	109.9010	0.018	2	109.9010	0.000	2	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]C)(N[6]C[6]H)(H)2	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]C[6a]C)(N[6]C[6]H)(H)2{1|H<1>,5|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H){1|N<3>,5|C<3>}	H(C[6]C[6]N[6]H)	108.5300	0.018	4	108.5300	0.000	4	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2{2|C<3>,2|C<4>}	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	108.8415	0.054	2	108.8415	0.003	2	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[5a,6]C[5a]C)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2{1|C<4>,3|C<3>}	N[6](C[6]C[5a,6]C[5a]C)(C[6]C[6]HH)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.4005	0.052	2	109.4005	0.003	2	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2{1|H<1>,3|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.8575	0.025	2	109.8575	0.001	2	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2{1|C<4>,3|C<3>}	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8175	0.015	2	109.8175	0.000	2	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4597	0.022	3	109.4597	0.000	3	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2{1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H){2|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	109.2138	0.918	4	109.2138	0.842	4	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>}	N[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4520	0.006	2	109.4520	0.000	2	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]CC)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]CC)(H){1|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.3845	2.442	4	109.3845	5.962	4	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]H)(H)2	N[6](C[6]C[6a]2N[6])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(H)2{1|N<3>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]2N[6])(C[6]C[6]HH)(H){1|H<1>,2|C<3>,2|N<2>,3|C<4>}	H(C[6]C[6]N[6]H)	108.9445	0.492	4	108.9445	0.242	4	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]H)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,3|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,4|C<4>}	H(C[6]C[6]N[6]H)	108.7320	0.024	2	107.0552	4.540	6	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]H)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,3|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	106.2168	2.180	4	107.0552	4.540	6	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.9943	0.081	3	108.9943	0.006	3	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[5]N[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|N<4>,3|H<1>}	N[6](C[6]C[5]N[6]H)(C[6]C[6]HH)(H){1|Cu<5>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3170	1.741	2	109.3170	3.031	2	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|F<1>,3|H<1>}	H(C[6]C[6]N[6]H)	108.8905	0.009	2	109.4658	0.548	18	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5625	2.426	2	109.4658	0.548	18	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|F<1>,3|H<1>}	H(C[6]C[6]N[6]H)	109.8830	0.025	2	109.4658	0.548	18	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6680	0.092	2	109.4658	0.548	18	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4377	0.506	10	109.4658	0.548	18	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)2(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	107.7220	0.931	4	109.2082	0.633	97	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)2(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(H){1|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	108.7367	0.058	3	109.2082	0.633	97	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)2(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<4>,1|N<3>,3|H<1>}	N[6](C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6953	0.028	3	109.2082	0.633	97	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)2(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3580	0.381	5	109.2082	0.633	97	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)2(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	108.9603	1.112	29	109.2082	0.633	97	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)2(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|Cl<1>,1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	108.8775	0.141	15	109.2082	0.633	97	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)2(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6635	0.167	38	109.2082	0.633	97	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|N<4>,3|H<1>}	N[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H){1|Ni<6>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5540	0.040	2	109.5540	0.002	2	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6a]2N[6])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|N<3>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]2N[6])(C[6]C[6]HH)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.2503	0.573	3	109.3740	0.230	6	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6a]2N[6])(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|N<3>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]2N[6])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|N<2>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4977	0.447	3	109.3740	0.230	6	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	108.8050	0.038	2	109.2138	0.224	4	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6225	0.047	2	109.2138	0.224	4	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6a]N[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[6](C[6]C[6a]N[6]C)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4146	0.529	17	109.3674	0.234	21	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6a]N[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[6](C[6]C[6a]N[6]C)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.1668	0.033	4	109.3674	0.234	21	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,3|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	110.0115	0.045	2	110.0115	0.002	2	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(H)2{1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	H(C[6]C[6]N[6]H)	109.7707	1.998	4	109.7707	3.992	4	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]C)(N[6]C[6]H)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]O[6]C)(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.7422	0.077	4	109.7422	0.006	4	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2	N[6](C[6]C[5,5]O[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<4>}	N[6](C[6]C[5,5]O[6]H)(C[6]C[6]HH)(H){1|H<1>,1|N<3>,2|C<4>,2|O<2>}	H(C[6]C[6]N[6]H)	109.0675	0.023	2	109.0675	0.001	2	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2{1|H<1>,1|S<4>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6880	0.017	2	109.3888	0.120	4	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2{1|H<1>,3|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.0895	0.025	2	109.3888	0.120	4	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)2(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2{1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.3285	0.009	2	109.0258	0.122	4	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)2(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(H){1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.7230	0.010	2	109.0258	0.122	4	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6555	0.045	2	109.6555	0.002	2	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]H)	110.2835	0.009	2	109.8433	0.099	9	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4130	0.000	1	109.8433	0.099	9	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|H<1>,1|S<4>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.8530	0.027	2	109.8433	0.099	9	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5285	0.050	2	109.8433	0.099	9	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.9235	0.071	2	109.8433	0.099	9	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)2(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(H){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5480	0.356	67	109.2202	1.871	282	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)2(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(H){1|N<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8280	0.037	4	109.2202	1.871	282	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)2(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6865	0.016	2	109.2202	1.871	282	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)2(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(H){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	108.9927	1.880	133	109.2202	1.871	282	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)2(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(H){1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.9345	0.016	2	109.2202	1.871	282	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)2(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(H){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.2257	0.444	59	109.2202	1.871	282	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)2(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|Cd<5>,1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(H){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	108.9732	0.132	4	109.2202	1.871	282	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)2(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|Co<6>,2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(H){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	108.6635	0.224	4	109.2202	1.871	282	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)2(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|Zn<5>,1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(H){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7663	0.063	3	109.2202	1.871	282	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)2(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(H){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	110.9115	1.732	4	109.2202	1.871	282	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6935	0.019	2	109.8905	0.077	4	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	110.0875	0.275	2	109.8905	0.077	4	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6a]O[6]H)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)2(H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6a]O[6]H)(N[6]C[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3650	0.016	2	109.3650	0.000	2	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)2(H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CH)(N[6]C[6]H)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2155	0.015	2	109.2155	0.000	2	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(N[6]C[6]H)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.8130	0.000	1	109.8130	0.000	1	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[5a]C[6]C)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]H)(H)2{1|C<3>,2|C<4>}	N[6](C[6]C[5a]C[6]C)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.0700	0.030	4	109.0700	0.001	4	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	108.8850	0.010	2	108.8850	0.000	2	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)2(H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]H)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(H){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3821	0.389	45	109.3821	0.151	45	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)2(H)	H(C[6]C[6]N[6]H)	C[6](C[6]S[6]HH)(N[6]C[6]H)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(H){1|S<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4443	0.024	3	109.4443	0.001	3	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]S[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|S<4>,3|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	108.4970	0.041	2	108.4970	0.002	2	109.2494	1.265	568	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:P[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]P[6]H)(H)2	N[6](C[6]C[6]HH)(P[6]N[6]NO)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CC)(N[6]P[6]H)(H)2{1|O<1>,2|H<1>,2|N<3>}	N[6](C[6]C[6]HH)(P[6]N[6]NO)(H){1|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.1230	0.239	12	109.1230	0.057	12	109.2753	0.089	18	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:P[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]P[6]H)(H)2	N[6](C[6]C[6]HH)(P[6]N[6]NO)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]P[6]H)(H)2{1|O<1>,2|H<1>,2|N<3>}	N[6](C[6]C[6]HH)(P[6]N[6]NO)(H){1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4685	0.006	2	109.4685	0.000	2	109.2753	0.089	18	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:P[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]P[6]H)(H)2	N[6](C[6]C[6]HH)(P[6]O[6]CO)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]P[6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>}	N[6](C[6]C[6]HH)(P[6]O[6]CO)(H){1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5710	0.017	2	109.5710	0.000	2	109.2753	0.089	18	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:P[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]P[6]H)(H)2	N[6](C[6]C[6]HH)(P[6]O[6]NO)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]P[6]H)(H)2{1|N<3>,1|O<1>,1|O<2>,2|H<1>}	N[6](C[6]C[6]HH)(P[6]O[6]NO)(H){1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7000	0.045	2	109.7000	0.002	2	109.2753	0.089	18	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	S[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]CH)(N[6]S[6]H)(H)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]CH)(N[6]S[6]H)(H)2{2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	108.9875	0.018	2	108.9875	0.000	2	108.9925	0.024	6	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:1:	4:	C[6]-4:N[6]-3:H-1:H-1:	S[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(N[6]S[6]H)(H)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HN)(N[6]S[6]H)(H)2{2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]HH)(H){1|H<1>,1|N<4>,2|C<3>}	H(C[6]C[6]N[6]H)	108.9950	0.199	4	108.9950	0.040	4	108.9925	0.024	6	109.2432	1.228	638	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:2:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C-4:O[6]-2:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(N[6]O[6]C)(H)2	N[6](C[6]C[6,6]HH)(CC[6a]2H)(O[6]B[6])	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6]2O[6])(N[6]O[6]C)(H)2{1|B<3>,2|C<4>,4|H<1>}	N[6](C[6]C[6,6]HH)(CC[6a]2H)(O[6]B[6]){1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6,6]N[6]H)	109.7850	0.000	1	109.7850	0.000	1	109.7850	0.000	1	109.7114	0.172	81	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-2:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CN){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.9047	0.083	7	109.9047	0.007	7	109.8804	0.063	34	109.7114	0.172	81	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-2:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CN){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5035	0.033	4	109.5035	0.001	4	109.8804	0.063	34	109.7114	0.172	81	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-2:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CN){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.9386	0.250	23	109.9386	0.062	23	109.8804	0.063	34	109.7114	0.172	81	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)2(NC)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(NC){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5778	0.196	13	109.6191	0.035	17	109.6716	0.044	33	109.7114	0.172	81	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)2(NC)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(NC){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7533	0.066	4	109.6191	0.035	17	109.6716	0.044	33	109.7114	0.172	81	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-2:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)2(NC)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]N)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(NC){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7274	0.224	16	109.7274	0.050	16	109.6716	0.044	33	109.7114	0.172	81	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]O)(H)2	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]HH)(OC)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]O)(H)2{1|C<4>,3|C<3>}	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]HH)(OC){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	110.0350	0.000	1	108.8315	0.646	4	109.3644	0.642	13	109.7114	0.172	81	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]O)(H)2	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]HH)(OC)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]O)(H)2{1|C<4>,3|C<3>}	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]HH)(OC){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	108.4303	0.058	3	108.8315	0.646	4	109.3644	0.642	13	109.7114	0.172	81	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(H)2{1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OH){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	110.3070	1.657	2	110.3070	2.747	2	109.3644	0.642	13	109.7114	0.172	81	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:2:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]O)(H)2	N[6](C[6]C[6]HH)2(OC)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]O)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(OC){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3996	0.129	7	109.3996	0.017	7	109.3644	0.642	13	109.7114	0.172	81	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]O[5,5])(N[6]C[6]C)(H)2	N[6](C[6]C[5,5,6,6]HH)(C[6]C[5,6]HH)(COO)	H(C[6]C[5,5,6,6]N[6]H)	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]O[5,5])(N[6]C[6]C)(H)2{1|C<3>,4|C<4>,4|H<1>}	N[6](C[6]C[5,5,6,6]HH)(C[6]C[5,6]HH)(COO){1|C<3>,2|C<4>,2|O<2>}	H(C[6]C[5,5,6,6]N[6]H)	109.6750	0.000	1	109.6750	0.000	1	109.6750	0.000	1	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,5,6,6]O[5]C)(N[6]C[6]C)(H)2	N[6](C[6]C[5,5,6,6]HH)(C[6]C[5,6]HH)(COO)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,5,6,6]O[5]C)(N[6]C[6]C)(H)2{3|C<4>,3|H<1>}	N[6](C[6]C[5,5,6,6]HH)(C[6]C[5,6]HH)(COO){1|C<3>,2|C<4>,2|O<2>}	H(C[6]C[5,6]N[6]H)	108.8835	0.036	2	108.8835	0.001	2	108.8835	0.001	2	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[6a]C[6])(H)2	N[6](C[6]C[5,6]HH)2(C[6a]C[6a]2)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[6a]C[6])(H)2{1|C<4>,4|C<3>,4|H<1>}	N[6](C[6]C[5,6]HH)2(C[6a]C[6a]2){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[5,6]N[6]H)	109.0673	0.115	3	109.0673	0.013	3	109.0673	0.013	3	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[5,3x6]C[6]C)(N[6]C[5,5,6]C)(H)2	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,3x6]C[6]C)(N[6]C[5,5,6]C)(H)2{4|C<4>,4|H<1>}	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO){1|H<1>,7|C<4>}	H(C[6]C[6,6]N[6]H)	108.7125	0.043	2	108.7125	0.002	2	108.7125	0.002	2	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[3,6]C[6,6]H)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(COO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[3,6]C[6,6]H)(N[6]C[6,6]C)(H)2{3|H<1>,5|C<4>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(COO){4|C<4>,4|H<1>}	H(C[6]C[6,6]N[6]H)	108.7435	1.183	2	108.7435	1.399	2	108.7435	1.399	2	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|N<3>,2|C<4>,5|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO){2|C<4>,3|H<1>}	H(C[6]C[6,6]N[6]H)	109.2740	0.024	2	109.2740	0.001	2	109.2900	0.225	4	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]O[6])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6a]C[6]O[6])(N[6]C[6]C)(H)2{1|C<4>,3|C<3>,4|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]N[6]H)	109.3060	0.820	2	109.3060	0.673	2	109.2900	0.225	4	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[6a]C)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6,6]HH)(N[6]C[6]C)(H)2{1|H<1>,2|C<3>,2|C<4>}	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[6a]C){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.1410	0.038	2	109.1410	0.001	2	109.5498	0.296	309	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<4>,3|C<3>}	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(COO){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.1060	1.197	4	109.1060	1.433	4	109.5498	0.296	309	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(COO){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3080	0.004	2	109.3080	0.000	2	109.5498	0.296	309	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,1|O<2>,4|H<1>}	N[6](C[6]C[6]HH)2(COO){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.7635	0.101	2	109.7635	0.010	2	109.5498	0.296	309	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6915	0.039	2	109.6915	0.002	2	109.5498	0.296	309	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)2(COO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5198	0.142	5	109.5198	0.020	5	109.5498	0.296	309	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2{1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO){1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	110.0015	0.019	2	110.0015	0.000	2	109.5498	0.296	309	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	107.4930	1.011	2	107.4930	1.022	2	109.5498	0.296	309	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]CC)(C[6]C[6]HH)(COO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.2875	0.239	4	109.2875	0.057	4	109.5498	0.296	309	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.0890	0.034	2	109.0890	0.001	2	109.5498	0.296	309	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CNN)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CNN){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6765	0.152	4	109.6765	0.023	4	109.5498	0.296	309	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCN)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CCN){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6256	0.139	7	109.2073	1.851	15	109.5498	0.296	309	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCN)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CCN){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	108.8413	1.832	8	109.2073	1.851	15	109.5498	0.296	309	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]O){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5047	0.040	3	109.5047	0.002	3	109.5498	0.296	309	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CNN)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CNN){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4839	0.214	10	109.4839	0.046	10	109.5498	0.296	309	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CNS)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CNS){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3080	0.082	3	109.3080	0.007	3	109.5498	0.296	309	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN[6]N)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CN[6]N){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6716	0.134	12	109.6716	0.018	12	109.5498	0.296	309	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN[6]O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CN[6]O){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6217	0.054	6	109.6217	0.003	6	109.5498	0.296	309	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(COO){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.9130	0.866	4	108.9130	0.750	4	109.5498	0.296	309	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CTiC)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CTiC){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7026	0.120	7	109.7026	0.014	7	109.5498	0.296	309	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CZrC)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CZrC){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3878	0.176	14	109.4454	0.038	18	109.5498	0.296	309	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CZrC)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CZrC){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6470	0.098	4	109.4454	0.038	18	109.5498	0.296	309	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(COO){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.1645	0.006	2	109.1645	0.000	2	109.5498	0.296	309	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	108.9260	0.016	2	108.9260	0.000	2	109.5498	0.296	309	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2{3|C<3>,3|H<1>}	N[6](C[6]C[6]HH)2(CCO){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8040	0.027	2	109.8040	0.001	2	109.5498	0.296	309	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6]C[6]HH)2(COO){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.7110	1.236	2	108.7110	1.528	2	109.5498	0.296	309	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCC)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CCC){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6840	0.132	7	109.6840	0.017	7	109.5498	0.296	309	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCN)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CCN){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5093	0.176	4	109.5093	0.031	4	109.5498	0.296	309	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5a]N)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[5a]N){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7584	0.111	80	109.7544	0.012	87	109.5498	0.296	309	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5a]N)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CC[5a]N){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7091	0.100	7	109.7544	0.012	87	109.5498	0.296	309	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5a]O)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[5a]O){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5530	0.100	4	109.4997	0.009	7	109.5498	0.296	309	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5a]O)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[5a]O){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4287	0.013	3	109.4997	0.009	7	109.5498	0.296	309	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]N)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]N){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8370	0.000	1	109.6619	0.050	33	109.5498	0.296	309	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]N)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]N){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7140	0.167	14	109.6619	0.050	33	109.5498	0.296	309	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]N)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|N<2>,2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]N){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.2087	0.076	4	109.6619	0.050	33	109.5498	0.296	309	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]N)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]N){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7324	0.163	11	109.6619	0.050	33	109.5498	0.296	309	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]N)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]N){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7067	0.018	3	109.6619	0.050	33	109.5498	0.296	309	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CNN)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CNN){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3724	0.370	7	109.5028	0.117	11	109.5498	0.296	309	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CNN)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CNN){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7310	0.094	4	109.5028	0.117	11	109.5498	0.296	309	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CNO)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CNO){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4765	0.049	4	109.3831	0.015	7	109.5498	0.296	309	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CNO)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CNO){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.2587	0.040	3	109.3831	0.015	7	109.5498	0.296	309	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CNS)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CNS){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4620	0.098	2	109.4620	0.010	2	109.5498	0.296	309	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(COO)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(COO){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5557	0.181	3	109.5557	0.033	3	109.5498	0.296	309	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCN)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CCN){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6208	0.088	4	109.6208	0.008	4	109.5498	0.296	309	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]N)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]N){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	108.8029	1.773	8	108.8029	3.144	8	109.5498	0.296	309	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CNN)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CNN){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7061	0.279	8	109.7061	0.078	8	109.5498	0.296	309	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CNS)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CNS){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8251	0.056	7	109.8251	0.003	7	109.5498	0.296	309	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN[5a]N)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CN[5a]N){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7800	0.053	4	109.7800	0.003	4	109.5498	0.296	309	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(C[6]C[6]2)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|N<3>,2|C<3>,6|H<1>}	H(C[6]C[6]N[6]H)	109.4357	0.823	4	109.4357	0.678	4	109.6470	0.226	12	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(C[6]C[6]2)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(C[6]C[6]2){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	109.6180	0.036	4	109.6180	0.001	4	109.6470	0.226	12	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(C[6]N[6]2)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|H<1>,2|N<2>}	N[6](C[6]C[6]HH)2(C[6]N[6]2){1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8872	0.106	4	109.8872	0.011	4	109.6470	0.226	12	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[6,6]NN)(N[6]C[6]N)(H)2	N[6](C[6]N[6,6]HH)(C[6]C[6]HH)(NOO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]NN)(N[6]C[6]N)(H)2{1|N<2>,1|N<3>,2|H<1>}	N[6](C[6]N[6,6]HH)(C[6]C[6]HH)(NOO){1|C<3>,1|C<4>,2|N<3>}	H(C[6]C[6]N[6]H)	110.0915	0.036	2	110.0915	0.001	2	109.7400	0.632	75	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(NCH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(NCH){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	110.1785	0.011	2	110.1785	0.000	2	109.7400	0.632	75	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6]HH)(NCH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2{1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6]HH)(NCH){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	105.7555	2.071	2	105.7555	4.290	2	109.7400	0.632	75	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6]HH)(NHS)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2{1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6]HH)(NHS){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	110.0415	0.009	2	110.0415	0.000	2	109.7400	0.632	75	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(NCC)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2{1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(NCC){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3328	0.873	4	109.3328	0.762	4	109.7400	0.632	75	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(NCC)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2{1|H<1>,1|O<2>,2|C<3>}	N[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(NCC){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	110.4610	0.006	2	110.4610	0.000	2	109.7400	0.632	75	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]HH)(NHS)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2{1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]HH)(NHS){2|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	110.3580	0.006	2	110.3580	0.000	2	109.7400	0.632	75	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH){1|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.7145	0.030	2	109.7145	0.001	2	109.7400	0.632	75	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)2(NCH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(NCH){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7639	0.065	8	109.7639	0.004	8	109.7400	0.632	75	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)2(NC[6,6]Ga)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(NC[6,6]Ga){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.9853	0.078	4	109.9853	0.006	4	109.7400	0.632	75	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)2(NHP)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(NHP){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4577	0.044	3	109.4577	0.002	3	109.7400	0.632	75	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)2(NPtC)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(NPtC){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	110.1236	0.218	11	110.1236	0.048	11	109.7400	0.632	75	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)2(NRuH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(NRuH){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.2253	0.072	4	109.2253	0.005	4	109.7400	0.632	75	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[6]NN)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(NOO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]NN)(N[6]C[6]N)(H)2{1|N<3>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]HH)(NOO){1|C<4>,1|N<2>,2|N<3>}	H(C[6]C[6]N[6]H)	109.8277	0.178	3	109.8277	0.032	3	109.7400	0.632	75	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)2(NHH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]N)(H)2{1|C<4>,1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)2(NHH){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4910	0.021	2	109.4910	0.000	2	109.7400	0.632	75	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(NHH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2{1|H<1>,1|N<3>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(NHH){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4555	0.018	2	109.4555	0.000	2	109.7400	0.632	75	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)2(NHH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2{1|C<4>,1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)2(NHH){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5100	0.021	2	109.5100	0.000	2	109.7400	0.632	75	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)2(NHS)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(NHS){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.9540	0.127	4	109.9540	0.016	4	109.7400	0.632	75	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)2(NNO)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(NNO){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	110.0350	0.217	4	110.0350	0.047	4	109.7400	0.632	75	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)2(NCH)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]N)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(NCH){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8843	0.044	3	109.8843	0.002	3	109.7400	0.632	75	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)2(NCuC)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]N)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(NCuC){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8948	0.094	4	109.8948	0.009	4	109.7400	0.632	75	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)2(NHS)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]N)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(NHS){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.9000	0.080	3	109.9000	0.006	3	109.7400	0.632	75	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:P-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PC[6a]N)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(PC[6a]N){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4195	0.145	4	109.4195	0.021	4	109.4884	0.018	7	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:P-3:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(POO)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(POO){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5803	0.043	3	109.5803	0.002	3	109.4884	0.018	7	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:3:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(SC[6a]O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(SC[6a]O){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.0220	0.041	2	109.0220	0.002	2	109.0220	0.002	2	109.5664	0.360	419	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[3,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(N[6]C[6]C)(H)2	N[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CC[6a]CH)	H(C[6]C[3,6]N[6]H)	C[6](C[3,6]C[3,6]O[3]H)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CC[6a]CH){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[3,6]N[6]H)	107.4458	2.042	4	107.4458	4.171	4	107.4458	4.171	4	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[3,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[3,6]C[3,6,6]C[3,6]C[5a])(N[6]C[6]S)(H)2	N[6](C[6]C[3,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[3,6]N[6]H)	C[6](C[3,6]C[3,6,6]C[3,6]C[5a])(N[6]C[6]S)(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[3,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[3,6]N[6]H)	109.4633	0.097	4	109.4633	0.009	4	109.4315	0.005	10	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[3,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]C)(N[6]C[6]S)(H)2	N[6](C[6]C[3,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[3,6]N[6]H)	C[6](C[3,6]C[3,6]C[3]C)(N[6]C[6]S)(H)2{2|C<3>,4|H<1>}	N[6](C[6]C[3,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|O<1>,3|C<4>}	H(C[6]C[3,6]N[6]H)	109.4055	0.023	2	109.4055	0.001	2	109.4315	0.005	10	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[3,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(N[6]C[6]S)(H)2	N[6](C[6]C[3,6]HH)(C[6]C[6]2H)(SC[6a]OO)	H(C[6]C[3,6]N[6]H)	C[6](C[3,6]C[3,6]C[3]H)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[3,6]HH)(C[6]C[6]2H)(SC[6a]OO){4|C<4>,4|H<1>}	H(C[6]C[3,6]N[6]H)	109.3925	0.021	2	109.3925	0.000	2	109.4315	0.005	10	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[3,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(N[6]C[6]S)(H)2	N[6](C[6]C[3,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[3,6]N[6]H)	C[6](C[3,6]C[3,6]C[3]H)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,4|H<1>}	N[6](C[6]C[3,6]HH)(C[6]C[6]HH)(SC[6a]OO){2|H<1>,3|C<4>}	H(C[6]C[3,6]N[6]H)	109.4330	0.074	2	109.4330	0.005	2	109.4315	0.005	10	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[3x6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[3x6]C[4,3x6]C[6,6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[4,6,6]HH)(C[6]C[3x6]HH)(SC[6a]OO)	H(C[6]C[3x6]N[6]H)	C[6](C[3x6]C[4,3x6]C[6,6]H)(N[6]C[6]S)(H)2{3|C<4>,5|H<1>}	N[6](C[6]C[4,6,6]HH)(C[6]C[3x6]HH)(SC[6a]OO){1|H<1>,4|C<4>}	H(C[6]C[3x6]N[6]H)	110.0155	0.046	2	110.0155	0.002	2	110.0017	0.002	6	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[3x6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[3x6]HH)2(SC[6a]OO)	H(C[6]C[3x6]N[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,5|H<1>}	N[6](C[6]C[3x6]HH)2(SC[6a]OO){2|H<1>,3|C<4>}	H(C[6]C[3x6]N[6]H)	109.9947	0.053	4	109.9947	0.003	4	110.0017	0.002	6	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[4,6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[4,6,6]C[4,3x6]C[4,6,6]C)(N[6]C[6]S)(H)2	N[6](C[6]C[4,6,6]HH)(C[6]C[3x6]HH)(SC[6a]OO)	H(C[6]C[4,6,6]N[6]H)	C[6](C[4,6,6]C[4,3x6]C[4,6,6]C)(N[6]C[6]S)(H)2{3|C<4>,4|H<1>}	N[6](C[6]C[4,6,6]HH)(C[6]C[3x6]HH)(SC[6a]OO){1|H<1>,4|C<4>}	H(C[6]C[4,6,6]N[6]H)	108.8540	0.044	2	108.8540	0.002	2	108.8540	0.002	2	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[4,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6]S)(H)2	N[6](C[6]C[4,6]HH)(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[4,6]N[6]H)	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[4,6]HH)(C[6]C[6]CH)(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[4,6]N[6]H)	109.7613	0.351	12	109.8332	0.093	18	109.8205	0.084	20	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[4,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6]S)(H)2	N[6](C[6]C[4,6]HH)(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[4,6]N[6]H)	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[4,6]HH)(C[6]C[6]CH)(SC[6a]OO){1|H<1>,3|C<4>}	H(C[6]C[4,6]N[6]H)	109.8740	0.023	2	109.8332	0.093	18	109.8205	0.084	20	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[4,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6]S)(H)2	N[6](C[6]C[4,6]HH)(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[4,6]N[6]H)	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[4,6]HH)(C[6]C[6]CH)(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[4,6]N[6]H)	110.0285	0.027	4	109.8332	0.093	18	109.8205	0.084	20	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[4,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6]S)(H)2	N[6](C[6]C[4,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[4,6]N[6]H)	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6]S)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>}	N[6](C[6]C[4,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[4,6]N[6]H)	109.7060	0.045	2	109.7060	0.002	2	109.8205	0.084	20	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[4x6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(N[6]C[6]S)(H)2	N[6](C[6]C[4x6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[4x6]N[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(N[6]C[6]S)(H)2{1|C<3>,3|C<4>,6|H<1>}	N[6](C[6]C[4x6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[4x6]N[6]H)	109.4755	0.040	2	109.4755	0.002	2	109.4755	0.002	2	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2	N[6](C[6]C[5,5,6,6]HH)2(CC[6a]HH)	H(C[6]C[5,5,6,6]N[6]H)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2{1|C<3>,3|H<1>,4|C<4>}	N[6](C[6]C[5,5,6,6]HH)2(CC[6a]HH){1|C<4>,2|C<3>,2|O<2>}	H(C[6]C[5,5,6,6]N[6]H)	109.3430	0.213	4	109.3430	0.046	4	109.3430	0.046	4	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]S)(H)2	N[6](C[6]C[5,5,6,6]HH)2(SC[6a]OO)	H(C[6]C[5,5,6,6]N[6]H)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]S)(H)2{1|C<3>,3|C<4>,4|H<1>}	N[6](C[6]C[5,5,6,6]HH)2(SC[6a]OO){1|C<4>,2|C<3>,2|O<2>}	H(C[6]C[5,5,6,6]N[6]H)	109.7140	0.000	1	109.8161	0.049	9	110.0885	0.214	13	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]S)(H)2	N[6](C[6]C[5,5,6,6]HH)2(SC[6a]OO)	H(C[6]C[5,5,6,6]N[6]H)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]S)(H)2{1|C<3>,3|H<1>,4|C<4>}	N[6](C[6]C[5,5,6,6]HH)2(SC[6a]OO){1|C<4>,2|C<3>,2|O<2>}	H(C[6]C[5,5,6,6]N[6]H)	109.8289	0.233	8	109.8161	0.049	9	110.0885	0.214	13	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(N[6]C[6]S)(H)2	N[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[5,5,6,6]N[6]H)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(N[6]C[6]S)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[5,5,6,6]N[6]H)	110.7015	0.041	4	110.7015	0.002	4	110.0885	0.214	13	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(N[6]C[6]C)(H)2	N[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(CC[6a]HH)	H(C[6]C[5,5,6]N[6]H)	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	N[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(CC[6a]HH){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,5,6]N[6]H)	109.4765	0.026	2	109.4765	0.001	2	109.9384	0.188	11	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(N[6]C[6]C)(H)2	N[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(CH3)	H(C[6]C[5,5,6]N[6]H)	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	N[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(CH3){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,5,6]N[6]H)	110.2380	0.000	1	110.2479	0.002	7	109.9384	0.188	11	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(N[6]C[6]C)(H)2	N[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(CH3)	H(C[6]C[5,5,6]N[6]H)	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	N[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(CH3){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,5,6]N[6]H)	110.2495	0.048	6	110.2479	0.002	7	109.9384	0.188	11	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5,6a]N[5])(N[6]C[6]C)(H)2	N[6](C[6]C[5,5,6]HH)(C[6]C[6]CH)(CC[6a]HH)	H(C[6]C[5,5,6]N[6]H)	C[6](C[5,5,6]C[5,5,6]C[5,6a]N[5])(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>,5|C<3>}	N[6](C[6]C[5,5,6]HH)(C[6]C[6]CH)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,5,6]N[6]H)	109.3170	0.047	2	109.3170	0.002	2	109.9384	0.188	11	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]S)(H)2	N[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(SC[6]OO)	H(C[6]C[5,5,6]N[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]S)(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	N[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(SC[6]OO){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,5,6]N[6]H)	109.9470	0.358	2	109.9470	0.128	2	109.8563	0.089	3	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]S)(H)2	N[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[5,5,6]N[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]S)(H)2{1|N<3>,2|C<3>,2|C<4>,6|H<1>}	N[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,5,6]N[6]H)	109.6750	0.000	1	109.6750	0.000	1	109.8563	0.089	3	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(CC[6a]HH)	H(C[6]C[5,6,6]N[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,2|N<3>,3|H<1>}	N[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(CC[6a]HH){2|C<3>,3|C<4>}	H(C[6]C[5,6,6]N[6]H)	110.9235	1.404	2	110.9235	1.970	2	109.8027	1.603	7	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(N[6]C[6]C)(H)2	N[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)	H(C[6]C[5,6,6]N[6]H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(N[6]C[6]C)(H)2{2|C<3>,3|C<4>,6|H<1>}	N[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3){2|H<1>,3|C<4>}	H(C[6]C[5,6,6]N[6]H)	108.6730	0.000	1	108.6730	0.000	1	109.8027	1.603	7	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(N[6]C[6]C)(H)2	N[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(CC[6a]HH)	H(C[6]C[5,6,6]N[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(N[6]C[6]C)(H)2{1|O<2>,2|O<1>,3|C<4>,3|H<1>}	N[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(CC[6a]HH){2|C<3>,3|C<4>}	H(C[6]C[5,6,6]N[6]H)	110.0695	0.080	2	110.0695	0.006	2	109.8027	1.603	7	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(N[6]C[6]C)(H)2	N[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CCHH)	H(C[6]C[5,6,6]N[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,3|C<4>,6|H<1>}	N[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CCHH){2|H<1>,3|C<4>}	H(C[6]C[5,6,6]N[6]H)	108.9800	1.536	2	108.9800	2.359	2	109.8027	1.603	7	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[5,6,6]N[6]H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6]C[6]S)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6,6]N[6]H)	109.7395	0.015	2	109.7395	0.000	2	109.9427	0.361	4	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(N[6]C[6]S)(H)2	N[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[5,6,6]N[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(N[6]C[6]S)(H)2{1|N<3>,4|C<4>,6|H<1>}	N[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(SC[6a]OO){2|H<1>,3|C<4>}	H(C[6]C[5,6,6]N[6]H)	110.1460	0.957	2	110.1460	0.917	2	109.9427	0.361	4	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[4,6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[4,6]S)(H)2	N[6](C[4,6]C[4,6]C[4]H)(C[6]C[5,6]HH)(SC[6a]OO)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[4,6]S)(H)2{1|C<4>,3|C<3>,3|H<1>}	N[6](C[4,6]C[4,6]C[4]H)(C[6]C[5,6]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[5,6]N[6]H)	108.6825	0.019	2	108.6825	0.000	2	108.6825	0.000	2	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6a]H)(N[6]C[5,6]C)(H)2	N[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HH)(CH3)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(N[6]C[5,6]C)(H)2{1|C<4>,2|H<1>,4|C<3>}	N[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HH)(CH3){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[5,6]N[6]H)	109.5760	0.048	5	109.5760	0.002	5	109.5760	0.002	5	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6]C)(H)2{1|N<3>,3|C<4>,4|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH){2|C<4>,3|H<1>}	H(C[6]C[5,6]N[6]H)	109.1847	0.109	3	109.1847	0.012	3	109.7488	0.237	127	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(CC[6a]HH)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,5]C[5,6]H)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(CC[6a]HH){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,6]N[6]H)	109.2255	0.037	2	109.2255	0.001	2	109.7488	0.237	127	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(CH3)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,5]C[5,6]H)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(CH3){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,6]N[6]H)	109.4931	0.044	8	109.4931	0.002	8	109.7488	0.237	127	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)2(CH3)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,5]C[5,6]H)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[5,6]HH)2(CH3){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]N[6]H)	110.0835	0.566	8	110.0835	0.320	8	109.7488	0.237	127	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH){2|C<3>,2|C<4>}	H(C[6]C[5,6]N[6]H)	109.9572	0.190	6	109.9572	0.036	6	109.7488	0.237	127	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|C<4>}	H(C[6]C[5,6]N[6]H)	109.9093	0.201	4	109.9093	0.040	4	109.7488	0.237	127	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>}	H(C[6]C[5,6]N[6]H)	110.0252	0.179	47	109.9479	0.078	53	109.7488	0.237	127	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]N[6]H)	109.3423	0.158	6	109.9479	0.078	53	109.7488	0.237	127	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)2(CC[6a]HH)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[5,6]HH)2(CC[6a]HH){1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[5,6]N[6]H)	109.8742	0.266	5	109.8742	0.071	5	109.7488	0.237	127	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[6,6]C[5])(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,5]C[6,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,4|H<1>,5|C<4>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,6]N[6]H)	109.4510	0.021	2	109.4510	0.000	2	109.7488	0.237	127	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[4]N[5])(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[4]N[5])(N[6]C[6]C)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[5,6]N[6]H)	109.7855	0.019	2	109.7855	0.000	2	109.7488	0.237	127	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C[6])(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]C[6])(N[6]C[6]C)(H)2{1|O<1>,2|C<4>,3|C<3>,4|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]N[6]H)	108.1125	0.030	2	108.1125	0.001	2	109.7488	0.237	127	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[5,6]N[6]H)	109.8100	0.017	2	109.8100	0.000	2	109.7488	0.237	127	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{3|C<4>,5|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	H(C[6]C[5,6]N[6]H)	109.2240	0.010	2	109.2240	0.000	2	109.7488	0.237	127	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]O)(N[6]C[6]C)(H)2{2|C<4>,2|O<2>,4|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6]N[6]H)	109.4780	0.006	2	109.4780	0.000	2	109.7488	0.237	127	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<4>,3|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]N[6]H)	109.9870	1.506	2	109.9870	2.268	2	109.7488	0.237	127	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(H)2{1|O<2>,2|C<4>,3|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6]N[6]H)	110.6460	0.018	2	110.6460	0.000	2	109.7488	0.237	127	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]CH)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]CH){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]N[6]H)	109.5710	0.054	2	109.5710	0.003	2	109.7488	0.237	127	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>}	H(C[6]C[5,6]N[6]H)	109.9980	0.030	2	109.9980	0.001	2	109.7488	0.237	127	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)2(CC[6a]HH)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	N[6](C[6]C[5,6]HH)2(CC[6a]HH){1|C<3>,4|C<4>}	H(C[6]C[5,6]N[6]H)	109.6620	0.094	3	109.6620	0.009	3	109.7488	0.237	127	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)2(CH3)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	N[6](C[6]C[5,6]HH)2(CH3){1|C<3>,4|C<4>}	H(C[6]C[5,6]N[6]H)	109.0390	0.025	4	109.0390	0.001	4	109.7488	0.237	127	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CC[6a]HH)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]C)(H)2{1|N<3>,3|C<3>,5|H<1>}	N[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CC[6a]HH){1|C<3>,1|N<3>,2|C<4>}	H(C[6]C[5,6]N[6]H)	109.8165	0.006	2	109.8165	0.000	2	109.7488	0.237	127	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,1|O<1>,2|C<3>,3|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]N[6]H)	109.2565	0.008	2	109.2565	0.000	2	109.7488	0.237	127	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)2(CC[6a]HH)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,1|O<1>,2|C<3>,3|H<1>}	N[6](C[6]C[5,6]HH)2(CC[6a]HH){1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[5,6]N[6]H)	108.9982	0.440	6	108.9982	0.193	6	109.7488	0.237	127	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]CH)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]N[6]H)	110.0890	0.000	1	110.0890	0.000	1	109.7488	0.237	127	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6]S)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]N[6]H)	109.6360	0.245	6	109.6360	0.060	6	109.8758	0.129	44	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(SC[6a]OO)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6,6]C[5]C)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(SC[6a]OO){1|C<3>,3|C<4>}	H(C[6]C[5,6]N[6]H)	109.8845	0.026	2	109.8845	0.001	2	109.8758	0.129	44	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,3|C<4>}	H(C[6]C[5,6]N[6]H)	110.0370	0.000	1	110.1317	0.007	3	109.8758	0.129	44	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,3|C<4>}	H(C[6]C[5,6]N[6]H)	110.1790	0.017	2	110.1317	0.007	3	109.8758	0.129	44	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{1|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]CH)(SC[6a]OO){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5,6]N[6]H)	109.7520	0.023	2	109.7520	0.001	2	109.8758	0.129	44	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,5|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6]N[6]H)	109.8790	0.069	2	109.9978	0.135	14	109.8758	0.129	44	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]N[6]H)	110.4050	0.000	1	109.9978	0.135	14	109.8758	0.129	44	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6]N[6]H)	110.2802	0.040	4	109.9978	0.135	14	109.8758	0.129	44	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{1|O<2>,3|C<4>,4|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){2|C<4>,3|H<1>}	H(C[6]C[5,6]N[6]H)	110.0070	0.000	1	109.9978	0.135	14	109.8758	0.129	44	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{1|Si<4>,3|C<4>,4|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){2|C<4>,3|H<1>}	H(C[6]C[5,6]N[6]H)	109.2745	0.045	2	109.9978	0.135	14	109.8758	0.129	44	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{3|C<3>,4|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6]N[6]H)	110.3830	0.000	1	109.9978	0.135	14	109.8758	0.129	44	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{3|C<4>,5|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){2|C<4>,3|H<1>}	H(C[6]C[5,6]N[6]H)	109.9153	0.071	3	109.9978	0.135	14	109.8758	0.129	44	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6]S)(H)2{1|S<4>,3|C<4>,3|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]N[6]H)	109.9135	0.011	2	109.9135	0.000	2	109.8758	0.129	44	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]S)(H)2{2|H<1>,4|C<4>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]N[6]H)	109.3452	0.408	4	109.3452	0.166	4	109.8758	0.129	44	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]S)(H)2{1|C<4>,1|N<3>,2|C<3>,6|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){2|C<3>,2|C<4>}	H(C[6]C[5,6]N[6]H)	109.9060	0.114	6	109.9984	0.129	8	109.8758	0.129	44	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]S)(H)2{1|N<3>,1|O<1>,3|C<4>,5|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]N[6]H)	110.2755	0.795	2	109.9984	0.129	8	109.8758	0.129	44	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)2(SC[6a]OO)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]O[5,6]C[5]H)(N[6]C[6]S)(H)2{1|C<4>,1|O<2>,4|H<1>}	N[6](C[6]C[5,6]HH)2(SC[6a]OO){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6]N[6]H)	110.0360	0.031	2	110.0360	0.001	2	109.8758	0.129	44	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]C)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)2(SC[6a]OO)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]O[5,6]O[5]C)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[5,6]HH)2(SC[6a]OO){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6]N[6]H)	109.8140	0.000	1	109.8140	0.000	1	109.8758	0.129	44	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2	N[6](C[5,6,6]C[5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCHH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2{1|O<2>,3|H<1>,4|C<4>}	N[6](C[5,6,6]C[5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCHH){1|O<2>,7|C<4>}	H(C[6]C[6,6]N[6]H)	108.4950	0.006	2	108.4650	0.001	4	108.7850	0.110	37	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2	N[6](C[5,6,6]C[5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCHH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2{4|C<4>,4|H<1>}	N[6](C[5,6,6]C[5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCHH){1|O<2>,7|C<4>}	H(C[6]C[6,6]N[6]H)	108.4350	0.024	2	108.4650	0.001	4	108.7850	0.110	37	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2{1|O<2>,3|H<1>,4|C<4>}	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH){1|H<1>,7|C<4>}	H(C[6]C[6,6]N[6]H)	108.7888	0.480	13	108.7947	0.143	24	108.7850	0.110	37	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2{2|H<1>,2|O<2>,4|C<4>}	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH){1|H<1>,7|C<4>}	H(C[6]C[6,6]N[6]H)	108.7970	0.030	2	108.7947	0.143	24	108.7850	0.110	37	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2{4|C<4>,4|H<1>}	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH){1|H<1>,7|C<4>}	H(C[6]C[6,6]N[6]H)	108.8028	0.256	9	108.7947	0.143	24	108.7850	0.110	37	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CH3)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2{1|O<2>,3|H<1>,4|C<4>}	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CH3){1|H<1>,7|C<4>}	H(C[6]C[6,6]N[6]H)	109.0160	0.036	3	109.0160	0.001	3	108.7850	0.110	37	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[5,6,6]C)(H)2	N[6](C[5,6,6]C[5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCHH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[5,6,6]C)(H)2{4|C<4>,4|H<1>}	N[6](C[5,6,6]C[5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCHH){1|H<1>,1|O<2>,6|C<4>}	H(C[6]C[6,6]N[6]H)	108.7105	0.025	2	108.7105	0.001	2	108.7850	0.110	37	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]O)(N[6]C[5,6,6]C)(H)2	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6,6]C[6]O)(N[6]C[5,6,6]C)(H)2{4|C<4>,4|H<1>}	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH){1|H<1>,1|O<2>,6|C<4>}	H(C[6]C[6,6]N[6]H)	108.9110	0.059	4	108.9110	0.004	4	108.7850	0.110	37	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(N[6]C[5,6]C)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CC[6a]HH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6]2N[6])(N[6]C[5,6]C)(H)2{4|C<4>,6|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CC[6a]HH){1|N<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]N[6]H)	108.6665	0.016	2	108.6665	0.000	2	108.6665	0.000	2	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[3x6]N[6]H)(C[6]C[6,6]HH)(CC[6a]HH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(N[6]C[6,6]C)(H)2{1|C<4>,2|C<3>,2|N<3>,3|H<1>}	N[6](C[6,6]C[3x6]N[6]H)(C[6]C[6,6]HH)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	H(C[6]C[6,6]N[6]H)	109.3230	0.006	2	109.3230	0.000	2	109.3230	0.000	2	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(N[6]C[6,6]S)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(SC[6a]OO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[3x6]C[6]H)(N[6]C[6,6]S)(H)2{1|C<3>,3|H<1>,4|C<4>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(SC[6a]OO){1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]N[6]H)	109.4550	0.000	1	109.4550	0.000	1	109.4550	0.000	1	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(CC[6a]HH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,2|N<3>,3|H<1>}	N[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(CC[6a]HH){2|C<3>,3|C<4>}	H(C[6]C[6,6]N[6]H)	110.9225	2.251	2	110.9225	5.066	2	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CC[3]HH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]C)(H)2{1|N<4>,3|C<4>,4|H<1>}	N[6](C[6]C[6,6]HH)2(CC[3]HH){2|H<1>,3|C<4>}	H(C[6]C[6,6]N[6]H)	109.4447	0.170	3	109.4447	0.029	3	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CCHH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(N[6]C[6]C)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6]HH)2(CCHH){1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6]N[6]H)	108.3171	0.018	9	108.4789	0.499	11	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CCHH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(N[6]C[6]C)(H)2{1|N<2>,1|O<1>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6]HH)2(CCHH){1|Cl<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]N[6]H)	109.2070	1.921	2	108.4789	0.499	11	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6]HH)2(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]N[6]H)	109.4567	0.369	3	109.4130	0.058	6	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(N[6]C[6]C)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6]HH)2(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]N[6]H)	109.3693	0.054	3	109.4130	0.058	6	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CH3)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6]HH)2(CH3){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]N[6]H)	109.6788	0.149	4	109.6788	0.022	4	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6,6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5a,6]C[6,6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6](C[6]C[6,6]HH)2(CC[6a]HH){2|C<4>,3|C<3>}	H(C[6]C[6,6]N[6]H)	109.8713	0.250	7	109.7599	0.096	9	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6,6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5a,6]C[6,6]C)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6]HH)2(CC[6a]HH){2|C<3>,3|C<4>}	H(C[6]C[6,6]N[6]H)	109.3700	0.006	2	109.7599	0.096	9	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CH3)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]2H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[6](C[6]C[6,6]HH)2(CH3){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]N[6]H)	111.8600	2.796	2	111.8600	7.817	2	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CH3)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]2)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,3|C<3>,4|H<1>}	N[6](C[6]C[6,6]HH)2(CH3){2|C<3>,2|C<4>}	H(C[6]C[6,6]N[6]H)	109.6510	0.042	2	109.4640	0.106	3	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CH3)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]2)(N[6]C[6]C)(H)2{1|O<1>,1|O<2>,4|C<4>,4|H<1>}	N[6](C[6]C[6,6]HH)2(CH3){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]N[6]H)	109.0900	0.000	1	109.4640	0.106	3	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(CC[6a]HH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>,4|H<1>}	N[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(CC[6a]HH){2|C<3>,3|C<4>}	H(C[6]C[6,6]N[6]H)	109.0565	0.006	2	109.0565	0.000	2	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CCCH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	N[6](C[6]C[6,6]HH)2(CCCH){2|C<4>,3|C<3>}	H(C[6]C[6,6]N[6]H)	110.9880	1.275	4	110.9880	1.625	4	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CCHH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	N[6](C[6]C[6,6]HH)2(CCHH){2|C<4>,3|C<3>}	H(C[6]C[6,6]N[6]H)	109.9269	0.401	7	109.6424	1.306	11	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CCHH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	N[6](C[6]C[6,6]HH)2(CCHH){2|C<3>,3|C<4>}	H(C[6]C[6,6]N[6]H)	109.1445	1.874	4	109.6424	1.306	11	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	N[6](C[6]C[6,6]HH)2(CC[6a]HH){2|C<4>,3|C<3>}	H(C[6]C[6,6]N[6]H)	109.3474	0.151	9	109.4033	0.525	28	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N[6](C[6]C[6,6]HH)2(CC[6a]HH){2|C<4>,3|C<3>}	H(C[6]C[6,6]N[6]H)	109.5210	0.614	8	109.4033	0.525	28	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	N[6](C[6]C[6,6]HH)2(CC[6a]HH){2|C<3>,3|C<4>}	H(C[6]C[6,6]N[6]H)	109.7710	0.024	2	109.4033	0.525	28	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<2>,5|H<1>}	N[6](C[6]C[6,6]HH)2(CC[6a]HH){5|C<4>}	H(C[6]C[6,6]N[6]H)	108.8582	1.776	4	109.4033	0.525	28	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	N[6](C[6]C[6,6]HH)2(CC[6a]HH){2|C<3>,3|C<4>}	H(C[6]C[6,6]N[6]H)	109.7325	0.018	2	109.4033	0.525	28	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|O<2>,3|C<4>,4|H<1>}	N[6](C[6]C[6,6]HH)2(CC[6a]HH){2|C<3>,3|C<4>}	H(C[6]C[6,6]N[6]H)	109.3580	0.000	1	109.4033	0.525	28	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>,2|O<1>}	N[6](C[6]C[6,6]HH)2(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]N[6]H)	109.5995	0.018	2	109.4033	0.525	28	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CH3)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	N[6](C[6]C[6,6]HH)2(CH3){2|C<4>,3|C<3>}	H(C[6]C[6,6]N[6]H)	110.1423	1.437	18	109.8412	1.703	38	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CH3)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	N[6](C[6]C[6,6]HH)2(CH3){2|C<3>,3|C<4>}	H(C[6]C[6,6]N[6]H)	109.8766	1.658	8	109.8412	1.703	38	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CH3)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,1|P<4>,3|H<1>}	N[6](C[6]C[6,6]HH)2(CH3){2|C<4>,3|C<3>}	H(C[6]C[6,6]N[6]H)	109.3425	0.467	4	109.8412	1.703	38	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CH3)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{2|C<4>,6|H<1>}	N[6](C[6]C[6,6]HH)2(CH3){2|C<3>,3|C<4>}	H(C[6]C[6,6]N[6]H)	109.3160	1.098	4	109.8412	1.703	38	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CH3)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{2|C<4>,6|H<1>}	N[6](C[6]C[6,6]HH)2(CH3){5|C<4>}	H(C[6]C[6,6]N[6]H)	109.4395	0.054	4	109.8412	1.703	38	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]Cl)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CCHH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]Cl)(N[6]C[6]C)(H)2{1|O<1>,3|C<4>,3|H<1>}	N[6](C[6]C[6,6]HH)2(CCHH){1|Cl<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]N[6]H)	109.7300	0.468	2	109.7300	0.219	2	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CH3)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|N<4>,2|C<4>,5|H<1>}	N[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CH3){2|H<1>,3|C<4>}	H(C[6]C[6,6]N[6]H)	109.3330	0.241	3	109.3330	0.058	3	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCHH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,3|C<4>,4|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCHH){2|C<4>,3|H<1>}	H(C[6]C[6,6]N[6]H)	108.9657	0.064	4	108.9657	0.004	4	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CCHH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	N[6](C[6]C[6,6]HH)2(CCHH){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]N[6]H)	109.5842	0.059	4	109.4138	0.044	12	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CCHH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,6|H<1>}	N[6](C[6]C[6,6]HH)2(CCHH){2|H<1>,3|C<4>}	H(C[6]C[6,6]N[6]H)	109.1513	0.078	4	109.4138	0.044	12	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CCHH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<4>,6|H<1>}	N[6](C[6]C[6,6]HH)2(CCHH){2|H<1>,3|C<4>}	H(C[6]C[6,6]N[6]H)	109.5060	0.089	4	109.4138	0.044	12	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]2H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,6|H<1>}	N[6](C[6]C[6,6]HH)2(CC[6a]2H){2|H<1>,3|C<4>}	H(C[6]C[6,6]N[6]H)	109.0525	0.186	6	109.0525	0.035	6	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<2>,1|C<4>,1|S<2>,5|H<1>}	N[6](C[6]C[6,6]HH)2(CC[6a]HH){2|H<1>,3|C<4>}	H(C[6]C[6,6]N[6]H)	108.9112	0.143	4	109.3773	1.573	30	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N[6](C[6]C[6,6]HH)2(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]N[6]H)	109.3033	0.353	4	109.3773	1.573	30	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|S<4>,5|H<1>}	N[6](C[6]C[6,6]HH)2(CC[6a]HH){2|H<1>,3|C<4>}	H(C[6]C[6,6]N[6]H)	109.7573	0.150	3	109.3773	1.573	30	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,1|S<4>,5|H<1>}	N[6](C[6]C[6,6]HH)2(CC[6a]HH){2|H<1>,3|C<4>}	H(C[6]C[6,6]N[6]H)	109.8710	0.172	4	109.3773	1.573	30	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|S<3>,6|H<1>}	N[6](C[6]C[6,6]HH)2(CC[6a]HH){2|H<1>,3|C<4>}	H(C[6]C[6,6]N[6]H)	109.4623	3.740	4	109.3773	1.573	30	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|N<3>,2|C<4>,5|H<1>}	N[6](C[6]C[6,6]HH)2(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]N[6]H)	109.2155	0.032	2	109.3773	1.573	30	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|O<1>,3|C<4>,3|H<1>}	N[6](C[6]C[6,6]HH)2(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]N[6]H)	109.5220	0.024	2	109.3773	1.573	30	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|O<2>,1|S<4>,2|C<4>,4|H<1>}	N[6](C[6]C[6,6]HH)2(CC[6a]HH){2|H<1>,3|C<4>}	H(C[6]C[6,6]N[6]H)	109.4690	0.108	3	109.3773	1.573	30	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6,6]HH)2(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]N[6]H)	108.9938	0.102	4	109.3773	1.573	30	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CH3)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N[6](C[6]C[6,6]HH)2(CH3){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]N[6]H)	109.4878	0.055	4	109.6729	1.044	12	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CH3)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,6|H<1>}	N[6](C[6]C[6,6]HH)2(CH3){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]N[6]H)	110.8030	2.827	2	109.6729	1.044	12	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CH3)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,6|H<1>}	N[6](C[6]C[6,6]HH)2(CH3){2|H<1>,3|C<4>}	H(C[6]C[6,6]N[6]H)	109.6525	0.026	2	109.6729	1.044	12	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CH3)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|N<3>,2|C<4>,5|H<1>}	N[6](C[6]C[6,6]HH)2(CH3){2|H<1>,3|C<4>}	H(C[6]C[6,6]N[6]H)	109.0595	0.067	2	109.6729	1.044	12	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CH3)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|O<2>,3|C<4>,4|H<1>}	N[6](C[6]C[6,6]HH)2(CH3){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]N[6]H)	109.5470	0.020	2	109.6729	1.044	12	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]N)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CH3)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]N)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	N[6](C[6]C[6,6]HH)2(CH3){1|C<4>,2|C<3>,2|N<3>}	H(C[6]C[6,6]N[6]H)	110.3157	0.075	4	110.0956	0.062	8	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]N)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CH3)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]N)(N[6]C[6]C)(H)2{1|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[6,6]HH)2(CH3){1|C<4>,2|C<3>,2|N<3>}	H(C[6]C[6,6]N[6]H)	109.8755	0.098	4	110.0956	0.062	8	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CCHH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]O)(N[6]C[6]C)(H)2{1|C<3>,3|C<4>,3|H<1>}	N[6](C[6]C[6,6]HH)2(CCHH){1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6]N[6]H)	108.1279	0.153	9	108.1279	0.023	9	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CC3)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	N[6](C[6]C[6,6]HH)2(CC3){2|C<4>,3|C<3>}	H(C[6]C[6,6]N[6]H)	111.4627	1.522	4	111.4627	2.317	4	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]CH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	N[6](C[6]C[6,6]HH)2(CC[6a]CH){2|C<4>,3|C<3>}	H(C[6]C[6,6]N[6]H)	110.6734	2.609	8	110.6734	6.809	8	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CH3)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	N[6](C[6]C[6,6]HH)2(CH3){2|C<4>,3|C<3>}	H(C[6]C[6,6]N[6]H)	108.9510	1.541	4	108.9510	2.376	4	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]O[6]H)(N[6]C[6]C)(H)2{1|N<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6,6]N[6]H)	109.8085	0.042	2	109.8085	0.002	2	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)2(CC[6a]HH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	N[6](C[6]C[6,6]HH)2(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]N[6]H)	109.9750	0.006	2	109.9750	0.000	2	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC[5]HH)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC[5]HH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6,6]N[6]H)	109.8535	0.039	2	109.8535	0.002	2	109.5767	1.421	231	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]HH)2(C[6]C[6]2H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]2)(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	N[6](C[6]C[6,6]HH)2(C[6]C[6]2H){3|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]N[6]H)	109.2760	0.179	4	109.2760	0.032	4	109.2760	0.032	4	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(SC[6a]OO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]S)(H)2{1|N<3>,3|C<3>,4|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]N[6]H)	109.6920	0.105	2	109.6920	0.011	2	109.8638	0.056	45	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]O)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(SC[6a]OO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6,6]C[6]O)(N[6]C[6]S)(H)2{1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(SC[6a]OO){1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6,6]N[6]H)	110.0095	0.028	2	110.0152	0.000	4	109.8638	0.056	45	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]O)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(SC[6a]OO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6,6]C[6]O)(N[6]C[6]S)(H)2{1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(SC[6a]OO){1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6,6]N[6]H)	110.0210	0.011	2	110.0152	0.000	4	109.8638	0.056	45	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]HH)2(SC[6a]OO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]S)(H)2{1|Br<1>,2|C<4>,5|H<1>}	N[6](C[6]C[6,6]HH)2(SC[6a]OO){1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6,6]N[6]H)	109.4720	0.061	2	109.5163	0.008	3	109.8638	0.056	45	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]HH)2(SC[6a]OO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,6|H<1>}	N[6](C[6]C[6,6]HH)2(SC[6a]OO){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]N[6]H)	109.6050	0.000	1	109.5163	0.008	3	109.8638	0.056	45	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6]N[6]H)	110.2215	0.011	2	110.0172	0.031	12	109.8638	0.056	45	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2{1|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6]N[6]H)	110.0272	0.030	4	110.0172	0.031	12	109.8638	0.056	45	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]N[6]H)	110.0745	0.005	2	110.0172	0.031	12	109.8638	0.056	45	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2{1|O<2>,3|C<4>,4|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO){2|C<4>,3|H<1>}	H(C[6]C[6,6]N[6]H)	109.6725	0.008	2	110.0172	0.031	12	109.8638	0.056	45	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]N[6]H)	110.0800	0.011	2	110.0172	0.031	12	109.8638	0.056	45	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]HH)2(SC[6a]OO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6]C[6,6]HH)2(SC[6a]OO){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]N[6]H)	110.0220	0.000	1	110.0220	0.000	1	109.8638	0.056	45	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6a]O[6])(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]HH)2(SC[6a]OO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6a]O[6])(N[6]C[6]S)(H)2{1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6,6]HH)2(SC[6a]OO){1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6,6]N[6]H)	109.5915	0.015	2	109.5915	0.000	2	109.8638	0.056	45	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6a]Si[6])(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]HH)2(SC[6a]OO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6a]Si[6])(N[6]C[6]S)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	N[6](C[6]C[6,6]HH)2(SC[6a]OO){2|Si<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6,6]N[6]H)	109.2630	0.000	1	109.2630	0.000	1	109.8638	0.056	45	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6]C[6,6]Si[6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]HH)2(SC[6a]OO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]Si[6]H)(N[6]C[6]S)(H)2{1|O<2>,3|C<4>,4|H<1>}	N[6](C[6]C[6,6]HH)2(SC[6a]OO){2|Si<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6,6]N[6]H)	109.9510	0.018	2	109.8577	0.020	6	109.8638	0.056	45	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6]C[6,6]Si[6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]HH)2(SC[6a]OO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]Si[6]H)(N[6]C[6]S)(H)2{1|O<2>,3|C<4>,4|H<1>}	N[6](C[6]C[6,6]HH)2(SC[6a]OO){2|Si<4>,1|C<4>,2|H<1>}	H(C[6]C[6,6]N[6]H)	109.8110	0.157	4	109.8577	0.020	6	109.8638	0.056	45	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]2)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(SC[6a]OO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6a]C[6]2)(N[6]C[6]S)(H)2{1|C<4>,3|C<3>,6|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(SC[6a]OO){2|C<3>,2|C<4>}	H(C[6]C[6,6]N[6]H)	109.5260	0.000	1	109.6532	0.011	4	109.8638	0.056	45	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]2)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(SC[6a]OO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6a]C[6]2)(N[6]C[6]S)(H)2{2|C<3>,2|C<4>,6|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(SC[6a]OO){2|C<3>,2|C<4>}	H(C[6]C[6,6]N[6]H)	109.6957	0.071	3	109.6532	0.011	4	109.8638	0.056	45	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6]2O[6])(N[6]C[6]S)(H)2{3|C<4>,6|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]N[6]H)	110.1315	0.022	2	110.1430	0.001	3	109.8638	0.056	45	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6]2O[6])(N[6]C[6]S)(H)2{3|C<4>,6|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]N[6]H)	110.1660	0.000	1	110.1430	0.001	3	109.8638	0.056	45	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6]C[6]3)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6]3)(N[6]C[6]S)(H)2{4|C<4>,7|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(SC[6a]OO){1|H<1>,4|C<4>}	H(C[6]C[6,6]N[6]H)	110.0940	0.008	2	110.0940	0.000	2	109.8638	0.056	45	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6]C[6]3)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6]3)(N[6]C[6]S)(H)2{1|C<4>,3|C<3>,5|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6]N[6]H)	109.9140	0.000	2	109.9140	0.000	2	109.8638	0.056	45	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]HH)2(SCOO)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]S)(H)2{1|C<4>,1|N<3>,1|S<4>,4|H<1>}	N[6](C[6]C[6,6]HH)2(SCOO){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]N[6]H)	109.6667	0.042	3	109.6667	0.002	3	109.8638	0.056	45	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	B[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]B[6]C)(H)2	N[6](B[6]C[6]HH)(C[6]C[6]HH)(CC3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]B[6]C)(H)2{1|C<4>,4|H<1>}	N[6](B[6]C[6]HH)(C[6]C[6]HH)(CC3){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	112.1335	1.930	2	112.1335	3.724	2	112.1335	3.724	2	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](CC[6a]N[6]H)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](CC[6a]N[6]H)(C[6]C[6]HH)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5791	0.079	8	109.5791	0.006	8	109.6555	0.394	62	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](CC[5,6,6]HH)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](CC[5,6,6]HH)(C[6]C[6]HH)2{1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5391	0.172	15	109.5391	0.030	15	109.6555	0.394	62	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](CC[5a]C[6a]2)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](CC[5a]C[6a]2)(C[6]C[6]HH)2{1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8418	0.118	4	109.8418	0.014	4	109.6555	0.394	62	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](CC[5a]C[6a]H)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](CC[5a]C[6a]H)(C[6]C[6]HH)2{1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7308	0.022	4	109.7308	0.001	4	109.6555	0.394	62	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](CC[6a]C[6]H)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](CC[6a]C[6]H)(C[6]C[6]HH)2{1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7258	2.657	4	109.7258	7.061	4	109.6555	0.394	62	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](CC[6a]N[6]H)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](CC[6a]N[6]H)(C[6]C[6]HH)2{1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7842	0.159	23	109.7842	0.025	23	109.6555	0.394	62	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]Se[6]HH)(N[6]C[6]C)(H)2	N[6](CC[6a]N[5]H)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](C[6]Se[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](CC[6a]N[5]H)(C[6]C[6]HH)2{1|Se<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.1723	0.112	4	109.1723	0.013	4	109.6555	0.394	62	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6,6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(N[6]C[5,6,6]S)(H)2	N[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6,6]HH)(N[6]C[5,6,6]S)(H)2{1|O<2>,2|C<4>,2|H<1>}	N[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]HH)(SC[6a]OO){3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.3205	1.293	2	109.3205	1.673	2	109.3205	1.673	2	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[5,6]S)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[5,6]S)(H)2{2|H<1>,3|C<4>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(SC[6a]OO){1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	109.5005	0.026	2	109.5005	0.001	2	109.7487	0.157	6	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(N[6]C[5,6]S)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HO)(N[6]C[5,6]S)(H)2{1|N<3>,2|C<4>,2|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|N<3>,2|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8727	0.447	4	109.8727	0.200	4	109.7487	0.157	6	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3918	0.251	4	109.3918	0.063	4	109.2953	1.719	116	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	109.5250	0.013	2	109.4405	0.079	24	109.2953	1.719	116	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.5030	0.195	20	109.4405	0.079	24	109.2953	1.719	116	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	108.7310	0.038	2	109.4405	0.079	24	109.2953	1.719	116	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[5a,6]C[3x6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6]C[5a,6]C[3x6]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.3688	1.437	4	109.3688	2.065	4	109.2953	1.719	116	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]N[5a,6]C[3x6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2{1|N<3>,2|C<4>,2|H<1>}	N[6](C[6,6]N[5a,6]C[3x6]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5872	0.083	4	109.5872	0.007	4	109.2953	1.719	116	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[4x6]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[4x6]N[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[4x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6](C[6,6]C[4x6]N[6]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4517	0.113	3	109.4517	0.013	3	109.2953	1.719	116	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3748	0.148	4	109.3748	0.022	4	109.2953	1.719	116	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	109.4900	2.173	10	109.2430	2.031	32	109.2953	1.719	116	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	109.1959	0.875	20	109.2430	2.031	32	109.2953	1.719	116	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]C)(H)2{1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	108.4790	2.021	2	109.2430	2.031	32	109.2953	1.719	116	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[4,4x6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6]C[4,4x6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7640	0.025	2	109.7640	0.001	2	109.2953	1.719	116	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3868	0.209	4	109.2165	6.781	13	109.2953	1.719	116	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.1408	3.183	9	109.2165	6.781	13	109.2953	1.719	116	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	108.7433	0.153	6	108.6598	0.041	8	109.2953	1.719	116	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]C)(H)2{1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	108.4090	0.027	2	108.6598	0.041	8	109.2953	1.719	116	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]CC)(N[6]C[6,6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	107.6625	0.050	2	109.1693	6.211	4	109.2953	1.719	116	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]CC)(N[6]C[6,6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(CC[6a]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	110.6760	3.090	2	109.1693	6.211	4	109.2953	1.719	116	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(CC[6a]HH){1|N<2>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.3190	0.040	2	109.3190	0.002	2	109.2953	1.719	116	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]CH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]CH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6]N[6]H)	108.3950	0.130	2	108.3950	0.017	2	109.2953	1.719	116	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,6|H<1>}	H(C[6]C[6]N[6]H)	109.1770	0.000	1	109.1770	0.000	1	109.2953	1.719	116	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2{1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	110.3760	3.960	2	110.3760	15.680	2	109.2953	1.719	116	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6,6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CH3){3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5018	0.146	4	109.5018	0.021	4	109.2953	1.719	116	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6,6]C)(H)2{1|C<4>,3|C<3>}	N[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]HH)(CCHH){1|Cl<1>,1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3670	1.140	2	109.3670	1.299	2	109.2953	1.719	116	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[5a,6]C[6a]H)(N[6]C[6,6]C)(H)2	N[6](C[6,6]C[5a,6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[5a,6]C[6a]H)(N[6]C[6,6]C)(H)2{1|C<4>,1|H<1>,4|C<3>}	N[6](C[6,6]C[5a,6,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.2660	0.000	1	109.2660	0.000	1	109.2953	1.719	116	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(N[6]C[6,6]S)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]CH)(N[6]C[6,6]S)(H)2{1|C<3>,1|H<1>,3|C<4>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]N[6]H)	109.4160	0.479	4	109.4272	0.138	6	109.6857	0.189	10	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(N[6]C[6,6]S)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]CH)(N[6]C[6,6]S)(H)2{1|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	109.4495	0.025	2	109.4272	0.138	6	109.6857	0.189	10	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6,6]S)(H)2	N[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6,6]S)(H)2{1|N<3>,2|C<4>,2|H<1>}	N[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]HH)(SC[6a]OO){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	110.0735	0.062	4	110.0735	0.004	4	109.6857	0.189	10	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6])(H)2	N[6](C[6]C[6,6a]C[5a]H)(C[5]C[5,6a]2H)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6])(H)2{2|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[5a]H)(C[5]C[5,6a]2H)(C[6]C[6]HH){1|N<2>,1|N<3>,2|H<1>,6|C<3>}	H(C[6]C[6]N[6]H)	109.8183	0.134	3	109.8183	0.018	3	109.7449	0.036	13	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6])(H)2	N[6](C[6]C[6,6a]HH)(C[5]C[5]2H)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6])(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6,6a]HH)(C[5]C[5]2H)(C[6]C[6]HH){2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6]N[6]H)	109.6466	0.141	8	109.6466	0.020	8	109.7449	0.036	13	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[5]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6])(H)2	N[6](C[6]C[6,6a]N[5a]H)(C[5]C[5,6a]2H)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6])(H)2{1|N<3>,2|H<1>,4|C<3>}	N[6](C[6]C[6,6a]N[5a]H)(C[5]C[5,6a]2H)(C[6]C[6]HH){1|N<2>,2|H<1>,7|C<3>}	H(C[6]C[6]N[6]H)	110.0280	0.011	2	110.0280	0.000	2	109.7449	0.036	13	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(H)2{1|N<3>,2|C<4>,2|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4158	0.069	4	109.4158	0.005	4	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3){2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.3235	0.015	2	109.3235	0.000	2	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]N[6]H)	109.2130	0.014	2	109.2130	0.000	2	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.0205	0.046	2	109.0205	0.002	2	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>}	N[6](C[6]C[6]HH)2(CH3){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	109.4057	0.068	4	109.4057	0.005	4	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]CO)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]CO)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]N[6]H)	108.7990	0.037	2	108.7990	0.001	2	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]CH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	108.1905	0.042	2	109.0427	0.969	4	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]CH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8950	0.008	2	109.0427	0.969	4	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.0180	0.037	2	109.0180	0.001	2	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5765	0.040	2	109.5765	0.002	2	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6a]CH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<2>,2|C<4>,2|O<2>}	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.9480	0.025	2	109.9480	0.001	2	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<2>,1|C<4>,1|H<1>,2|O<2>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3665	0.005	2	109.3665	0.000	2	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]HN)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[6](C[6]C[6]HH)(C[6]C[6]HN)(CC[6a]HH){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6435	0.005	2	109.6435	0.000	2	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6]C[6]HH)2(CC3){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	110.5779	1.289	7	110.5779	1.663	7	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,2|O<2>}	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.2887	0.080	4	109.2887	0.006	4	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5220	0.035	2	109.4440	0.004	8	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4180	0.049	6	109.4440	0.004	8	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HO)(N[6]C[6]C)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]N[6]H)	108.5250	1.735	2	108.7535	1.380	4	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HO)(N[6]C[6]C)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]HH){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]N[6]H)	108.9820	0.959	2	108.7535	1.380	4	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HO)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]N[6]H)	110.1095	0.011	2	110.1095	0.000	2	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5a,6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]CH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]N[6]H)	109.0070	0.000	1	109.0070	0.000	1	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CCHH){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.1145	0.069	2	109.1145	0.005	2	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7375	0.011	2	109.7375	0.000	2	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|H<1>,3|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(CC[6a]HH){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.3765	0.030	2	109.3765	0.001	2	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CB[6a]CH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|S<2>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CB[6a]CH){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4095	0.012	2	109.4095	0.000	2	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|S<2>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CCHH){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7515	0.029	2	109.7515	0.001	2	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]CH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|S<2>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]CH){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6215	0.110	6	109.6215	0.012	6	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	108.3500	1.922	2	109.4446	0.292	25	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|S<2>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6418	0.032	4	109.4446	0.292	25	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|S<2>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5184	0.191	19	109.4446	0.292	25	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|S<2>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2858	0.133	4	109.2858	0.018	4	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5a]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCCH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HH)2(CCCH){2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	108.6840	0.034	2	108.6840	0.001	2	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a]C[6]H)(N[6]C[6]C)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CCHH){1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	108.7510	0.018	2	108.7510	0.000	2	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]CH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.1105	0.026	2	109.1105	0.001	2	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	N[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3293	0.102	3	109.3293	0.010	3	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CCHH){2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	107.7045	2.672	2	107.7045	7.140	2	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	110.1200	1.240	2	110.1200	1.538	2	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3930	0.023	2	109.3930	0.001	2	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5080	0.021	3	109.5080	0.000	3	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]N[5]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]N[5]H)(N[6]C[6]C)(H)2{1|N<3>,3|C<4>,3|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	108.8835	0.022	2	108.8835	0.000	2	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	109.7455	0.026	2	109.6363	0.016	4	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH){1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.5270	0.018	2	109.6363	0.016	4	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{2|C<3>,2|C<4>}	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.0270	0.047	2	109.0270	0.002	2	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[5a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[5a]HH){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	108.7880	0.008	2	108.7880	0.000	2	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]CH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<2>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]CH){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5570	0.033	4	109.2077	0.195	7	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]CH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]CH){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	108.7420	0.117	3	109.2077	0.195	7	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5625	0.021	2	109.7170	0.032	4	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8715	0.005	2	109.7170	0.032	4	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2506	0.445	14	109.2506	0.198	14	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]C[5]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	108.9823	0.135	7	108.9823	0.018	7	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(CH3){1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	108.8790	2.795	4	108.9725	4.711	6	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.1595	0.148	2	108.9725	4.711	6	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(CCHH){2|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	109.5813	0.083	3	109.5813	0.007	3	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCHH){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	110.3790	0.000	1	110.3790	0.000	1	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[5]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[5]HH){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7720	0.052	2	109.7720	0.003	2	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6378	0.143	6	109.6378	0.021	6	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2	N[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(CC[5a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,3|H<1>}	N[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(CC[5a]HH){1|C<3>,1|N<3>,4|C<4>}	H(C[6]C[6]N[6]H)	109.2207	0.259	4	109.2207	0.067	4	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2	N[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2{1|C<3>,1|N<4>,3|H<1>}	N[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(CC[6a]HH){1|Re<6>,1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]N[6]H)	108.1605	0.022	2	108.1605	0.000	2	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,3|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	H(C[6]C[6]N[6]H)	109.0490	0.021	2	109.0490	0.000	2	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.9608	0.115	6	108.9608	0.013	6	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6]HH)2(CC3){2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.2031	0.206	12	109.2031	0.042	12	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	N[6](C[6]C[6]HH)2(CCHH){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.3277	0.040	6	109.3277	0.002	6	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]2H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]2H){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.2092	0.033	4	109.2092	0.001	4	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|H<1>,2|C<4>,2|F<1>}	H(C[6]C[6]N[6]H)	108.9995	0.022	2	109.1893	0.054	15	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.1440	0.164	11	109.1893	0.054	15	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<2>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6280	0.018	2	109.1893	0.054	15	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CH3){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	110.1815	2.282	2	109.6319	0.693	10	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CH3){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.3275	0.018	2	109.6319	0.693	10	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|N<2>,2|H<1>}	N[6](C[6]C[6]HH)2(CH3){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	109.7800	0.045	2	109.6319	0.693	10	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HH)2(CH3){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4352	0.112	4	109.6319	0.693	10	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]ClC)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]ClC)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){2|Cl<1>,1|F<1>,2|C<4>}	H(C[6]C[6]N[6]H)	109.3955	0.012	2	109.3955	0.000	2	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]ClF)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]ClF)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){2|Cl<1>,1|F<1>,2|C<4>}	H(C[6]C[6]N[6]H)	109.4930	0.007	2	109.4930	0.000	2	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]FF)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]FF)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|H<1>,2|C<4>,2|F<1>}	H(C[6]C[6]N[6]H)	109.6705	0.021	2	109.6705	0.000	2	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCHH){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.2825	0.030	2	108.2825	0.001	2	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]CH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]CH){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4925	0.066	2	109.4925	0.004	2	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6370	0.020	2	109.6088	0.007	8	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5993	0.094	6	109.6088	0.007	8	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(CC[5a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,3|H<1>}	N[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(CC[5a]HH){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6660	0.080	3	109.6660	0.006	3	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<2>,1|C<3>,1|N<3>,2|C<4>}	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5680	0.034	2	109.3838	0.024	6	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<2>,2|C<4>,2|H<1>}	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.2285	0.046	2	109.3838	0.024	6	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<2>,2|C<4>}	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CH3){1|C<2>,1|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.3550	0.011	2	109.3838	0.024	6	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	108.2852	1.440	4	108.2852	2.073	4	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]2H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]2H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8215	0.018	2	109.8215	0.000	2	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	111.2175	4.717	2	109.1576	5.586	8	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	107.2025	0.367	2	109.1576	5.586	8	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4850	0.014	2	109.1576	5.586	8	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	108.7255	0.008	2	109.1576	5.586	8	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<2>,1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.2590	0.020	2	108.4129	2.981	8	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	109.3375	0.030	2	108.4129	2.981	8	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	105.8040	1.645	2	108.4129	2.981	8	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.2510	0.014	2	108.4129	2.981	8	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	108.9945	0.033	2	108.9945	0.001	2	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4677	0.009	4	109.4677	0.000	4	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHN)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHN){1|Ni<5>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	107.1245	1.903	4	107.1245	3.621	4	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CN[6]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CN[6]HH){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4725	0.005	2	109.4725	0.000	2	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]O[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|O<2>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]O[6]HH)(CC[6a]HH){1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8770	0.025	2	109.8770	0.001	2	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CC3){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5030	0.156	3	108.5179	0.921	7	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,2|O<2>}	N[6](C[6]C[6]HH)2(CC3){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	107.7790	0.358	4	108.5179	0.921	7	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCCH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CCCH){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4895	0.138	12	109.4356	0.035	14	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCCH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HH)2(CCCH){2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.1125	0.012	2	109.4356	0.035	14	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3711	0.110	10	109.2216	0.663	300	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.0914	0.150	7	109.2216	0.663	300	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CCHH){1|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6104	1.703	11	109.2216	0.663	300	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4746	0.131	24	109.2216	0.663	300	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	N[6](C[6]C[6]HH)2(CCHH){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.2806	0.172	5	109.2216	0.663	300	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HH)2(CCHH){1|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	108.7100	0.057	4	109.2216	0.663	300	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5680	0.103	5	109.2216	0.663	300	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.1662	0.853	224	109.2216	0.663	300	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CCHH){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3698	0.099	10	109.2216	0.663	300	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CC[5]HH){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4580	0.270	32	109.4649	0.065	36	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CC[5]HH){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5198	0.018	4	109.4649	0.065	36	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5a]CH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CC[5a]CH){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	108.8446	0.742	8	108.8446	0.551	8	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CC[5a]HH){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	108.6999	1.538	8	108.6999	2.367	8	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CC[6]HH){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5403	0.198	7	109.5403	0.039	7	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]2H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]2H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4389	0.116	11	109.4604	0.014	14	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]2H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]2H){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5393	0.097	3	109.4604	0.014	14	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]CH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]CH){1|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5000	0.084	4	109.5889	1.436	15	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]CH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]CH){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6212	1.416	11	109.5889	1.436	15	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<2>,1|C<4>,1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4582	0.056	4	109.3622	0.219	154	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5430	0.156	4	109.3622	0.219	154	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.2784	0.094	7	109.3622	0.219	154	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.2260	0.000	1	109.3622	0.219	154	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3582	0.021	4	109.3622	0.219	154	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.9985	3.789	2	109.3622	0.219	154	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4527	0.183	36	109.3622	0.219	154	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3133	0.151	13	109.3622	0.219	154	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,1|I<1>,3|H<1>}	H(C[6]C[6]N[6]H)	108.7815	0.541	4	109.3622	0.219	154	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3236	0.227	56	109.3622	0.219	154	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|F<1>,2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6715	0.118	2	109.3622	0.219	154	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<2>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6290	0.000	1	109.3622	0.219	154	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6505	0.292	6	109.3622	0.219	154	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.1914	0.853	14	109.3622	0.219	154	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HN)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HN){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5734	0.071	12	109.5734	0.005	12	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCeNN)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CCeNN){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5907	0.171	4	109.5907	0.029	4	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CH3){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4197	0.177	4	109.3331	0.580	71	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CH3){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.7115	1.504	2	109.3331	0.580	71	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CH3){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.2415	0.011	2	109.3331	0.580	71	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	N[6](C[6]C[6]HH)2(CH3){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6690	0.097	3	109.3331	0.580	71	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6]HH)2(CH3){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.1757	1.691	12	109.3331	0.580	71	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CH3){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4040	0.000	1	109.3331	0.580	71	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CH3){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3308	0.355	47	109.3331	0.580	71	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CMoCC)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CMoCC){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3565	0.184	4	109.3565	0.034	4	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN[5]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CN[5]HH){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4303	0.101	4	109.4303	0.010	4	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN[5a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CN[5a]HH){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4458	0.065	4	109.4565	0.399	6	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN[5a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CN[5a]HH){1|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4780	1.407	2	109.4565	0.399	6	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN[6]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6]HH)2(CN[6]HH){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5266	0.038	5	109.5266	0.001	5	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CTiCC)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CTiCC){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7173	0.093	7	109.7173	0.009	7	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CTiNN)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CTiNN){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5866	0.268	8	109.5866	0.072	8	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CZrCC)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CZrCC){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6456	0.095	7	109.6456	0.009	7	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCCH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCCH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4955	0.042	6	109.4955	0.002	6	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCHH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.1340	0.007	2	109.1340	0.000	2	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]CH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5308	0.073	10	109.5308	0.005	10	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.2600	0.101	4	109.2600	0.010	4	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,2|F<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,2|F<1>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4550	0.006	2	109.4550	0.000	2	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,3|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3672	0.635	8	109.0975	0.637	10	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,3|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	108.0185	0.011	2	109.0975	0.637	10	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,3|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6557	0.080	4	109.6029	0.007	8	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,3|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5500	0.046	4	109.6029	0.007	8	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]Si[5]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|Si<4>,1|C<4>,3|H<1>}	N[6](C[6]Si[5]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,1|I<1>,2|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.2215	0.022	2	109.2215	0.000	2	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HI)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HI)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,1|I<1>,3|H<1>}	H(C[6]C[6]N[6]H)	110.0598	0.613	4	110.0598	0.376	4	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]HH){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	110.5410	2.438	2	110.5410	5.944	2	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4855	0.596	2	109.4855	0.355	2	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.8187	0.111	4	109.8187	0.012	4	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]N[6]H)	110.0010	0.030	2	110.0010	0.001	2	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]N[6]H)	109.8505	3.221	2	109.8505	10.374	2	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]N[6]H)	109.1052	1.931	4	109.1052	3.727	4	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CH3){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5830	0.006	2	109.5830	0.000	2	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]N[5]H)(N[6]C[6]C)(H)2{1|N<3>,3|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	108.8260	1.475	2	108.8260	2.176	2	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CH3){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.1970	0.010	2	109.2695	0.020	6	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6]HH)2(CH3){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4510	0.010	2	109.2695	0.020	6	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6]HH)2(CH3){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.1605	0.023	2	109.2695	0.020	6	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2{1|H<1>,2|C<4>,3|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3){1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	108.0320	1.745	4	108.0320	3.046	4	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(N[6]C[6]C)(H)2	N[6](C[6]N[5,6]C[6a]H)(C[6]C[6]HH)(CCCH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[5,6]C[6a]H)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[6](C[6]N[5,6]C[6a]H)(C[6]C[6]HH)(CCCH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]N[6]H)	109.2275	0.036	2	109.2275	0.001	2	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]CH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[5,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5420	0.014	2	109.5420	0.000	2	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[5a,6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[5a,6]CH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]N[6]H)	109.5645	0.022	2	109.5645	0.000	2	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[5a]C[6]H)(N[6]C[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.0480	0.040	2	109.0480	0.002	2	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6,6a]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6,6a]CH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(C[6]C[6]N[6]H)	109.8510	0.025	2	109.8510	0.001	2	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|H<1>,3|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	108.8640	0.140	6	108.7071	0.099	8	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.2365	0.050	2	108.7071	0.099	8	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.3225	0.006	2	109.3225	0.000	2	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|S<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5330	0.037	2	109.5330	0.001	2	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6]CC)(C[6]C[6]HH)(CCHH){1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8995	3.859	2	109.8995	14.889	2	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC3)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC3){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4737	0.018	3	109.4737	0.000	3	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCCH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CCCH){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5438	0.095	5	109.5438	0.009	5	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4978	0.512	195	109.4408	0.570	501	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5168	0.080	6	109.4408	0.570	501	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CCHH){1|N<2>,4|H<1>}	H(C[6]C[6]N[6]H)	110.2062	2.131	4	109.4408	0.570	501	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4062	0.189	4	109.4408	0.570	501	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CCHH){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3980	1.423	30	109.4408	0.570	501	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CCHH){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3536	0.754	243	109.4408	0.570	501	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CCHH){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8377	1.019	16	109.4408	0.570	501	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	N[6](C[6]C[6]HH)2(CCHH){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.9773	0.029	3	109.4408	0.570	501	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[5]HH){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3815	0.146	30	109.4359	0.050	36	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[5]HH){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7083	0.346	6	109.4359	0.050	36	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[5a]HH){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5547	0.124	4	109.5547	0.015	4	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6]HH){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5812	0.246	11	109.4520	0.121	31	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6]HH){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3810	0.379	20	109.4520	0.121	31	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]2H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]2H){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4033	0.158	39	109.5421	0.095	133	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]2H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]2H){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5130	0.090	4	109.5421	0.095	133	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]2H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]2H){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3768	0.614	4	109.5421	0.095	133	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]2H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]2H){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6227	0.124	18	109.5421	0.095	133	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]2H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Cu<4>,1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]2H){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6878	0.286	13	109.5421	0.095	133	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]2H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Cu<4>,2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]2H){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6140	0.174	4	109.5421	0.095	133	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]2H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]2H){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6960	0.638	18	109.5421	0.095	133	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]2H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]2H){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5356	0.115	33	109.5421	0.095	133	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5616	0.830	84	109.4946	0.353	377	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6075	0.040	2	109.4946	0.353	377	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6269	0.053	8	109.4946	0.353	377	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5500	0.066	14	109.4946	0.353	377	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4512	0.556	239	109.4946	0.353	377	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5837	0.147	30	109.4946	0.353	377	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Al<4>,1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CH3){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5907	0.042	4	109.4376	0.145	698	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Al<5>,2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CH3){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5921	0.136	8	109.4376	0.145	698	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Al<7>,2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CH3){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4470	0.107	4	109.4376	0.145	698	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Bi<5>,2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CH3){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4728	0.133	22	109.4376	0.145	698	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CH3){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4040	0.044	2	109.4376	0.145	698	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CH3){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4697	0.302	367	109.4376	0.145	698	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	N[6](C[6]C[6]HH)2(CH3){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4571	0.179	23	109.4376	0.145	698	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CH3){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3683	0.073	6	109.4376	0.145	698	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|P<3>,2|H<1>}	N[6](C[6]C[6]HH)2(CH3){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6917	0.026	3	109.4376	0.145	698	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|P<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CH3){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5047	0.170	21	109.4376	0.145	698	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CH3){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4885	0.026	2	109.4376	0.145	698	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CH3){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3578	0.087	12	109.4376	0.145	698	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|V<7>,3|H<1>}	N[6](C[6]C[6]HH)2(CH3){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4287	0.081	4	109.4376	0.145	698	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CH3){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5165	0.022	2	109.4376	0.145	698	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CH3){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3886	0.044	7	109.4376	0.145	698	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Pd<4>,2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CH3){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7827	0.056	4	109.4376	0.145	698	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Pt<4>,1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CH3){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5328	0.027	4	109.4376	0.145	698	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Sb<4>,2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CH3){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6121	0.132	8	109.4376	0.145	698	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Sb<5>,2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CH3){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4061	0.126	21	109.4376	0.145	698	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Zn<4>,2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CH3){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5140	0.090	5	109.4376	0.145	698	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CH3){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3141	0.635	151	109.4376	0.145	698	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CH3){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3682	0.160	10	109.4376	0.145	698	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	N[6](C[6]C[6]HH)2(CH3){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5556	0.182	8	109.4376	0.145	698	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CHHO)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CHHO){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4490	0.302	4	109.4490	0.091	4	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CHHP)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CHHP){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3632	0.222	6	109.4801	0.028	22	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CHHP)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CHHP){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5239	0.126	16	109.4801	0.028	22	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CHHS)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CHHS){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	110.5495	2.032	4	110.5495	4.129	4	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN[5]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CN[5]HH){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6194	0.159	32	109.6524	0.026	48	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN[5]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CN[5]HH){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7184	0.145	16	109.6524	0.026	48	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN[5a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CN[5a]HH){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6875	1.965	23	109.6882	3.267	27	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN[5a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CN[5a]HH){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6923	0.046	4	109.6882	3.267	27	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN[6]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CN[6]HH){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7228	0.151	15	109.6493	0.026	28	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN[6]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CN[6]HH){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5644	0.135	13	109.6493	0.026	28	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCHH){1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.2115	0.069	2	109.2115	0.005	2	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]CH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]CH){1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5693	0.049	3	109.5693	0.002	3	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]HH){1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.8282	0.133	4	109.8282	0.018	4	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.9560	0.000	1	109.9560	0.000	1	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]O[6]CC)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CC)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CH3){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]N[6]H)	108.9052	0.089	4	108.9052	0.008	4	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]O[6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5538	0.115	4	109.5538	0.013	4	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]O[6]CH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CH3){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]N[6]H)	109.8227	0.154	3	109.8227	0.024	3	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|H<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH){1|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]N[6]H)	109.9805	0.053	2	109.9805	0.003	2	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|H<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.2690	0.006	2	109.2690	0.000	2	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC3)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC3){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5210	0.040	8	109.5210	0.002	8	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCCH)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CCCH){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7247	0.123	16	109.7247	0.015	16	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CCHH){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6026	0.627	260	109.6026	0.393	260	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[3]CH)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[3]CH){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6393	0.104	4	109.6393	0.011	4	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[5]HH){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5806	0.125	15	109.5806	0.016	15	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5a]CH)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[5a]CH){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7550	0.045	4	109.7550	0.002	4	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[5a]HH){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6710	0.102	8	109.6710	0.010	8	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6]CH)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6]CH){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.1542	0.213	4	109.1542	0.045	4	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6]HH){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6237	0.136	14	109.6237	0.018	14	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]2H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]2H){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7386	0.135	21	109.7386	0.018	21	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]CH)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]CH){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7116	0.144	25	109.7116	0.021	25	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6074	0.161	155	109.6074	0.026	155	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HN)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HN){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8540	0.074	4	109.8540	0.006	4	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CH3){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	110.8700	1.815	11	110.8700	3.293	11	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CHHP)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CHHP){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5992	0.353	99	109.5992	0.124	99	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN[5]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CN[5]HH){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8159	0.120	42	109.8159	0.014	42	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN[5a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CN[5a]HH){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8874	1.094	7	109.8874	1.197	7	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CN[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CN[6a]HH){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8945	0.045	4	109.8945	0.002	4	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[5a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[5a]HH){2|C<3>,2|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6960	0.061	2	109.6960	0.004	2	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]2H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]2H){1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6180	0.021	3	109.6180	0.000	3	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]P[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]P[6]HH)(N[6]C[6]C)(H)2{1|Fe<5>,1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CH3){1|P<4>,4|H<1>}	H(C[6]C[6]N[6]H)	108.9539	0.334	39	108.9539	0.112	39	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCCH)	H(C[6]C[6]N[6]H)	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CCCH){1|S<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.1367	0.117	3	109.1367	0.014	3	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CCHH){1|S<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4561	1.419	15	109.4561	2.013	15	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CC[5]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[5]HH){1|S<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.0967	0.181	3	109.0967	0.033	3	109.4517	0.413	3808	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]2C)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{2|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[6]2C)(C[6]C[6]HH)2{1|C<4>,1|N<2>,1|N<3>,2|O<1>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4345	0.086	4	109.4680	0.017	13	109.6012	1.145	98	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]2C)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{2|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[6]2C)(C[6]C[6]HH)2{1|C<4>,2|N<3>,2|O<1>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4829	0.147	9	109.4680	0.017	13	109.6012	1.145	98	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|N<3>,3|C<4>,4|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]HH){1|N<3>,4|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	109.9625	0.022	2	109.9625	0.000	2	109.6012	1.145	98	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{3|C<4>,5|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)2{3|C<4>,8|H<1>}	H(C[6]C[6]N[6]H)	109.4895	0.134	4	107.9471	1.358	12	109.6012	1.145	98	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{3|C<4>,5|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)2{4|C<4>,7|H<1>}	H(C[6]C[6]N[6]H)	107.1759	0.296	8	107.9471	1.358	12	109.6012	1.145	98	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]O[6]C)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|O<2>,3|C<4>,4|H<1>}	N[6](C[6]C[6]O[6]C)(C[6]C[6]HH)2{1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6]N[6]H)	109.5520	0.025	7	109.5520	0.001	7	109.6012	1.145	98	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]2H)(C[6]C[6]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]2H)(C[6]C[6]HH){1|N<3>,2|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6]N[6]H)	109.3795	0.018	2	109.3795	0.000	2	109.6012	1.145	98	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]2)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]2)(H)2{1|N<3>,3|C<4>,4|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)2{2|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6]N[6]H)	112.0443	2.490	4	112.0443	6.198	4	109.6012	1.145	98	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<3>,3|C<4>,3|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)2{1|N<3>,2|C<4>,8|H<1>}	H(C[6]C[6]N[6]H)	109.1827	0.017	4	109.3445	0.034	8	109.6012	1.145	98	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,6|H<1>}	H(C[6]C[6]N[6]H)	109.5062	0.093	4	109.3445	0.034	8	109.6012	1.145	98	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{3|C<4>,3|H<1>}	N[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)2{2|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6]N[6]H)	109.5125	0.162	2	109.5125	0.026	2	109.6012	1.145	98	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]O[6]H)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|O<2>,2|C<4>,3|H<1>}	N[6](C[6]C[6,6]O[6]H)(C[6]C[6]HH)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7720	0.070	8	109.8021	0.006	15	109.6012	1.145	98	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6]O[6]H)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|O<2>,2|C<4>,3|H<1>}	N[6](C[6]C[6,6]O[6]H)(C[6]C[6]HH)2{1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8366	0.076	7	109.8021	0.006	15	109.6012	1.145	98	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	110.7818	1.912	4	110.3989	1.736	8	109.6012	1.145	98	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)2{2|O<2>,3|C<3>,5|H<1>}	H(C[6]C[6]N[6]H)	110.0160	0.067	4	110.3989	1.736	8	109.6012	1.145	98	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]O[6]H)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6,6a]O[6]H)(C[6]C[6]HH)2{1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8915	0.040	4	109.8915	0.002	4	109.6012	1.145	98	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)2{1|C<4>,2|C<3>,2|O<2>,5|H<1>}	H(C[6]C[6]N[6]H)	109.9778	0.059	4	109.7703	0.017	21	109.6012	1.145	98	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)2{2|C<3>,2|O<2>,6|H<1>}	H(C[6]C[6]N[6]H)	109.7698	0.024	4	109.7703	0.017	21	109.6012	1.145	98	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)2{1|O<2>,2|C<3>,6|H<1>}	H(C[6]C[6]N[6]H)	109.8153	0.085	3	109.7703	0.017	21	109.6012	1.145	98	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{3|C<4>,3|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<4>,7|H<1>}	H(C[6]C[6]N[6]H)	109.6915	0.065	4	109.7703	0.017	21	109.6012	1.145	98	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{3|C<4>,3|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)2{1|W<7>,2|C<4>,2|O<2>,6|H<1>}	H(C[6]C[6]N[6]H)	109.6623	0.080	6	109.7703	0.017	21	109.6012	1.145	98	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)2(NRuHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(NRuHH){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	110.2583	0.242	4	110.2583	0.058	4	110.1433	0.050	7	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)2(NH3)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(NH3){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.9900	0.030	3	109.9900	0.001	3	110.1433	0.050	7	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:P-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(PCCN)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|N<3>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]HH)(PCCN){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5920	0.016	2	109.5920	0.000	2	109.6020	0.109	155	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:P-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PCHW)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(PCHW){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7677	0.126	8	109.7677	0.016	8	109.6020	0.109	155	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:P-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PC[6]2Ru)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(PC[6]2Ru){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3950	0.124	4	109.3950	0.015	4	109.6020	0.109	155	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:P-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PC[6a]2C)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(PC[6a]2C){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6746	0.102	8	109.6746	0.010	8	109.6020	0.109	155	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:P-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PC[6a]2O)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(PC[6a]2O){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7722	0.054	4	109.7722	0.003	4	109.6020	0.109	155	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:P-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PC[6a]2Pd)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(PC[6a]2Pd){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	108.2905	0.419	2	108.2905	0.176	2	109.6020	0.109	155	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:P-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PC[6a]2Ru)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(PC[6a]2Ru){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6008	0.056	4	109.6008	0.003	4	109.6020	0.109	155	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:P-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PN3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(PN3){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.0900	0.359	4	109.0900	0.129	4	109.6020	0.109	155	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:P-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PN[6]MoC)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(PN[6]MoC){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6033	0.154	4	109.6033	0.024	4	109.6020	0.109	155	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:P-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PN[6]NN)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(PN[6]NN){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.1385	0.415	11	109.1385	0.173	11	109.6020	0.109	155	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:P-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PN[6]NO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(PN[6]NO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.4374	0.152	7	109.4374	0.023	7	109.6020	0.109	155	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:P-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PN[6]PdO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(PN[6]PdO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3396	0.327	7	109.3396	0.107	7	109.6020	0.109	155	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:P-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PRuOO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(PRuOO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3450	0.105	4	109.3450	0.011	4	109.6020	0.109	155	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:P-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PC[6a]2O)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]P)(H)2{1|C<4>,1|P<4>,2|H<1>}	N[6](C[6]C[6]HH)2(PC[6a]2O){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8413	0.037	4	109.8413	0.001	4	109.6020	0.109	155	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:P-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PNOO)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]P)(H)2{1|C<4>,1|P<4>,2|H<1>}	N[6](C[6]C[6]HH)2(PNOO){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8375	0.006	2	109.8375	0.000	2	109.6020	0.109	155	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:P-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PO3)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]P)(H)2{1|C<4>,1|P<4>,2|H<1>}	N[6](C[6]C[6]HH)2(PO3){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6210	0.036	4	109.6210	0.001	4	109.6020	0.109	155	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:P-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(POOS)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]P)(H)2{1|C<4>,1|P<4>,2|H<1>}	N[6](C[6]C[6]HH)2(POOS){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7930	0.049	4	109.7930	0.002	4	109.6020	0.109	155	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:P-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PC[6a]SS)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(PC[6a]SS){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8503	0.183	3	109.8503	0.034	3	109.6020	0.109	155	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:P-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PC[6a]Se2)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(PC[6a]Se2){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8254	0.191	13	109.8254	0.036	13	109.6020	0.109	155	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:P-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PN3)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(PN3){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5937	0.219	3	109.5937	0.048	3	109.6020	0.109	155	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:P-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PN[6]MoC)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(PN[6]MoC){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	110.0760	0.155	3	110.0760	0.024	3	109.6020	0.109	155	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:P-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PN[6]NN)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(PN[6]NN){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6994	0.296	14	109.6994	0.088	14	109.6020	0.109	155	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:P-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PN[6]NO)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(PN[6]NO){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6986	0.167	27	109.6986	0.028	27	109.6020	0.109	155	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:P-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PN[6]SS)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(PN[6]SS){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7250	0.035	6	109.7250	0.001	6	109.6020	0.109	155	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:P-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PO3)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(PO3){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6073	0.149	3	109.6073	0.022	3	109.6020	0.109	155	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:P[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]P[6])(H)2	N[6](C[6]C[6]HH)2(P[6]N[6]3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]P[6])(H)2{1|C<4>,1|N<3>,2|H<1>,2|N<2>,2|O<2>}	N[6](C[6]C[6]HH)2(P[6]N[6]3){2|P<4>,3|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5123	0.281	7	109.5123	0.079	7	109.5123	0.079	7	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]B[5,6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]B[5,6]CH)(N[6]C[6]S)(H)2{1|C<4>,1|N<4>,1|O<2>,2|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|B<4>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5680	0.156	3	109.5680	0.024	3	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]B[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]B[6]CH)(N[6]C[6]S)(H)2{1|C<4>,1|N<3>,3|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|B<4>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.2340	0.408	4	109.2340	0.166	4	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[3,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[3,6,6]HH)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[3,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.9247	0.165	3	109.9247	0.027	3	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[3,6]C[6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[3,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[3,6]C[6]H)(N[6]C[6]S)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	N[6](C[6]C[3,6]HH)(C[6]C[6]HH)(SC[6a]OO){2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	106.7105	0.037	2	106.7105	0.001	2	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[3,6]HH)(N[6]C[6]S)(H)2{1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8120	0.076	7	109.8120	0.006	7	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[3]C[6]O)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[3]C[6]O)(N[6]C[6]S)(H)2{3|C<4>,5|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]N[6]H)	109.6460	0.040	2	109.6460	0.002	2	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[4x6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[3x6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[4x6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8360	0.048	2	109.8360	0.002	2	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[4,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[4,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[4,6]HH)(N[6]C[6]S)(H)2{1|N<3>,2|C<4>,2|H<1>}	N[6](C[6]C[4,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.2840	0.024	2	109.2840	0.001	2	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,5,6,6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.7940	0.014	2	109.7940	0.000	2	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5,5,6]C[5a]H)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,5,6]C[5a]H)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	110.3820	0.000	1	110.3820	0.000	1	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5,5,6]C[6a]H)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,5,6]C[6a]H)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7433	0.145	3	109.7433	0.021	3	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,5,6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.7965	0.018	2	108.7965	0.000	2	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6,6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.9440	0.000	1	108.9440	0.000	1	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]CC)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>,2|O<2>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.9425	3.888	2	109.9425	15.120	2	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2{1|N<3>,2|C<4>,2|H<1>}	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(SC[6a]OO){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.8505	0.056	2	108.8505	0.003	2	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2{1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	110.2000	0.033	2	110.0123	0.105	14	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.9970	0.016	2	110.0123	0.105	14	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.8727	0.336	6	110.0123	0.105	14	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2{2|H<1>,3|C<4>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	110.1355	0.430	4	110.0123	0.105	14	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>,2|O<2>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	112.6570	0.949	2	112.6570	0.900	2	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(N[6]C[6]S)(H)2	N[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HO)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]N[6]H)	109.3880	0.027	2	109.3880	0.001	2	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5,6]NN)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]NN)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,2|N<3>}	H(C[6]C[6]N[6]H)	110.2560	0.033	2	110.2560	0.001	2	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(SCOO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2{1|H<1>,3|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(SCOO){1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6]N[6]H)	108.7635	0.070	2	108.7635	0.005	2	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2{1|H<1>,3|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]N[6]H)	109.2690	0.047	2	109.2690	0.002	2	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SCOO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SCOO){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6]H)	109.6870	0.030	2	109.6870	0.001	2	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6]H)	109.8860	0.028	2	109.6730	0.061	4	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]N[6]H)	109.4600	0.013	2	109.6730	0.061	4	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]C)(N[6]C[6]S)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]C[6a]C)(N[6]C[6]S)(H)2{1|O<2>,2|H<1>,3|C<3>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO){4|C<3>}	H(C[6]C[6]N[6]H)	109.1750	0.020	2	109.3197	0.030	4	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]C)(N[6]C[6]S)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]C[6a]C)(N[6]C[6]S)(H)2{2|H<1>,4|C<3>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|N<3>,3|C<3>}	H(C[6]C[6]N[6]H)	109.4645	0.066	2	109.3197	0.030	4	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]S)(H)2	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,4|C<3>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]N[6]H)	107.7380	2.843	2	107.7380	8.080	2	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]S)(H)2	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]S)(H)2{1|H<1>,5|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6]N[6]H)	108.5115	0.021	2	108.5115	0.000	2	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]S)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]S)(H)2{2|H<1>,4|C<3>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]N[6]H)	109.1552	0.052	4	109.1552	0.003	4	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(SCOO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2{2|C<3>,2|C<4>}	N[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(SCOO){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6730	0.000	1	109.6730	0.000	1	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2{1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(SC[6a]OO){2|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	108.8278	0.038	4	108.8278	0.001	4	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SCOO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|N<3>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SCOO){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6375	0.005	2	109.6375	0.000	2	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[5a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|S<2>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[5a]OO){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.9075	0.030	2	109.9075	0.001	2	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|N<3>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(SC[6a]OO){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7235	0.030	2	109.7235	0.001	2	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]CH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4130	0.066	2	109.4130	0.004	2	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]CH)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3915	0.331	4	109.3915	0.110	4	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6,6]C[6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]C[6]H)(N[6]C[6]S)(H)2{1|Cl<1>,1|O<2>,3|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.7060	0.380	3	109.7060	0.145	3	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]C[6a]H)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>,4|C<3>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6022	0.299	4	109.6022	0.090	4	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(SC[6a]OO){2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	108.9865	1.479	2	108.9865	2.186	2	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2{1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(SC[6a]OO){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6040	0.052	2	109.6040	0.003	2	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	110.0970	0.000	1	109.8983	0.020	7	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	110.0230	0.006	2	109.8983	0.020	7	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.7725	0.005	2	109.8983	0.020	7	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.8000	0.010	2	109.8983	0.020	7	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2{2|H<1>,3|C<4>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	110.0473	0.405	4	110.0473	0.164	4	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	110.0843	0.098	6	110.0843	0.010	6	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]S)(H)2{1|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO){1|H<1>,5|C<3>}	H(C[6]C[6]N[6]H)	109.0998	0.409	4	109.0998	0.167	4	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(SC[6a]OO){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8982	0.177	17	109.8982	0.031	17	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(SNOO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(SNOO){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	110.0490	0.000	1	110.0490	0.000	1	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]BH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]BH)(N[6]C[6]S)(H)2{2|C<3>,3|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]H)	108.8850	0.030	2	108.8850	0.001	2	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]BrH)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]BrH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	110.5110	0.000	2	110.5110	0.000	2	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CC)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(SC[6]OO){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]N[6]H)	109.4650	0.000	1	109.4650	0.000	1	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CC)(N[6]C[6]S)(H)2{1|C<3>,3|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	110.0655	0.016	2	109.8003	0.094	4	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CC)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]N[6]H)	109.5350	0.014	2	109.8003	0.094	4	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]S)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CC)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	109.1065	0.015	2	109.1065	0.000	2	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	108.9375	0.083	8	109.1615	0.080	17	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.3100	0.214	5	109.1615	0.080	17	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|Br<1>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.1655	0.015	2	109.1615	0.080	17	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6825	0.011	2	109.1615	0.080	17	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|N<3>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]N[6]H)	109.8275	0.845	2	109.8275	0.714	2	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	110.1960	0.034	2	109.9157	0.030	31	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.9322	0.050	4	109.9157	0.030	31	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	109.7940	0.007	2	109.9157	0.030	31	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.9415	0.097	6	109.9157	0.030	31	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.8615	0.012	2	109.9157	0.030	31	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.5210	0.024	2	109.9157	0.030	31	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]H)	110.1610	0.007	2	109.9157	0.030	31	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]N[6]H)	109.8780	0.030	2	109.9157	0.030	31	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	110.2770	0.000	1	109.9157	0.030	31	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	109.8985	0.019	2	109.9157	0.030	31	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]N[6]H)	109.9410	0.047	2	109.9157	0.030	31	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8640	0.034	2	109.9157	0.030	31	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.7505	0.016	2	109.9157	0.030	31	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6577	0.098	4	109.4664	0.098	8	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5765	0.011	2	109.4664	0.098	8	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	108.9735	0.011	2	109.4664	0.098	8	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]CO)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CO)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]N[6]H)	109.7155	0.023	2	109.9130	0.052	4	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]CO)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CO)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	110.1105	0.023	2	109.9130	0.052	4	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]ClH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]ClH)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	110.3050	0.000	1	110.3050	0.000	1	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]FH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]FH)(N[6]C[6]S)(H)2{1|C<3>,3|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<3>,1|F<1>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8130	0.000	1	109.8130	0.000	1	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.6000	0.027	2	109.6000	0.001	2	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.9760	0.963	2	109.9760	0.928	2	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4160	4.192	2	109.4160	17.571	2	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.0645	0.006	2	109.7230	0.572	12	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|Cl<1>,2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	110.1895	0.005	2	109.7230	0.572	12	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|I<1>,2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	111.0360	0.007	2	109.7230	0.572	12	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	109.8305	0.037	2	109.7230	0.572	12	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.0755	0.012	2	109.7230	0.572	12	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{2|H<1>,3|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.1420	0.023	2	109.7230	0.572	12	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]HO)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]HO)(SC[6a]OO){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4530	0.030	2	109.4530	0.001	2	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]CH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<4>,1|N<3>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]CH)(SC[6a]OO){1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4590	0.077	4	109.4590	0.006	4	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.4250	0.037	2	109.7202	0.485	77	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6430	0.257	4	109.7202	0.485	77	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8409	0.080	11	109.7202	0.485	77	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.9430	0.012	4	109.7202	0.485	77	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,3|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.9070	0.021	2	109.7202	0.485	77	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,3|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6790	0.038	2	109.7202	0.485	77	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<4>,1|N<3>,3|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7843	0.105	3	109.7202	0.485	77	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	110.0168	0.031	5	109.7202	0.485	77	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.9893	0.151	6	109.7202	0.485	77	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	108.2625	1.583	2	109.7202	0.485	77	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5773	1.092	24	109.7202	0.485	77	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|Cl<1>,1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.8155	0.011	2	109.7202	0.485	77	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7620	0.058	4	109.7202	0.485	77	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{2|C<3>,3|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.9835	0.006	2	109.7202	0.485	77	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7925	0.008	2	109.7202	0.485	77	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.9270	0.004	2	109.7202	0.485	77	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SNOO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(SNOO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.9167	0.019	3	109.9167	0.000	3	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.9630	0.061	2	109.1548	1.960	16	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<2>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.6385	0.005	2	109.1548	1.960	16	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.2345	0.042	2	109.1548	1.960	16	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|C<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	107.9445	4.959	2	109.1548	1.960	16	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.1730	0.052	4	109.1548	1.960	16	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	109.1560	0.041	2	109.1548	1.960	16	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){2|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	108.9560	0.038	2	109.1548	1.960	16	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2{1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]N[6]H)	109.3585	0.008	2	109.4178	0.086	10	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	109.3863	0.474	4	109.4178	0.086	10	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]N[6]H)	109.4790	0.159	4	109.4178	0.086	10	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(SC[6]OO){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]N[6]H)	110.1195	0.013	2	110.1195	0.000	2	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	109.3645	2.870	2	109.6821	1.241	8	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]N[6]H)	109.6915	0.047	2	109.6821	1.241	8	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]N[6]H)	109.8363	0.222	4	109.6821	1.241	8	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]SiH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]SiH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|Si<3>,1|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.9270	0.000	1	109.9270	0.000	1	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]O)(N[6]C[6]S)(H)2{2|H<1>,4|C<3>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6]N[6]H)	109.8143	0.343	14	109.8143	0.118	14	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6a]O[6]C)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]O[6]C)(N[6]C[6]S)(H)2{1|H<1>,2|C<3>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	109.7775	0.032	2	109.7775	0.001	2	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	109.3390	0.033	2	109.3015	0.002	4	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(H)2{1|H<1>,2|C<3>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	109.2640	0.006	2	109.3015	0.002	4	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	109.9467	0.209	7	109.9467	0.044	7	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(H)2{1|H<1>,1|N<3>,3|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6]N[6]H)	109.7330	0.000	1	109.7330	0.000	1	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SCOO)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]S)(H)2{1|H<1>,1|S<4>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SCOO){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.6520	0.017	2	109.6520	0.000	2	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.9765	0.008	2	109.8672	0.016	4	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.7580	0.016	2	109.8672	0.016	4	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3588	0.385	4	109.3588	0.149	4	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.8755	0.019	2	109.5994	0.122	5	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|H<1>,3|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.2185	0.015	2	109.5994	0.122	5	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	109.8090	0.000	1	109.5994	0.122	5	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SCOO)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(SCOO){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.9415	0.089	8	110.0959	0.837	16	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SCOO)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|C<4>,1|S<4>,2|H<1>}	N[6](C[6]C[6]HH)2(SCOO){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.9918	0.074	6	110.0959	0.837	16	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SCOO)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(SCOO){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	111.0255	3.238	2	110.0959	0.837	16	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.5835	0.619	11	109.8752	0.133	48	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7340	0.011	3	109.8752	0.133	48	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|Rh<5>,1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	110.2597	0.070	4	109.8752	0.133	48	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.9450	0.150	30	109.8752	0.133	48	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SNOO)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(SNOO){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.9218	0.096	8	109.9218	0.009	8	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	109.2830	0.041	2	109.2830	0.002	2	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]O[6]CC)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CC)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]N[6]H)	109.9210	0.011	2	109.9210	0.000	2	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]N[6]H)	110.1110	0.008	2	110.1110	0.000	2	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	109.7562	0.124	5	109.1293	2.585	7	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|H<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	107.5620	2.927	2	109.1293	2.585	7	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]N[6]H)	110.0855	0.012	2	110.0679	0.802	10	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	109.9880	1.531	4	110.0679	0.802	10	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]N[6]H)	110.3230	0.018	2	110.0679	0.802	10	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]N[6]H)	109.9550	0.018	2	110.0679	0.802	10	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]O[6]CO)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CO)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]N[6]H)	109.3065	0.026	2	109.3065	0.001	2	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(SC[6a]OO){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	110.0715	0.019	2	110.0715	0.000	2	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SCOO)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(SCOO){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	110.1154	0.047	7	110.1154	0.002	7	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[5]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(SC[5]OO){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.8655	0.316	6	109.8655	0.100	6	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]NO)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]NO){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	110.0538	0.107	4	110.0538	0.011	4	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	109.0027	1.518	4	109.6839	0.683	15	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.9316	0.112	11	109.6839	0.683	15	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]S[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(SC[6a]OO)	H(C[6]C[6]N[6]H)	C[6](C[6]S[6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO){1|S<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.0485	0.166	4	109.0485	0.028	4	109.6878	0.535	541	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:P[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]P[6]C)(H)2	N[6](C[6]C[6]HH)(P[6]N[6]NN)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]P[6]C)(H)2{1|N<3>,2|H<1>,2|N<2>}	N[6](C[6]C[6]HH)(P[6]N[6]NN)(CC[6a]HH){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.4815	0.260	10	109.4815	0.068	10	109.3671	0.066	18	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:P[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]P[6]C)(H)2	N[6](C[6]C[6]HH)(P[6]N[6]NN)(CH3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]P[6]C)(H)2{1|N<3>,2|H<1>,2|N<2>}	N[6](C[6]C[6]HH)(P[6]N[6]NN)(CH3){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.1870	0.191	6	109.1870	0.037	6	109.3671	0.066	18	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:P[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]P[6]C)(H)2	N[6](C[6]C[6]HH)(P[6]O[6]NN)(CC[5]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]P[6]C)(H)2{1|O<2>,2|H<1>,2|N<2>}	N[6](C[6]C[6]HH)(P[6]O[6]NN)(CC[5]HH){1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	109.3355	0.066	2	109.3355	0.004	2	109.3671	0.066	18	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:S[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]S[6]C)(H)2	N[6](C[6]C[6]HH)(S[6]N[6]OO)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]S[6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,2|O<1>}	N[6](C[6]C[6]HH)(S[6]N[6]OO)(CC[6a]HH){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	108.4600	0.065	2	108.4600	0.004	2	109.1113	0.272	6	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:S[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]S[6]C)(H)2	N[6](C[6]C[6]HH)(S[6]N[6]OO)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]S[6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,2|O<1>}	N[6](C[6]C[6]HH)(S[6]N[6]OO)(CC[6a]HH){1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.2955	0.023	2	109.2955	0.001	2	109.1113	0.272	6	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:S[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HS)(N[6]S[6]C)(H)2	N[6](C[6]C[6]HH)(S[6]C[6]OO)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HS)(N[6]S[6]C)(H)2{1|C<4>,2|H<1>,2|O<1>}	N[6](C[6]C[6]HH)(S[6]C[6]OO)(CCHH){1|C<4>,1|S<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.5785	0.023	2	109.5785	0.001	2	109.1113	0.272	6	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	Nb[6]-4:C[6]-4:Si-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(N[6]Nb[6]Si)(H)2	N[6](Nb[6]N[6]CN)(C[6]C[6]HH)(SiC3)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]C)(N[6]Nb[6]Si)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|N<2>}	N[6](Nb[6]N[6]CN)(C[6]C[6]HH)(SiC3){1|Si<4>,1|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	107.8255	0.201	4	107.8255	0.040	4	107.8255	0.040	4	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	P-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	N[6](PC[5]N[6]Pt)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	N[6](PC[5]N[6]Pt)(C[6]C[6]HH)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.3334	0.123	7	109.3334	0.015	7	109.1858	0.770	19	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	P-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	N[6](PC[6]N[6]Ru)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	N[6](PC[6]N[6]Ru)(C[6]C[6]HH)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	109.7530	0.245	8	109.7530	0.060	8	109.1858	0.770	19	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	P-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	N[6](PC[6a]N[6]C)(C[6]C[6]HH)2	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	N[6](PC[6a]N[6]C)(C[6]C[6]HH)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	107.7933	0.979	4	107.7933	0.958	4	109.1858	0.770	19	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	S[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5a,6]HN)(N[6]S[6]C)(H)2	N[6](S[6]C[5a,6]OO)(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HN)(N[6]S[6]C)(H)2{2|C<3>,2|O<1>}	N[6](S[6]C[5a,6]OO)(C[6]C[6]HH)(CCHH){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	H(C[6]C[6]N[6]H)	108.8760	0.010	2	108.8760	0.000	2	109.0155	0.017	6	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	C[6]-4:N[6]-3:H-1:H-1:	S[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]S[6]C)(H)2	N[6](S[6]C[6,6]OO)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]S[6]C)(H)2{1|H<1>,2|C<4>,2|O<1>}	N[6](S[6]C[6,6]OO)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	109.0853	0.096	4	109.0853	0.009	4	109.0155	0.017	6	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	N[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	N[6](C[6]N[6,6]HH)2(CCHH)	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{2|N<3>,6|H<1>}	N[6](C[6]N[6,6]HH)2(CCHH){4|C<4>}	H(C[6]N[6,6]N[6]H)	109.4517	0.032	3	109.4517	0.001	3	109.3740	0.012	5	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	N[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6,6]C[6,6]Ga[6]C)(N[6]C[6]C)(H)2	N[6](C[6]N[6,6]HH)(C[6]N[6]HH)(CH3)	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]Ga[6]C)(N[6]C[6]C)(H)2{1|Ga<4>,1|N<3>,3|C<4>,3|H<1>}	N[6](C[6]N[6,6]HH)(C[6]N[6]HH)(CH3){1|Ga<4>,3|C<4>}	H(C[6]N[6,6]N[6]H)	109.2575	0.009	2	109.2575	0.000	2	109.3740	0.012	5	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	N[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]C)(N[6]C[6]2)(H)2	N[6](C[6]N[6,6]HH)2(C[6]C[6]2H)	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]C[6]C)(N[6]C[6]2)(H)2{2|C<4>,2|N<3>,7|H<1>}	N[6](C[6]N[6,6]HH)2(C[6]C[6]2H){1|N<3>,3|H<1>,6|C<4>}	H(C[6]N[6,6]N[6]H)	109.4765	0.024	4	109.4765	0.001	4	109.1307	0.170	12	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	N[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(N[6]C[6]2)(H)2	N[6](C[6]N[6,6]HH)2(C[6]C[6]2H)	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]C[6]H)(N[6]C[6]2)(H)2{2|C<4>,2|N<3>,7|H<1>}	N[6](C[6]N[6,6]HH)2(C[6]C[6]2H){1|N<3>,4|H<1>,5|C<4>}	H(C[6]N[6,6]N[6]H)	108.9579	0.405	8	108.9579	0.164	8	109.1307	0.170	12	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	N[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6]AlC)(N[6]C[6]C)(H)2	N[6](C[6]N[6]HH)2(CH3)	H(C[6]N[6]2H)	C[6](N[6]C[6]AlC)(N[6]C[6]C)(H)2{1|Al<4>,1|N<3>,3|H<1>}	N[6](C[6]N[6]HH)2(CH3){1|Al<4>,3|C<4>}	H(C[6]N[6]2H)	109.3092	0.050	4	109.4553	0.019	10	110.4563	4.597	26	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	N[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6]AlC)(N[6]C[6]C)(H)2	N[6](C[6]N[6]HH)2(CH3)	H(C[6]N[6]2H)	C[6](N[6]C[6]AlC)(N[6]C[6]C)(H)2{1|N<4>,4|H<1>}	N[6](C[6]N[6]HH)2(CH3){2|Al<4>,3|C<4>}	H(C[6]N[6]2H)	109.5203	0.062	4	109.4553	0.019	10	110.4563	4.597	26	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	N[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6]AlC)(N[6]C[6]C)(H)2	N[6](C[6]N[6]HH)2(CH3)	H(C[6]N[6]2H)	C[6](N[6]C[6]AlC)(N[6]C[6]C)(H)2{1|Si<4>,1|N<3>,3|H<1>}	N[6](C[6]N[6]HH)2(CH3){1|Al<4>,3|C<4>}	H(C[6]N[6]2H)	109.6175	0.005	2	109.4553	0.019	10	110.4563	4.597	26	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	N[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6]CH)(N[6]C[6]C)(H)2	N[6](C[6]N[6]HH)2(CH3)	H(C[6]N[6]2H)	C[6](N[6]C[6]CH)(N[6]C[6]C)(H)2{1|N<3>,4|H<1>}	N[6](C[6]N[6]HH)2(CH3){1|H<1>,3|C<4>}	H(C[6]N[6]2H)	111.8667	2.773	4	111.8667	7.690	4	110.4563	4.597	26	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	N[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6]CuC)(N[6]C[6]C)(H)2	N[6](C[6]N[6]HH)2(CC[6]HH)	H(C[6]N[6]2H)	C[6](N[6]C[6]CuC)(N[6]C[6]C)(H)2{1|N<3>,4|H<1>}	N[6](C[6]N[6]HH)2(CC[6]HH){1|Cu<5>,3|C<4>}	H(C[6]N[6]2H)	109.2085	0.029	2	109.2085	0.001	2	110.4563	4.597	26	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	N[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6]CuC)(N[6]C[6]C)(H)2	N[6](C[6]N[6]HH)2(CC[6a]HH)	H(C[6]N[6]2H)	C[6](N[6]C[6]CuC)(N[6]C[6]C)(H)2{1|N<3>,4|H<1>}	N[6](C[6]N[6]HH)2(CC[6a]HH){1|Cu<5>,3|C<4>}	H(C[6]N[6]2H)	109.0510	0.027	2	109.9588	0.496	6	110.4563	4.597	26	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	N[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6]CuC)(N[6]C[6]C)(H)2	N[6](C[6]N[6]HH)2(CC[6a]HH)	H(C[6]N[6]2H)	C[6](N[6]C[6]CuC)(N[6]C[6]C)(H)2{1|N<4>,4|H<1>}	N[6](C[6]N[6]HH)2(CC[6a]HH){2|Cu<2>,3|C<4>}	H(C[6]N[6]2H)	110.4128	0.042	4	109.9588	0.496	6	110.4563	4.597	26	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	N[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6]NiC)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHN)	H(C[6]N[6]2H)	C[6](N[6]C[6]NiC)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHN){1|Ni<5>,2|C<4>,2|H<1>}	H(C[6]N[6]2H)	112.9183	3.759	4	112.9183	14.130	4	110.4563	4.597	26	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	P[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](P[6]C[5,6]C[6a]2)(N[6]C[6]C)(H)2	N[6](C[6]C[5,6]CH)(C[6]P[6]HH)(CH3)	H(C[6]N[6]P[6]H)	C[6](P[6]C[5,6]C[6a]2)(N[6]C[6]C)(H)2{1|Fe<10>,1|H<1>,3|C<4>,4|C<3>}	N[6](C[6]C[5,6]CH)(C[6]P[6]HH)(CH3){1|Fe<10>,2|C<3>,2|C<4>}	H(C[6]N[6]P[6]H)	110.0965	0.043	2	110.0965	0.002	2	109.7432	0.112	5	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:4:	4:	P[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](P[6]C[6]PdC)(N[6]C[6]C)(H)2	N[6](C[6]N[6]HH)(C[6]P[6]HH)(CC[6a]HH)	H(C[6]N[6]P[6]H)	C[6](P[6]C[6]PdC)(N[6]C[6]C)(H)2{1|N<3>,4|H<1>}	N[6](C[6]N[6]HH)(C[6]P[6]HH)(CC[6a]HH){1|Pd<4>,3|C<4>}	H(C[6]N[6]P[6]H)	109.5077	0.122	3	109.5077	0.015	3	109.7432	0.112	5	109.5025	0.530	5514	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:5:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:P-5:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PN[6]2NU)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(PN[6]2NU){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	110.7908	0.239	14	110.7908	0.057	14	110.4252	0.326	21	110.4252	0.326	21	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:1:1:	4:4:5:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:P-5:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2	N[6](C[6]C[6]HH)2(PN[6]CeNO)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2{1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(PN[6]CeNO){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	109.6941	0.164	7	109.6941	0.027	7	110.4252	0.326	21	110.4252	0.326	21	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:2:1:	3:4:2:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-3:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(OH)(H)	N[6](C[6]C[6,6a]O)(C[6]C[6]HO)(OC)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]O)(OH)(H){1|O<1>,4|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]HO)(OC){1|C<4>,3|C<3>}	H(C[6]C[6]N[6]O)	108.5970	0.000	1	108.5970	0.000	1	108.5970	0.000	1	108.5970	0.000	1	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:2:1:	4:2:3:	4:	C[6]-4:N[6]-3:O[6]-2:H-1:	C[6]-4:O[6]-2:C-3:	C[6]-4:	C[6](C[6]C[6]2H)(N[6]O[6]C)(O[6]C[6])(H)	N[6](C[6]C[6]O[6]H)(O[6]C[6])(COO)	H(C[6]C[6]N[6]O[6])	C[6](C[6]C[6]2H)(N[6]O[6]C)(O[6]C[6])(H){3|C<4>,6|H<1>}	N[6](C[6]C[6]O[6]H)(O[6]C[6])(COO){2|H<1>,4|C<4>}	H(C[6]C[6]N[6]O[6])	106.9870	0.000	1	106.9870	0.000	1	106.9870	0.000	1	106.9870	0.000	1	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:2:1:	4:4:1:	4:	C[5,5]-4:N[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,5]C[5,5]O[5]2)(N[6]C[6]H)(O[6]N[6])(H)	N[6](C[6]C[5,5]O[6]H)(C[6]C[6]HH)(H)	H(C[6]C[5,5]N[6]O[6])	C[6](C[5,5]C[5,5]O[5]2)(N[6]C[6]H)(O[6]N[6])(H){1|O<2>,3|H<1>,5|C<4>}	N[6](C[6]C[5,5]O[6]H)(C[6]C[6]HH)(H){1|H<1>,1|N<3>,2|C<4>,2|O<2>}	H(C[6]C[5,5]N[6]O[6])	108.8840	0.000	1	108.8840	0.000	1	108.8840	0.000	1	109.7613	0.586	3	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:2:1:	4:4:1:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6]HO)(N[6]C[6]H)(OO)(H)	N[6](C[6]C[6]HO)2(H)	H(C[6]C[6]N[6]O)	C[6](C[6]N[6]HO)(N[6]C[6]H)(OO)(H){1|C<4>,1|O<2>,2|H<1>}	N[6](C[6]C[6]HO)2(H){1|N<3>,2|H<1>,2|O<2>}	H(C[6]C[6]N[6]O)	110.2000	0.130	2	110.2000	0.017	2	110.2000	0.017	2	109.7613	0.586	3	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:2:1:	4:4:2:	4:	C[6]-4:N[6]-3:C-2:H-1:	C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]O)(CN)(H)	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]CH)(OH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[5a,6]HH)(N[6]C[6]O)(CN)(H){1|C<4>,3|C<3>}	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]CH)(OH){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]C)	106.9030	0.000	1	106.9030	0.000	1	106.9030	0.000	1	107.5345	0.798	2	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:2:1:	4:4:2:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:S-4:N[6]-2:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]N[6]S)(OH)(H)	N[6](C[6]C[6]HO)(SC[6a]OO)(N[6]C[6])	H(C[6]C[6]N[6]O)	C[6](C[6]C[6]HH)(N[6]N[6]S)(OH)(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]HO)(SC[6a]OO)(N[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]O)	108.1660	0.000	1	108.1660	0.000	1	108.1660	0.000	1	107.5345	0.798	2	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:2:1:	4:4:4:	4:	C[5,6]-4:N[6]-3:C-2:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]C)(CN)(H)	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[5,6]N[6]C)	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]C)(CN)(H){1|O<2>,2|C<4>,3|H<1>}	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]HH){1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6]N[6]C)	112.2270	0.000	1	112.2270	0.000	1	110.3085	7.361	2	109.3948	3.161	6	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:2:1:	4:4:4:	4:	C[5,6]-4:N[6]-3:C-2:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CN)(H)	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[5,6]N[6]C)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CN)(H){1|O<2>,2|C<4>,3|H<1>}	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]N[6]C)	108.3900	0.000	1	108.3900	0.000	1	110.3085	7.361	2	109.3948	3.161	6	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:2:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-2:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CN)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(CN)(H){1|C<4>,2|H<1>,2|O<2>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	106.9220	0.000	1	106.9220	0.000	1	106.9220	0.000	1	109.3948	3.161	6	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:2:1:	4:4:4:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(OC)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HO)(SC[6a]OO)	H(C[6]C[6]N[6]O)	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(OC)(H){1|H<1>,2|C<4>,2|S<2>}	N[6](C[6]C[6]CH)(C[6]C[6]HO)(SC[6a]OO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]O)	109.0760	0.000	1	109.0760	0.000	1	109.6100	0.261	3	109.3948	3.161	6	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:2:1:	4:4:4:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]S)(OC)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HO)(SC[6a]OO)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6]HO)(N[6]C[6]S)(OC)(H){2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HO)(SC[6a]OO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]O)	110.0940	0.000	1	110.0940	0.000	1	109.6100	0.261	3	109.3948	3.161	6	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:2:1:	4:4:4:	4:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]S)(OH)(H)	N[6](C[6]C[6]HH)(C[6]C[6]HO)(SC[6a]OO)	H(C[6]C[6]N[6]O)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]S)(OH)(H){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]HO)(SC[6a]OO){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]O)	109.6600	0.000	1	109.6600	0.000	1	109.6100	0.261	3	109.3948	3.161	6	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	3:4:1:	4:	C[5,6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]C[6a]H)(H)	H(C[6]C[5,6,6]C[6a]N[6])	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){3|C<4>,4|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6,6]C[6a]N[6])	108.1410	0.000	1	108.1410	0.000	1	108.1410	0.000	1	109.1254	1.654	37	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	3:4:1:	4:	C[5,6]-4:C[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[5a]C[5a]O[5a])(N[6]C[6,6a]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5a]H)(H)	H(C[6]C[5,6]C[5a]N[6])	C[6](C[5,6]C[5,6]C[5]H)(C[5a]C[5a]O[5a])(N[6]C[6,6a]H)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5a]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	H(C[6]C[5,6]C[5a]N[6])	108.8330	0.000	1	108.8330	0.000	1	108.8330	0.000	1	109.1254	1.654	37	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	3:4:1:	4:	C[5,6]-4:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(COO)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(H)	H(C[6]C[5,6]N[6]C)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(COO)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]N[6]C)	108.2740	0.000	1	108.2740	0.000	1	108.2740	0.000	1	109.1254	1.654	37	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	3:4:1:	4:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	H(C[6]C[5,6]C[6a]N[6])	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|Br<1>,4|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]N[6])	108.4640	0.000	1	108.3402	0.891	10	108.3402	0.891	10	109.1254	1.654	37	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	3:4:1:	4:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	H(C[6]C[5,6]C[6a]N[6])	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6a]N[6])	108.0800	0.000	1	108.3402	0.891	10	108.3402	0.891	10	109.1254	1.654	37	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	3:4:1:	4:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	H(C[6]C[5,6]C[6a]N[6])	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	H(C[6]C[5,6]C[6a]N[6])	106.6810	0.000	1	108.3402	0.891	10	108.3402	0.891	10	109.1254	1.654	37	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	3:4:1:	4:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	H(C[6]C[5,6]C[6a]N[6])	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]N[6])	108.3085	0.496	6	108.3402	0.891	10	108.3402	0.891	10	109.1254	1.654	37	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	3:4:1:	4:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	H(C[6]C[5,6]C[6a]N[6])	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){5|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]N[6])	110.3260	0.000	1	108.3402	0.891	10	108.3402	0.891	10	109.1254	1.654	37	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	3:4:1:	4:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[5a,6]N[6,6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){1|N<3>,2|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]N[6])	109.2590	0.000	1	109.2590	0.000	1	108.7383	0.221	7	109.1254	1.654	37	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	3:4:1:	4:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6a]N[6])	108.9335	0.211	2	108.6515	0.202	6	108.7383	0.221	7	109.1254	1.654	37	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	3:4:1:	4:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]N[6])	108.5105	0.492	4	108.6515	0.202	6	108.7383	0.221	7	109.1254	1.654	37	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	3:4:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	N[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]N[6]H)(COO)(H)	N[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]N[6]H)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	N[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]C)	109.4340	0.611	4	109.4340	0.374	4	109.4340	0.374	4	109.1254	1.654	37	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	3:4:1:	4:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	109.3540	0.000	1	109.3540	0.000	1	110.0065	2.467	13	109.1254	1.654	37	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	3:4:1:	4:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]C)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]C)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|H<1>,1|N<3>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	106.8440	0.000	1	106.8440	0.000	1	110.0065	2.467	13	109.1254	1.654	37	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	3:4:1:	4:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|H<1>,2|O<2>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|N<3>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	110.8455	0.558	2	110.3534	1.786	11	110.0065	2.467	13	109.1254	1.654	37	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	3:4:1:	4:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|N<3>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	110.2440	1.456	9	110.3534	1.786	11	110.0065	2.467	13	109.1254	1.654	37	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	3:4:4:	4:	C[5,6]-4:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(N[6]C[6,6a]S)(CC[6a]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(SC[6a]OO)	H(C[6]C[5,6]N[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(N[6]C[6,6a]S)(CC[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[5,6]N[6]C)	107.7150	0.000	1	107.7150	0.000	1	107.3340	0.290	2	107.4845	0.648	4	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	3:4:4:	4:	C[5,6]-4:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(N[6]C[6,6a]S)(COO)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(SC[6a]OO)	H(C[6]C[5,6]N[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(N[6]C[6,6a]S)(COO)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[5,6]N[6]C)	106.9530	0.000	1	106.9530	0.000	1	107.3340	0.290	2	107.4845	0.648	4	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	3:4:4:	4:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6a]S)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(SC[6a]OO)	H(C[6]C[5,6]C[6a]N[6])	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6a]S)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(SC[6a]OO){1|C<4>,1|H<1>,6|C<3>}	H(C[6]C[5,6]C[6a]N[6])	106.7510	0.000	1	106.7510	0.000	1	106.7510	0.000	1	107.4845	0.648	4	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	3:4:4:	4:	C[6]-4:N[6]-3:N-3:H-1:	S[6]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6,6a]Cl2)(N[6]S[6]S)(NHS)(H)	N[6](S[6]C[6,6a]N)(C[6]C[6]HN)(SC[6a]OO)	H(C[6]C[6]N[6]N)	C[6](C[6]C[6,6a]Cl2)(N[6]S[6]S)(NHS)(H){1|N<2>,2|C<3>}	N[6](S[6]C[6,6a]N)(C[6]C[6]HN)(SC[6a]OO){2|Cl<1>,2|C<3>}	H(C[6]C[6]N[6]N)	108.5190	0.000	1	108.5190	0.000	1	108.5190	0.000	1	107.4845	0.648	4	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:2:4:	4:	C[5,6]-4:N[6]-3:C-3:H-1:	C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]O[6]C)(COO)(H)	N[6](C[6]C[5,6]CH)(O[6]C[5,6])(CC[6a]CH)	H(C[6]C[5,6]N[6]C)	C[6](C[5,6]C[5,6]C[5]H)(N[6]O[6]C)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[5,6]CH)(O[6]C[5,6])(CC[6a]CH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]N[6]C)	107.1240	0.000	1	107.1240	0.000	1	107.1240	0.000	1	107.1240	0.000	1	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:3:4:	4:	C[5,5,6,6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[5,6a])(N[6]C[6]C)(CNO)(H)	N[6](C[6]C[5,5,6,6]CH)(C[6]C[6,6]O)(CC[6a]HH)	H(C[6]C[5,5,6,6]N[6]C)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[5,6a])(N[6]C[6]C)(CNO)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|N<3>}	N[6](C[6]C[5,5,6,6]CH)(C[6]C[6,6]O)(CC[6a]HH){1|C<3>,4|C<4>}	H(C[6]C[5,5,6,6]N[6]C)	107.6930	0.000	1	107.6930	0.000	1	107.6930	0.000	1	107.6400	0.006	2	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:3:4:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6]MoH)(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CH3)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6]MoH)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CH3){1|Mo<7>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	107.5870	0.000	1	107.5870	0.000	1	107.5870	0.000	1	107.6400	0.006	2	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[3x6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[3x6]C[6a]H)2(H)	H(C[6]C[3x6]C[6a]N[6])	C[6](C[3x6]C[4x6]C[6,6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,5|H<1>}	N[6](C[6]C[3x6]C[6a]H)2(H){2|H<1>,3|C<4>,4|C<3>}	H(C[6]C[3x6]C[6a]N[6])	108.3500	0.400	2	108.3500	0.160	2	108.3500	0.160	2	108.2095	1.301	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[5,6]-4:C[5a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[6a]C[5])(C[5a]C[5a]O[5a])(N[6]C[6]H)(H)	N[6](C[6]C[5,6]C[5a]H)(C[6]C[5,6]HH)(H)	H(C[6]C[5,6]C[5a]N[6])	C[6](C[5,6]C[5,6]C[6a]C[5])(C[5a]C[5a]O[5a])(N[6]C[6]H)(H){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	N[6](C[6]C[5,6]C[5a]H)(C[6]C[5,6]HH)(H){1|O<2>,3|C<3>,3|C<4>}	H(C[6]C[5,6]C[5a]N[6])	107.4880	0.000	1	107.4880	0.000	1	107.4880	0.000	1	108.2095	1.301	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[5,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(H)	H(C[6]C[5,6]C[6a]N[6])	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(N[6]C[6]H)(H){2|C<3>,3|C<4>,8|H<1>}	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6a]N[6])	107.1745	0.021	2	107.1745	0.000	2	107.1745	0.000	2	108.2095	1.301	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6]C[6a]H)2(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|F<1>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	N[6](C[6]C[6,6]C[6a]H)2(H){1|H<1>,3|C<4>,5|C<3>}	H(C[6]C[6,6]C[6a]N[6])	107.6690	0.000	1	107.5511	0.059	7	108.2301	1.155	57	108.2095	1.301	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6]C[6a]H)2(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	N[6](C[6]C[6,6]C[6a]H)2(H){1|H<1>,3|C<4>,5|C<3>}	H(C[6]C[6,6]C[6a]N[6])	107.8400	0.000	1	107.5511	0.059	7	108.2301	1.155	57	108.2095	1.301	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6]C[6a]H)2(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	N[6](C[6]C[6,6]C[6a]H)2(H){1|H<1>,3|C<4>,5|C<3>}	H(C[6]C[6,6]C[6a]N[6])	107.7190	0.000	1	107.5511	0.059	7	108.2301	1.155	57	108.2095	1.301	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6]C[6a]H)2(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	N[6](C[6]C[6,6]C[6a]H)2(H){4|C<4>,5|C<3>}	H(C[6]C[6,6]C[6a]N[6])	107.4075	0.222	4	107.5511	0.059	7	108.2301	1.155	57	108.2095	1.301	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6]C[6a]H)2(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|Br<1>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	N[6](C[6]C[6,6]C[6a]H)2(H){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]N[6])	108.2468	0.369	4	108.3251	1.238	50	108.2301	1.155	57	108.2095	1.301	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6]C[6a]H)2(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<2>,1|N<3>,4|C<3>,4|H<1>}	N[6](C[6]C[6,6]C[6a]H)2(H){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]N[6])	111.0627	1.734	4	108.3251	1.238	50	108.2301	1.155	57	108.2095	1.301	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6]C[6a]H)2(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	N[6](C[6]C[6,6]C[6a]H)2(H){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]N[6])	106.5890	0.186	4	108.3251	1.238	50	108.2301	1.155	57	108.2095	1.301	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6]C[6a]H)2(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	N[6](C[6]C[6,6]C[6a]H)2(H){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]N[6])	108.7491	0.634	8	108.3251	1.238	50	108.2301	1.155	57	108.2095	1.301	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6]C[6a]H)2(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|Cl<1>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	N[6](C[6]C[6,6]C[6a]H)2(H){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]N[6])	108.1870	0.310	2	108.3251	1.238	50	108.2301	1.155	57	108.2095	1.301	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6]C[6a]H)2(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|F<1>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	N[6](C[6]C[6,6]C[6a]H)2(H){1|H<1>,3|C<4>,5|C<3>}	H(C[6]C[6,6]C[6a]N[6])	108.6790	0.000	1	108.3251	1.238	50	108.2301	1.155	57	108.2095	1.301	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6]C[6a]H)2(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|F<1>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	N[6](C[6]C[6,6]C[6a]H)2(H){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]N[6])	108.4955	0.237	2	108.3251	1.238	50	108.2301	1.155	57	108.2095	1.301	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6]C[6a]H)2(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|N<2>,2|C<4>,3|C<3>,5|H<1>}	N[6](C[6]C[6,6]C[6a]H)2(H){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]N[6])	108.2730	0.092	2	108.3251	1.238	50	108.2301	1.155	57	108.2095	1.301	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6]C[6a]H)2(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	N[6](C[6]C[6,6]C[6a]H)2(H){1|H<1>,3|C<4>,5|C<3>}	H(C[6]C[6,6]C[6a]N[6])	108.4000	0.000	1	108.3251	1.238	50	108.2301	1.155	57	108.2095	1.301	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6]C[6a]H)2(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	N[6](C[6]C[6,6]C[6a]H)2(H){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]N[6])	108.3523	0.282	3	108.3251	1.238	50	108.2301	1.155	57	108.2095	1.301	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6]C[6a]H)2(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	N[6](C[6]C[6,6]C[6a]H)2(H){1|H<1>,3|C<4>,5|C<3>}	H(C[6]C[6,6]C[6a]N[6])	108.3810	0.000	1	108.3251	1.238	50	108.2301	1.155	57	108.2095	1.301	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6]C[6a]H)2(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	N[6](C[6]C[6,6]C[6a]H)2(H){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]N[6])	107.8759	0.251	16	108.3251	1.238	50	108.2301	1.155	57	108.2095	1.301	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6]C[6a]H)2(H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){2|C<4>,4|C<3>,5|H<1>}	N[6](C[6]C[6,6]C[6a]H)2(H){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]N[6])	108.1135	0.042	2	108.3251	1.238	50	108.2301	1.155	57	108.2095	1.301	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:N[6]-3:C-3:H-1:	C[6]-4:S[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]S[6]H)(CCH)(H)	N[6](C[6]C[6,6]CH)(S[6]N[6]OO)(H)	H(C[6]C[6,6]N[6]C)	C[6](C[6,6]C[6,6]C[6]H)(N[6]S[6]H)(CCH)(H){1|N<3>,2|C<4>,2|O<1>,3|H<1>}	N[6](C[6]C[6,6]CH)(S[6]N[6]OO)(H){1|H<1>,3|C<4>}	H(C[6]C[6,6]N[6]C)	109.1370	0.000	1	109.1370	0.000	1	107.8670	2.642	3	108.2095	1.301	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[6,6]-4:N[6]-3:C-3:H-1:	C[6]-4:S[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]S[6]H)(CCO)(H)	N[6](C[6]C[6,6]CH)(S[6]N[6]OO)(H)	H(C[6]C[6,6]N[6]C)	C[6](C[6,6]C[6,6]C[6]H)(N[6]S[6]H)(CCO)(H){1|N<3>,2|C<4>,2|O<1>,3|H<1>}	N[6](C[6]C[6,6]CH)(S[6]N[6]OO)(H){1|H<1>,3|C<4>}	H(C[6]C[6,6]N[6]C)	107.2320	1.693	2	107.2320	2.866	2	107.8670	2.642	3	108.2095	1.301	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:C[5]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[5]N[5]O[5])(N[6]C[6]H)(H)	N[6](C[6]C[5]C[6]H)(C[6]C[6,6a]HH)(H)	H(C[6]C[5]C[6]N[6])	C[6](C[6]C[6,6a]HH)(C[5]N[5]O[5])(N[6]C[6]H)(H){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[5]C[6]H)(C[6]C[6,6a]HH)(H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[5]C[6]N[6])	107.9780	0.000	1	107.9780	0.000	1	107.9780	0.000	1	108.2095	1.301	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6,6]H)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6,6]H)(H){2|C<3>,3|C<4>,4|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H){2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6a]C[6]N[6])	108.8970	0.000	1	108.8970	0.000	1	108.8970	0.000	1	108.2095	1.301	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CH)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6]HO)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CH)(H){1|C<2>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	112.5010	0.000	1	112.5010	0.000	1	108.5071	3.523	10	108.2095	1.301	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(H){1|N<3>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	108.5610	2.835	2	108.5610	8.040	2	108.5071	3.523	10	108.2095	1.301	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]CH)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]CH)(H){1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	106.6060	0.000	1	106.6060	0.000	1	108.5071	3.523	10	108.2095	1.301	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]ClC)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)2(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6]ClC)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(H){1|Cl<1>,1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.4583	0.038	3	107.4583	0.001	3	108.5071	3.523	10	108.2095	1.301	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)2(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6]H)2(H){3|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	108.9570	0.618	2	108.9570	0.382	2	108.5071	3.523	10	108.2095	1.301	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){2|C<4>,4|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	108.5530	0.000	1	108.5530	0.000	1	108.5071	3.523	10	108.2095	1.301	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:S[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]S[6]H)(H)	N[6](C[6]C[6a]C[6]H)(S[6]N[6,6]OO)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]S[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(S[6]N[6,6]OO)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	107.8510	0.000	1	107.8510	0.000	1	107.5933	0.078	3	108.2095	1.301	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:S[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]S[6]H)(H)	N[6](C[6]C[6a]C[6]H)(S[6]C[6,6a]OO)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]S[6]H)(H){2|H<1>,2|O<1>,4|C<3>}	N[6](C[6]C[6a]C[6]H)(S[6]C[6,6a]OO)(H){2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.6330	0.000	1	107.6330	0.000	1	107.5933	0.078	3	108.2095	1.301	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:S[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(N[6]S[6]H)(H)	N[6](C[6]C[6a]C[6]H)(S[6]C[6,6a]OO)(H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(N[6]S[6]H)(H){2|H<1>,2|O<1>,4|C<3>}	N[6](C[6]C[6a]C[6]H)(S[6]C[6,6a]OO)(H){1|H<1>,1|O<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.2960	0.000	1	107.2960	0.000	1	107.5933	0.078	3	108.2095	1.301	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[4,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[4,6]H)(CNO)(H)	N[6](C[4,6]C[5a,6]C[4]2)(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[5a,6]HH)(N[6]C[4,6]H)(CNO)(H){2|C<3>,2|C<4>}	N[6](C[4,6]C[5a,6]C[4]2)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,2|N<3>,5|H<1>}	H(C[6]C[6]N[6]C)	109.3320	0.000	1	109.3320	0.000	1	108.4352	0.718	4	108.2095	1.301	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[4,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[4,6]H)(COO)(H)	N[6](C[4,6]C[5a,6]C[4]2)(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[5a,6]HH)(N[6]C[4,6]H)(COO)(H){2|C<3>,2|C<4>}	N[6](C[4,6]C[5a,6]C[4]2)(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	H(C[6]C[6]N[6]C)	108.1363	0.736	3	108.1363	0.541	3	108.4352	0.718	4	108.2095	1.301	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]CH)(N[6]C[6]H)(COO)(H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[5a,6]CH)(N[6]C[6]H)(COO)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6]N[6]C)	106.9060	0.000	1	106.9060	0.000	1	108.1637	1.459	21	108.2095	1.301	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(CNO)(H)	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(CNO)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]C)	108.6370	0.000	1	108.6370	0.000	1	108.1637	1.459	21	108.2095	1.301	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H)	N[6](C[6]C[5a,6]CC)(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H){1|C<4>,3|C<3>}	N[6](C[6]C[5a,6]CC)(C[6]C[6]CH)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]C)	108.2890	0.000	1	108.2890	0.000	1	108.1637	1.459	21	108.2095	1.301	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H)	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(H){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]C)	106.4730	0.000	1	106.4730	0.000	1	108.1637	1.459	21	108.2095	1.301	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(COO)(H){1|H<1>,3|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(H){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]C)	109.0345	0.532	2	109.0345	0.284	2	108.1637	1.459	21	108.2095	1.301	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(COO)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(COO)(H){1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(H){2|H<1>,4|C<3>}	H(C[6]C[6]N[6]C)	108.4917	0.692	4	108.4917	0.479	4	108.1637	1.459	21	108.2095	1.301	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]H)(COO)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CH)(N[6]C[6]H)(COO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]N[6]C)	107.8640	0.000	1	107.4485	0.345	2	108.1637	1.459	21	108.2095	1.301	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]H)(COO)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CH)(N[6]C[6]H)(COO)(H){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]N[6]C)	107.0330	0.000	1	107.4485	0.345	2	108.1637	1.459	21	108.2095	1.301	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(N[6]C[6]H)(CNO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]FH)(N[6]C[6]H)(CNO)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|F<1>,3|H<1>}	H(C[6]C[6]N[6]C)	106.2540	0.000	1	106.2540	0.000	1	108.1637	1.459	21	108.2095	1.301	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CNO)(H)	N[6](C[6]C[6]CH)2(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CNO)(H){1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	108.9640	0.000	1	108.9640	0.000	1	108.1637	1.459	21	108.2095	1.301	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(COO)(H)	N[6](C[6]C[6]CH)2(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]H)(COO)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	108.0195	0.066	2	108.0195	0.004	2	108.1637	1.459	21	108.2095	1.301	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCH)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]C)	111.2150	0.000	1	111.2150	0.000	1	108.1637	1.459	21	108.2095	1.301	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6]H)(CNO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]H)(CNO)(H){2|H<1>,4|C<3>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]C)	108.3470	0.000	1	108.3470	0.000	1	108.1637	1.459	21	108.2095	1.301	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]S[6]HH)(N[6]C[6]H)(COO)(H)	N[6](C[6]C[6]CH)2(H)	H(C[6]C[6]N[6]C)	C[6](C[6]S[6]HH)(N[6]C[6]H)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]CH)2(H){1|S<3>,4|H<1>}	H(C[6]C[6]N[6]C)	107.7937	1.641	3	107.7937	2.691	3	108.1637	1.459	21	108.2095	1.301	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:S[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]S[6]H)(CCO)(H)	N[6](C[6]C[6]CH)(S[6]N[6]OO)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CH)(N[6]S[6]H)(CCO)(H){1|N<3>,2|H<1>,2|O<1>}	N[6](C[6]C[6]CH)(S[6]N[6]OO)(H){1|H<1>,3|C<4>}	H(C[6]C[6]N[6]C)	107.7550	0.000	1	107.7550	0.000	1	108.3250	0.296	3	108.2095	1.301	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:S[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]S[6]H)(CCH)(H)	N[6](C[6]C[6]CH)(S[6]O[6]OO)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]S[6]H)(CCH)(H){1|C<4>,1|H<1>,1|O<2>,2|O<1>}	N[6](C[6]C[6]CH)(S[6]O[6]OO)(H){1|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	108.8390	0.000	1	108.8390	0.000	1	108.3250	0.296	3	108.2095	1.301	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:S[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]S[6]H)(COO)(H)	N[6](C[6]C[6]CH)(S[6]N[6]OO)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]S[6]H)(COO)(H){1|N<3>,2|H<1>,2|O<1>}	N[6](C[6]C[6]CH)(S[6]N[6]OO)(H){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	108.3810	0.000	1	108.3810	0.000	1	108.3250	0.296	3	108.2095	1.301	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	C[6]-4:N[6]-3:C-3:H-1:	S[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]S[6]H)(CCH)(H)	N[6](S[6]N[5,6]OO)(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[5,6]HH)(N[6]S[6]H)(CCH)(H){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	N[6](S[6]N[5,6]OO)(C[6]C[6]CH)(H){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.6010	0.000	1	107.6010	0.000	1	107.6010	0.000	1	108.2095	1.301	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	N[5,6]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](N[5,6]C[5,6]C[5]Cu)(C[6]C[6]N[6])(N[6]C[6]H)(H)	N[6](C[6]N[5,6]C[6]H)(C[6]C[5,6]HH)(H)	H(C[6]N[5,6]C[6]N[6])	C[6](N[5,6]C[5,6]C[5]Cu)(C[6]C[6]N[6])(N[6]C[6]H)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	N[6](C[6]N[5,6]C[6]H)(C[6]C[5,6]HH)(H){1|Cu<6>,1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]N[5,6]C[6]N[6])	107.7020	0.000	1	107.7020	0.000	1	107.7020	0.000	1	108.2095	1.301	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:1:	4:	P[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](P[6]C[6a]O[6]O)(C[6a]C[6a]2)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]P[6]H)(H)	H(C[6]C[6a]N[6]P[6])	C[6](P[6]C[6a]O[6]O)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,3|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]P[6]H)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[6a]N[6]P[6])	109.8230	0.000	1	109.8230	0.000	1	109.8230	0.000	1	108.2095	1.301	111	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:2:	4:	C[5]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:C-4:O[6]-2:	C[6]-4:	C[6](C[5]C[5]O[5]H)(C[6]C[6]O)(N[6]O[6]C)(H)	N[6](C[6]C[5]C[6]H)(CC[6a]HH)(O[6]C[6])	H(C[6]C[5]C[6]N[6])	C[6](C[5]C[5]O[5]H)(C[6]C[6]O)(N[6]O[6]C)(H){1|O<2>,2|C<4>,3|H<1>}	N[6](C[6]C[5]C[6]H)(CC[6a]HH)(O[6]C[6]){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[5]C[6]N[6])	110.0410	0.000	1	110.0410	0.000	1	110.0410	0.000	1	110.0410	0.000	1	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:3:	4:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6,6]-4:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6]C[6a])(C[6a]C[6a]2)(H)	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)	H(C[6]C[5,6]C[6a]N[6])	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6]C[6a])(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,1|O<2>,2|O<1>,3|H<1>,7|C<3>}	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(C[6a]C[6a]2){2|C<4>,3|H<1>,7|C<3>}	H(C[6]C[5,6]C[6a]N[6])	108.1450	0.000	1	108.1450	0.000	1	108.1450	0.000	1	107.9623	0.521	13	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:3:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]C[6,6]C[6a]H)2(CCC)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	N[6](C[6]C[6,6]C[6a]H)2(CCC){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]N[6])	107.9360	0.341	2	107.9360	0.116	2	107.9360	0.116	2	107.9623	0.521	13	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:3:	4:	C[6,6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6a]H)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[6a]C)	H(C[6]C[6,6]N[6]C)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(N[6]C[6]C)(COO)(H){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[6a]C){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]N[6]C)	108.6840	0.000	1	108.6840	0.000	1	108.6840	0.000	1	107.9623	0.521	13	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:3:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)2(CCC)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6]H)2(CCC){2|H<1>,7|C<3>}	H(C[6]C[6a]C[6]N[6])	108.0175	0.482	2	108.0175	0.232	2	108.0175	0.232	2	107.9623	0.521	13	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]C)(CNO)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CCO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CC)(N[6]C[6]C)(CNO)(H){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CCO){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]C)	107.4100	0.000	1	107.4100	0.000	1	107.5405	0.362	6	107.9623	0.521	13	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	106.9760	0.000	1	106.9760	0.000	1	107.5405	0.362	6	107.9623	0.521	13	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CNN)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CNN){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	107.7645	0.780	2	107.7645	0.608	2	107.5405	0.362	6	107.9623	0.521	13	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[6]CH)(C[6]N[6]CH)(CC[6a]O)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(COO)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[6](C[6]C[6]CH)(C[6]N[6]CH)(CC[6a]O){1|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	107.0580	0.000	1	107.0580	0.000	1	107.5405	0.362	6	107.9623	0.521	13	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(CNO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(CNO)(H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCO){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]C)	108.2700	0.000	1	108.2700	0.000	1	107.5405	0.362	6	107.9623	0.521	13	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]N)(COO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]N)(COO)(H){2|C<3>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH){1|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	109.5310	0.000	1	109.5310	0.000	1	109.5310	0.000	1	107.9623	0.521	13	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[3,6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[3,6]N[3,6]C[3]H)(N[6]C[6]C)(CNO)(H)	N[6](C[6]C[3,6]CH)(C[6]C[6]CH)(CC[6a]HH)	H(C[6]C[3,6]N[6]C)	C[6](C[3,6]N[3,6]C[3]H)(N[6]C[6]C)(CNO)(H){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[3,6]CH)(C[6]C[6]CH)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[3,6]N[6]C)	105.9840	0.000	1	105.9840	0.000	1	105.9840	0.000	1	108.1119	3.335	85	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[5,6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(N[6]C[6,6]C)(H)	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(CC[6a]HH)	H(C[6]C[5,6]C[6a]N[6])	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(N[6]C[6,6]C)(H){1|C<4>,1|O<2>,2|O<1>,4|H<1>,5|C<3>}	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(CC[6a]HH){1|H<1>,2|C<4>,5|C<3>}	H(C[6]C[5,6]C[6a]N[6])	107.8955	0.446	2	107.8955	0.199	2	107.8955	0.199	2	108.1119	3.335	85	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[5,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(N[6]C[6]S)(H)	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[5,6]C[6a]N[6])	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(N[6]C[6]S)(H){2|C<4>,3|C<3>,7|H<1>}	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6a]N[6])	105.9430	0.000	1	105.9430	0.000	1	105.9430	0.000	1	108.1119	3.335	85	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[5,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[5,6]C)(H)	N[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6,6]C[6a]H)(CH3)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[5,6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[5,6]C)(H){1|C<4>,1|O<2>,2|N<3>,3|C<3>,4|H<1>}	N[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6,6]C[6a]H)(CH3){1|N<2>,1|N<3>,3|C<4>,4|C<3>}	H(C[6]C[6,6]C[6a]N[6])	109.7910	0.000	1	109.7910	0.000	1	109.7910	0.000	1	108.1119	3.335	85	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]C[6,6]C[6a]H)2(CH3)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	N[6](C[6]C[6,6]C[6a]H)2(CH3){2|C<4>,7|C<3>}	H(C[6]C[6,6]C[6a]N[6])	109.0003	1.518	6	109.0003	2.304	6	108.4627	4.609	32	108.1119	3.335	85	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	N[6](C[6]C[6,6]C[6a]H)2(CCHH)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	N[6](C[6]C[6,6]C[6a]H)2(CCHH){2|C<4>,2|N<2>,5|C<3>}	H(C[6]C[6,6]C[6a]N[6])	104.4860	1.059	2	104.4860	1.122	2	108.4627	4.609	32	108.1119	3.335	85	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	N[6](C[6]C[6,6]C[6a]H)2(CH3)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H){1|Br<1>,1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	N[6](C[6]C[6,6]C[6a]H)2(CH3){2|C<4>,2|N<2>,5|C<3>}	H(C[6]C[6,6]C[6a]N[6])	107.8645	0.059	2	108.8186	4.841	20	108.4627	4.609	32	108.1119	3.335	85	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	N[6](C[6]C[6,6]C[6a]H)2(CH3)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	N[6](C[6]C[6,6]C[6a]H)2(CH3){2|C<4>,2|N<2>,5|C<3>}	H(C[6]C[6,6]C[6a]N[6])	108.4985	3.849	2	108.8186	4.841	20	108.4627	4.609	32	108.1119	3.335	85	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	N[6](C[6]C[6,6]C[6a]H)2(CH3)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	N[6](C[6]C[6,6]C[6a]H)2(CH3){2|C<4>,2|N<2>,5|C<3>}	H(C[6]C[6,6]C[6a]N[6])	108.4334	1.930	9	108.8186	4.841	20	108.4627	4.609	32	108.1119	3.335	85	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	N[6](C[6]C[6,6]C[6a]H)2(CH3)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,5|H<1>}	N[6](C[6]C[6,6]C[6a]H)2(CH3){2|N<2>,3|C<4>,4|C<3>}	H(C[6]C[6,6]C[6a]N[6])	111.0328	1.291	5	108.8186	4.841	20	108.4627	4.609	32	108.1119	3.335	85	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	N[6](C[6]C[6,6]C[6a]H)2(CH3)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[6,6]C[6a]H)2(CH3){2|C<4>,2|N<2>,5|C<3>}	H(C[6]C[6,6]C[6a]N[6])	106.2905	0.217	2	108.8186	4.841	20	108.4627	4.609	32	108.1119	3.335	85	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]C[6,6]C[6a]H)2(CH3)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	N[6](C[6]C[6,6]C[6a]H)2(CH3){2|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6,6]C[6a]N[6])	107.4910	0.474	2	107.8653	0.308	4	108.4627	4.609	32	108.1119	3.335	85	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]C[6,6]C[6a]H)2(CH3)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<4>,3|C<3>,7|H<1>}	N[6](C[6]C[6,6]C[6a]H)2(CH3){2|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6,6]C[6a]N[6])	108.2395	0.374	2	107.8653	0.308	4	108.4627	4.609	32	108.1119	3.335	85	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(N[6]C[6]2)(H)	N[6](C[6]C[6]2H)(C[6]C[6]HH)2	H(C[6]C[6]2N[6])	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(N[6]C[6]2)(H){2|C<3>,2|C<4>,5|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)2{1|C<4>,2|C<3>,2|O<2>,5|H<1>}	H(C[6]C[6]2N[6])	105.8890	0.000	1	105.8890	0.000	1	106.5160	0.648	3	108.1119	3.335	85	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(N[6]C[6]2)(H)	N[6](C[6]C[6]2H)(C[6]C[6]HH)2	H(C[6]C[6]2N[6])	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(N[6]C[6]2)(H){2|C<3>,2|C<4>,5|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<3>,6|H<1>}	H(C[6]C[6]2N[6])	106.2350	0.000	1	106.8295	0.707	2	106.5160	0.648	3	108.1119	3.335	85	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(N[6]C[6]2)(H)	N[6](C[6]C[6]2H)(C[6]C[6]HH)2	H(C[6]C[6]2N[6])	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(N[6]C[6]2)(H){2|C<3>,3|C<4>,4|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)2{2|C<3>,2|O<2>,6|H<1>}	H(C[6]C[6]2N[6])	107.4240	0.000	1	106.8295	0.707	2	106.5160	0.648	3	108.1119	3.335	85	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[6]-4:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]C)(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]2H)(SC[6a]OO)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]2H)(C[6]C[6]C)(N[6]C[6]S)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]2H)(SC[6a]OO){2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]2N[6])	107.1140	0.543	2	107.1140	0.295	2	107.1140	0.295	2	108.1119	3.335	85	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6]C)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CCHH)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6]C)(H){3|C<4>,3|H<1>,4|C<3>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CCHH){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	108.6100	0.008	2	108.6100	0.000	2	108.2897	0.184	4	108.1119	3.335	85	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6]C)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CH3)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6]C)(H){1|P<4>,2|H<1>,3|C<4>,4|C<3>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CH3){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	108.2350	0.000	1	107.9695	0.141	2	108.2897	0.184	4	108.1119	3.335	85	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6]C)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CH3)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6]C)(H){1|Pd<4>,2|H<1>,3|C<4>,4|C<3>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CH3){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.7040	0.000	1	107.9695	0.141	2	108.2897	0.184	4	108.1119	3.335	85	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCHH)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|C<3>,5|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCHH){1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	108.8120	0.000	1	108.8120	0.000	1	110.7600	4.439	5	108.1119	3.335	85	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]CH)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<4>,4|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]CH){1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	111.4985	0.887	2	111.4985	0.788	2	110.7600	4.439	5	108.1119	3.335	85	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<4>,4|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]HH){1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	110.9955	3.460	2	110.9955	11.971	2	110.7600	4.439	5	108.1119	3.335	85	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6,6a]CO)(C[6a]C[6a]2)(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(SC[6a]OO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6a]CO)(C[6a]C[6a]2)(N[6]C[6]S)(H){4|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(SC[6a]OO){1|C<4>,1|O<2>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	105.8010	0.000	1	105.8010	0.000	1	107.5819	0.552	9	108.1119	3.335	85	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(SC[6a]OO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]S)(H){4|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(SC[6a]OO){2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.9500	0.372	2	107.9500	0.138	2	107.5819	0.552	9	108.1119	3.335	85	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,2|C<3>,6|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	108.0630	0.000	1	108.0630	0.000	1	107.5819	0.552	9	108.1119	3.335	85	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(C[6a]C[6a]2)(N[6]C[6]S)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(SC[6a]OO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]N[5,6]C[6a]H)(C[6a]C[6a]2)(N[6]C[6]S)(H){4|H<1>,6|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(SC[6a]OO){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.3260	0.274	2	107.3260	0.075	2	107.5819	0.552	9	108.1119	3.335	85	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6a]C[6a]2)(N[6]C[6]S)(H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)(SC[6a]OO)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]N[5a,6]HH)(C[6a]C[6a]2)(N[6]C[6]S)(H){3|H<1>,5|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)(SC[6a]OO){1|N<3>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.9403	0.073	3	107.9403	0.005	3	107.5819	0.552	9	108.1119	3.335	85	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[5,6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[5,6]C)(COO)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[6a]HH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[5,6]HH)(N[6]C[5,6]C)(COO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[6a]HH){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[6]C[6]N[6]C)	106.5410	0.000	1	106.5410	0.000	1	106.5410	0.000	1	108.1119	3.335	85	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[5,5,6]HH)(C[6]C[6]CH)(CC[6a]HH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(COO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6]C[5,5,6]HH)(C[6]C[6]CH)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]C)	106.6340	0.000	1	106.6340	0.000	1	107.6661	2.283	17	108.1119	3.335	85	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(CC[6a]HH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(COO)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(CC[6a]HH){1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]C)	106.2355	0.255	2	106.2355	0.065	2	107.6661	2.283	17	108.1119	3.335	85	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(COO)(H){1|H<1>,3|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CC[6a]HH){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]C)	105.8910	0.156	2	105.8910	0.024	2	107.6661	2.283	17	108.1119	3.335	85	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(CNO)(H)	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCHH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(CNO)(H){2|C<4>,3|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCHH){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	108.6725	0.261	2	108.6725	0.068	2	107.6661	2.283	17	108.1119	3.335	85	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CNO)(H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]HH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CNO)(H){2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]HH){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	108.0245	1.699	2	108.0245	2.887	2	107.6661	2.283	17	108.1119	3.335	85	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CNO)(H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CNO)(H){2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CH3){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	109.5060	0.000	1	109.5060	0.000	1	107.6661	2.283	17	108.1119	3.335	85	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CNS)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CNS)(H){1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(CC[6a]HH){2|H<1>,4|C<3>}	H(C[6]C[6]N[6]C)	105.2170	0.000	1	105.2170	0.000	1	107.6661	2.283	17	108.1119	3.335	85	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(COO)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(COO)(H){1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(CC[6a]HH){2|H<1>,4|C<3>}	H(C[6]C[6]N[6]C)	107.8295	1.870	2	107.8295	3.498	2	107.6661	2.283	17	108.1119	3.335	85	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCH)(H)	N[6](C[6]C[6]CH)2(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCH)(H){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]CH)2(CH3){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	108.2680	0.000	1	108.2680	0.000	1	107.6661	2.283	17	108.1119	3.335	85	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H)	N[6](C[6]C[6]CH)2(CCHH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CNO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6]C[6]CH)2(CCHH){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	109.1535	0.016	2	109.1535	0.000	2	107.6661	2.283	17	108.1119	3.335	85	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(CNO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CNO)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]C)	109.0860	0.000	1	109.0860	0.000	1	107.6661	2.283	17	108.1119	3.335	85	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(CNO)(H)	N[6](C[6]C[5,6]HH)(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(CNO)(H){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]CH)(SC[6a]OO){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	107.5550	0.000	1	107.5550	0.000	1	108.1982	0.635	5	108.1119	3.335	85	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]S)(CCC)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]HH)(N[6]C[6]S)(CCC)(H){1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]C)	107.2330	0.000	1	108.3900	1.006	3	108.1982	0.635	5	108.1119	3.335	85	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]S)(CCC)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]HH)(N[6]C[6]S)(CCC)(H){1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]C)	108.9685	0.063	2	108.3900	1.006	3	108.1982	0.635	5	108.1119	3.335	85	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]S)(COO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]HH)(N[6]C[6]S)(COO)(H){1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]C)	108.2660	0.000	1	108.2660	0.000	1	108.1982	0.635	5	108.1119	3.335	85	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[6]-4:N[6]-3:N-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(NCO)(H)	N[6](C[6]C[6]HH)(C[6]C[6]HN)(CC[6a]HH)	H(C[6]C[6]N[6]N)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(NCO)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]HN)(CC[6a]HH){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]N)	106.0350	0.000	1	106.0350	0.000	1	106.0350	0.000	1	108.1119	3.335	85	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:3:1:	4:4:4:	4:	C[6]-4:N[6]-3:N-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(NHS)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HN)(SC[6a]OO)	H(C[6]C[6]N[6]N)	C[6](C[6]C[6]HH)(N[6]C[6]S)(NHS)(H){2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HN)(SC[6a]OO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]N)	108.3290	0.000	1	108.3290	0.000	1	108.3290	0.000	1	108.1119	3.335	85	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	3:4:1:	4:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5a,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CCHO)(H)	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H)	H(C[6]C[5,6]N[6]C)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CCHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(C[6]C[5,6]N[6]C)	107.9878	0.530	5	107.9303	0.245	6	108.0935	0.789	16	108.1007	0.741	17	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	3:4:1:	4:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5a,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CCHO)(H)	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H)	H(C[6]C[5,6]N[6]C)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CCHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	H(C[6]C[5,6]N[6]C)	107.6430	0.000	1	107.9303	0.245	6	108.0935	0.789	16	108.1007	0.741	17	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	3:4:1:	4:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5a,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CH3)(H)	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H)	H(C[6]C[5,6]N[6]C)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CH3)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	H(C[6]C[5,6]N[6]C)	108.2110	0.000	1	108.2110	0.000	1	108.0935	0.789	16	108.1007	0.741	17	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	3:4:1:	4:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5a,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CHHO)(H)	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H)	H(C[6]C[5,6]N[6]C)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(CHHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	H(C[6]C[5,6]N[6]C)	107.3790	0.000	1	107.3790	0.000	1	108.0935	0.789	16	108.1007	0.741	17	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	3:4:1:	4:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5a,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CCHO)(H)	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H)	H(C[6]C[5,6]N[6]C)	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CCHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	H(C[6]C[5,6]N[6]C)	107.1960	0.008	4	107.1960	0.000	4	108.0935	0.789	16	108.1007	0.741	17	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	3:4:1:	4:	C[5,6]-4:N[6]-3:C-4:H-1:	C[5a,6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CHHO)(H)	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H)	H(C[6]C[5,6]N[6]C)	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(CHHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)(H){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	H(C[6]C[5,6]N[6]C)	109.3850	0.118	4	109.3850	0.014	4	108.0935	0.789	16	108.1007	0.741	17	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	3:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	N[6]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]N[6]H)(CH3)(H)	N[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]N[6]H)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	108.2160	0.000	1	108.2160	0.000	1	108.2160	0.000	1	108.1007	0.741	17	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	3:4:4:	4:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]S)(CH3)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(SC[6a]OO)	H(C[6]C[5,6]N[6]C)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]S)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]N[6]C)	107.2560	0.000	1	107.2560	0.000	1	107.2560	0.000	1	108.1484	2.057	8	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	3:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]S)(CCHH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]S)(CCHH)(H){1|C<2>,1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]C)	107.0010	0.000	1	107.0010	0.000	1	107.0010	0.000	1	108.1484	2.057	8	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	3:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H)	N[6](C[6]C[6a]C[6])(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H){2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6])(C[6]C[6]CH)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	108.1750	0.000	1	108.1750	0.000	1	108.1750	0.000	1	108.1484	2.057	8	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	3:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	N[6,6]-3:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]N[6,6]C)(CH3)(H)	N[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]O[6]H)(N[6]N[6,6]C)(CH3)(H){2|C<3>,2|C<4>}	N[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(CH3){1|C<2>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	109.2290	1.783	3	109.2290	3.178	3	109.2290	3.178	3	108.1484	2.057	8	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	3:4:4:	4:	C[6]-4:N[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(SC[6a]OO)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]N[6]H)(N[6]C[6,6a]S)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(SC[6a]OO){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2N[6])	107.5340	1.294	2	107.5340	1.674	2	107.5340	1.674	2	108.1484	2.057	8	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:2:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:O[6]-2:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]O[6]C)(CH3)(H)	N[6](C[6]C[6]CH)(O[6]C[6])(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]O[6]C)(CH3)(H){1|C<4>,1|H<1>}	N[6](C[6]C[6]CH)(O[6]C[6])(CH3){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]C)	107.3400	0.000	1	107.3400	0.000	1	107.3400	0.000	1	107.3400	0.000	1	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:3:1:	4:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(N[6]N[6]H)(CH3)(H)	N[6](C[6]C[5,6]CH)(N[6]C[6]C)(H)	H(C[6]C[5,6]N[6]C)	C[6](C[5,6]C[5,6]O[5]H)(N[6]N[6]H)(CH3)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[6](C[6]C[5,6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5,6]N[6]C)	105.9760	0.000	1	105.9760	0.000	1	105.9760	0.000	1	105.9760	0.000	1	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]N[6]C)(CH3)(H)	N[6](C[6]C[6]CH)(N[6]C[6]C)(CCCH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]O[6]H)(N[6]N[6]C)(CH3)(H){4|C<3>}	N[6](C[6]C[6]CH)(N[6]C[6]C)(CCCH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]N[6]C)	107.4160	0.000	1	107.4160	0.000	1	107.9170	0.365	9	107.9170	0.365	9	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]N[6]C)(CH3)(H)	N[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]O[6]H)(N[6]N[6]C)(CH3)(H){4|C<3>}	N[6](C[6]C[6]CH)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]N[6]C)	107.8020	0.175	2	107.8020	0.031	2	107.9170	0.365	9	107.9170	0.365	9	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]N[6]C)(CH3)(H)	N[6](C[6]C[6]CH)(N[6]C[6]H)(CCHH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]O[6]H)(N[6]N[6]C)(CH3)(H){1|H<1>,3|C<3>}	N[6](C[6]C[6]CH)(N[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]N[6]C)	107.6985	0.045	2	108.2025	0.683	4	107.9170	0.365	9	107.9170	0.365	9	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]N[6]C)(CH3)(H)	N[6](C[6]C[6]CH)(N[6]C[6]H)(CCHH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]O[6]H)(N[6]N[6]C)(CH3)(H){1|H<1>,3|C<3>}	N[6](C[6]C[6]CH)(N[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|O<2>,1|S<1>}	H(C[6]C[6]N[6]C)	108.7065	1.015	2	108.2025	0.683	4	107.9170	0.365	9	107.9170	0.365	9	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:3:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:N[6]-3:C-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]N[6]C)(CC[6a]HH)(H)	N[6](C[6]C[6]CH)(N[6]C[6]H)(CCCH)	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]HH)(N[6]N[6]C)(CC[6a]HH)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]CH)(N[6]C[6]H)(CCCH){1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]C)	107.7115	0.390	2	107.7115	0.152	2	107.9170	0.365	9	107.9170	0.365	9	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:1:	4:	C[5,5,6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]N[5]O[5])(N[6]C[6]H)(CH3)(H)	N[6](C[6]C[5,5,6]CH)(C[6]C[6]HH)(H)	H(C[6]C[5,5,6]N[6]C)	C[6](C[5,5,6]C[5,5,6]N[5]O[5])(N[6]C[6]H)(CH3)(H){2|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[5,5,6]CH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[5,5,6]N[6]C)	108.2930	0.000	1	108.2930	0.000	1	108.2930	0.000	1	108.7196	2.386	54	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:1:	4:	C[6,6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(CC[5a]HH)(H)	N[6](C[6]C[6,6]CC)(C[6]C[6,6]CH)(H)	H(C[6]C[6,6]N[6]C)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(CC[5a]HH)(H){1|C<3>,2|H<1>,4|C<4>}	N[6](C[6]C[6,6]CC)(C[6]C[6,6]CH)(H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]N[6]C)	107.4440	0.000	1	107.4440	0.000	1	107.4440	0.000	1	108.7196	2.386	54	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[5,6]HO)(N[6]C[6]H)(CH3)(H)	N[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[5,6]HO)(N[6]C[6]H)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]N[6]C)	107.6450	0.000	1	107.6450	0.000	1	108.5820	1.961	46	108.7196	2.386	54	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CC[6a]2O)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CC[6a]2O)(H){1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(H){2|H<1>,4|C<3>}	H(C[6]C[6]N[6]C)	107.7030	0.000	1	107.7030	0.000	1	108.5820	1.961	46	108.7196	2.386	54	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CHHO)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CHHO)(H){1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(H){2|H<1>,4|C<3>}	H(C[6]C[6]N[6]C)	109.5760	0.000	1	109.5760	0.000	1	108.5820	1.961	46	108.7196	2.386	54	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CHHO)(H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CHHO)(H){2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H){2|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	108.6245	0.153	2	108.6245	0.024	2	108.5820	1.961	46	108.7196	2.386	54	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]H)(CCCH)(H)	N[6](C[6]C[6]CH)(C[6]O[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CH)(N[6]C[6]H)(CCCH)(H){1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]O[6]CH)(H){1|H<1>,2|C<4>}	H(C[6]C[6]N[6]C)	106.2180	0.000	1	106.2180	0.000	1	108.5820	1.961	46	108.7196	2.386	54	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]H)(CH3)(H)	N[6](C[6]C[6]CH)2(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CH)(N[6]C[6]H)(CH3)(H){2|H<1>,3|C<4>}	N[6](C[6]C[6]CH)2(H){2|H<1>,3|C<4>}	H(C[6]C[6]N[6]C)	107.7020	0.000	1	107.7020	0.000	1	108.5820	1.961	46	108.7196	2.386	54	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]H)(CHHO)(H)	N[6](C[6]C[6]CH)2(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CH)(N[6]C[6]H)(CHHO)(H){2|H<1>,3|C<4>}	N[6](C[6]C[6]CH)2(H){2|H<1>,3|C<4>}	H(C[6]C[6]N[6]C)	107.5530	0.000	1	107.5530	0.000	1	108.5820	1.961	46	108.7196	2.386	54	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]H)(CHHO)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CH)(N[6]C[6]H)(CHHO)(H){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]N[6]C)	106.4040	0.000	1	106.4040	0.000	1	108.5820	1.961	46	108.7196	2.386	54	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]FF)(N[6]C[6]H)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]FF)(N[6]C[6]H)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	H(C[6]C[6]N[6]C)	109.0935	2.652	2	109.0935	7.035	2	108.5820	1.961	46	108.7196	2.386	54	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(N[6]C[6]H)(CC[6a]CH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]FH)(N[6]C[6]H)(CC[6a]CH)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|F<1>,3|H<1>}	H(C[6]C[6]N[6]C)	108.3770	0.000	1	108.3770	0.000	1	108.5820	1.961	46	108.7196	2.386	54	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC3)(H)	N[6](C[6]C[6]CH)2(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6]C[6]CH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	107.7020	0.000	1	107.7020	0.000	1	108.5820	1.961	46	108.7196	2.386	54	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H)	N[6](C[6]C[6]CH)2(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H){2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)2(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]C)	108.8280	0.000	1	109.0983	0.057	3	108.5820	1.961	46	108.7196	2.386	54	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H)	N[6](C[6]C[6]CH)2(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHH)(H){2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	109.2335	0.070	2	109.0983	0.057	3	108.5820	1.961	46	108.7196	2.386	54	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCHO)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	108.6050	0.000	1	108.6050	0.000	1	108.5820	1.961	46	108.7196	2.386	54	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[5]CO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[5]CO)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	107.5990	0.000	1	107.5990	0.000	1	108.5820	1.961	46	108.7196	2.386	54	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6]HH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6]HH)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	108.7290	0.000	1	108.7290	0.000	1	108.5820	1.961	46	108.7196	2.386	54	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6a]HO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CC[6a]HO)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	107.5320	0.058	2	107.5320	0.003	2	108.5820	1.961	46	108.7196	2.386	54	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CHHO)(H)	N[6](C[6]C[6]CH)2(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CHHO)(H){2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)2(H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	110.8740	0.539	2	110.8740	0.290	2	108.5820	1.961	46	108.7196	2.386	54	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HN)(N[6]C[6]H)(CHHO)(H)	N[6](C[6]C[6]CH)2(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HN)(N[6]C[6]H)(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)2(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]C)	107.1550	0.000	1	107.1550	0.000	1	108.5820	1.961	46	108.7196	2.386	54	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHH)(H)	N[6](C[6]C[6]2H)(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHH)(H){2|C<4>,3|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	108.9800	0.000	1	108.9800	0.000	1	108.5820	1.961	46	108.7196	2.386	54	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHH)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]C)	108.9110	0.000	1	108.9110	0.000	1	108.5820	1.961	46	108.7196	2.386	54	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHH)(H)	N[6](C[6]C[6]CH)2(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)2(H){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]N[6]C)	105.8205	0.825	2	105.8205	0.681	2	108.5820	1.961	46	108.7196	2.386	54	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]H)(CH3)(H)	N[6](C[6]C[6]CH)2(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HO)(N[6]C[6]H)(CH3)(H){2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)2(H){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]C)	107.6450	0.000	1	107.6450	0.000	1	108.5820	1.961	46	108.7196	2.386	54	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]H)(CHHO)(H)	N[6](C[6]C[6]CH)2(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HO)(N[6]C[6]H)(CHHO)(H){1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)2(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]C)	110.3540	0.000	1	110.3540	0.000	1	108.5820	1.961	46	108.7196	2.386	54	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]H)(CCCH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]CH)(N[6]C[6]H)(CCCH)(H){1|C<4>,1|S<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]C)	107.5280	0.000	1	107.5280	0.000	1	108.5820	1.961	46	108.7196	2.386	54	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]H)(CCHH)(H){1|C<4>,1|S<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]C)	109.8580	0.000	1	109.8580	0.000	1	108.5820	1.961	46	108.7196	2.386	54	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(CC[6]HH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]H)(CC[6]HH)(H){2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]C)	108.2470	0.000	1	108.2470	0.000	1	108.5820	1.961	46	108.7196	2.386	54	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)(H){1|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]C)	108.7380	0.000	1	108.8930	0.048	2	108.5820	1.961	46	108.7196	2.386	54	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<4>,4|H<1>}	H(C[6]C[6]N[6]C)	109.0480	0.000	1	108.8930	0.048	2	108.5820	1.961	46	108.7196	2.386	54	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)(H)	N[6](C[6]C[6]CH)2(H)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6]CH)2(H){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]C)	109.3918	1.326	11	109.3918	1.758	11	108.5820	1.961	46	108.7196	2.386	54	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:S[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]S[6]H)(CHHO)(H)	N[6](C[6]C[6]CH)(S[6]O[6]OO)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HO)(N[6]S[6]H)(CHHO)(H){1|O<2>,2|H<1>,2|O<1>}	N[6](C[6]C[6]CH)(S[6]O[6]OO)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6]C)	108.5495	0.279	2	108.5495	0.078	2	108.5495	0.078	2	108.7196	2.386	54	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:1:	4:	C[6]-4:N[6]-3:C-4:H-1:	S[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(N[6]S[6]H)(CCHH)(H)	N[6](S[6]C[6,6a]OO)(C[6]C[6]CH)(H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]C[6a]H)(N[6]S[6]H)(CCHH)(H){2|O<1>,4|C<3>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]CH)(H){1|H<1>,3|C<3>}	H(C[6]C[6]N[6]C)	107.8660	0.000	1	107.8660	0.000	1	107.8660	0.000	1	108.7196	2.386	54	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:1:	4:	P[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](P[6]C[6a]O[6]O)(N[6]C[6]H)(CH3)(H)	N[6](C[6]C[6]CC)(C[6]P[6]CH)(H)	H(C[6]N[6]P[6]C)	C[6](P[6]C[6a]O[6]O)(N[6]C[6]H)(CH3)(H){2|C<3>,3|C<4>}	N[6](C[6]C[6]CC)(C[6]P[6]CH)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]N[6]P[6]C)	111.7960	1.769	3	111.7960	3.129	3	111.7960	3.129	3	108.7196	2.386	54	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:2:	4:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:O[6]-2:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(N[6]O[6]C)(CH3)(H)	N[6](C[6]C[5,6]CH)(CC[6a]HH)(O[6]C[6])	H(C[6]C[5,6]N[6]C)	C[6](C[5,6]C[5,6]O[5]H)(N[6]O[6]C)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	N[6](C[6]C[5,6]CH)(CC[6a]HH)(O[6]C[6]){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[5,6]N[6]C)	109.5170	0.000	1	109.4520	0.008	2	109.4520	0.008	2	108.6690	1.420	5	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:2:	4:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6]-4:C-4:O[6]-2:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(N[6]O[6]C)(CH3)(H)	N[6](C[6]C[5,6]CH)(CC[6a]HH)(O[6]C[6])	H(C[6]C[5,6]N[6]C)	C[6](C[5,6]C[5,6]O[5]H)(N[6]O[6]C)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	N[6](C[6]C[5,6]CH)(CC[6a]HH)(O[6]C[6]){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]N[6]C)	109.3870	0.000	1	109.4520	0.008	2	109.4520	0.008	2	108.6690	1.420	5	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:2:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]O)(CH3)(H)	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]CH)(OH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[5a,6]HH)(N[6]C[6]O)(CH3)(H){1|C<4>,3|C<3>}	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]CH)(OH){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]C)	106.6290	0.000	1	106.6290	0.000	1	108.1470	1.814	3	108.6690	1.420	5	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:2:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]O)(CHHO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HO)(N[6]C[6]O)(CHHO)(H){1|C<3>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(OC){1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]C)	108.9060	0.413	2	108.9060	0.171	2	108.1470	1.814	3	108.6690	1.420	5	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	N[6](C[6]C[6]CH)2(CC[6a]O)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)2(CC[6a]O){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	105.9140	0.000	1	105.9140	0.000	1	106.7623	0.247	9	106.9854	0.717	10	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6]CC)(C[6]C[6]CH)(CNO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]CC)(C[6]C[6]CH)(CNO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	107.6040	0.000	1	107.6040	0.000	1	106.7623	0.247	9	106.9854	0.717	10	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6]CH)2(CC[6a]O)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)2(CC[6a]O){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	107.3560	0.000	1	107.3560	0.000	1	106.7623	0.247	9	106.9854	0.717	10	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6]CH)2(CNN)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)2(CNN){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	106.6645	0.166	6	106.6645	0.027	6	106.7623	0.247	9	106.9854	0.717	10	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:3:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]N)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(NHH)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]N)(CH3)(H){1|C<4>,1|N<3>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(NHH){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]C)	108.9930	0.000	1	108.9930	0.000	1	108.9930	0.000	1	106.9854	0.717	10	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[3x6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[3x6]C[6,6]2O[6])(N[6]C[6]C)(CCHH)(H)	N[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[3x6]N[6]C)	C[6](C[3x6]C[6,6]2O[6])(N[6]C[6]C)(CCHH)(H){2|C<4>,3|O<2>,4|H<1>}	N[6](C[6]C[3x6]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[3x6]N[6]C)	108.1615	0.371	2	108.1615	0.138	2	108.1615	0.138	2	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Fe)(N[6]C[6]C)(CCHH)(H)	N[6](C[6]C[5,6]CH)(C[6]P[6]HH)(CH3)	H(C[6]C[5,6]N[6]C)	C[6](C[5,6]C[5,6]C[5]Fe)(N[6]C[6]C)(CCHH)(H){1|P<4>,2|C<4>,3|H<1>}	N[6](C[6]C[5,6]CH)(C[6]P[6]HH)(CH3){1|Fe<10>,2|C<3>,2|C<4>}	H(C[6]C[5,6]N[6]C)	107.6810	0.000	1	107.6810	0.000	1	108.4677	0.474	3	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]C)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]CH)	H(C[6]C[5,6]N[6]C)	C[6](C[5,6]C[5,6]N[5]C)(N[6]C[6]C)(CH3)(H){1|N<2>,2|C<4>,3|H<1>}	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[5,6]N[6]C)	108.9590	0.000	1	108.9590	0.000	1	108.4677	0.474	3	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CCHO)(H)	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]CH)	H(C[6]C[5,6]N[6]C)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(CCHO)(H){1|O<2>,2|C<4>,3|H<1>}	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5,6]N[6]C)	108.7630	0.000	1	108.7630	0.000	1	108.4677	0.474	3	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[5,6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(CC[6a]HH)(H)	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[5,6]N[6]C)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(CC[6a]HH)(H){1|N<3>,2|C<4>,5|H<1>}	N[6](C[6]C[5,6]CH)(C[6]C[6]HH)(SC[6a]OO){2|C<4>,3|H<1>}	H(C[6]C[5,6]N[6]C)	107.8260	0.000	1	107.8260	0.000	1	107.8260	0.000	1	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CH3)	H(C[6]C[6,6]N[6]C)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(CH3)(H){1|C<4>,1|N<4>,6|H<1>}	N[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(CH3){2|H<1>,3|C<4>}	H(C[6]C[6,6]N[6]C)	106.7670	1.071	2	106.7670	1.146	2	106.7670	1.146	2	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6,6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(CCHH)(H)	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6,6]N[6]C)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(CCHH)(H){2|C<4>,2|O<2>,4|H<1>}	N[6](C[6]C[6,6]CH)(C[6]C[6]HH)(SC[6a]OO){2|C<4>,3|H<1>}	H(C[6]C[6,6]N[6]C)	107.4030	0.000	1	107.4030	0.000	1	107.4030	0.000	1	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[3,6]HO)(N[6]C[6]C)(CClHH)(H)	N[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CC[6a]CH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[3,6]HO)(N[6]C[6]C)(CClHH)(H){1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CC[6a]CH){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]N[6]C)	109.0580	0.891	2	109.0580	0.794	2	107.6571	2.033	46	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]CH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]C)(CH3)(H){2|H<1>,4|C<3>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]CH){1|H<1>,3|C<3>}	H(C[6]C[6]N[6]C)	107.3330	0.000	1	107.3330	0.000	1	107.6571	2.033	46	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CC[6a]2O)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CC[6a]2O)(H){1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(CC[6a]HH){2|H<1>,4|C<3>}	H(C[6]C[6]N[6]C)	106.2425	0.064	2	106.2425	0.004	2	107.6571	2.033	46	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]C)(CC[5a]HH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CC)(N[6]C[6]C)(CC[5a]HH)(H){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>}	H(C[6]C[6]N[6]C)	107.0130	0.000	1	107.0130	0.000	1	107.6571	2.033	46	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(CC[5a]HH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CC[5a]HH)(H){2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.2002	0.186	4	107.2002	0.035	4	107.6571	2.033	46	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[6a]HH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6]N[6]C)	107.7125	0.209	2	107.7125	0.044	2	107.6571	2.033	46	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCCH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCCH)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	106.9520	0.000	1	106.9520	0.000	1	107.6571	2.033	46	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	106.8970	0.000	1	106.8970	0.000	1	107.6571	2.033	46	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	108.9960	0.000	1	108.9960	0.000	1	107.6571	2.033	46	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCHO)(H){1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	108.3230	0.000	1	108.3230	0.000	1	107.6571	2.033	46	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[5]CO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[5]CO)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	104.3940	0.000	1	104.3940	0.000	1	107.6571	2.033	46	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CClHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CClHH)(H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	107.8080	0.000	1	107.8080	0.000	1	107.6571	2.033	46	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CFeCH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CFeCH)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	108.9270	0.000	1	108.9270	0.000	1	107.6571	2.033	46	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]2H)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]2H){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	107.8460	0.000	1	107.8460	0.000	1	107.6571	2.033	46	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<3>,4|H<1>}	H(C[6]C[6]N[6]C)	106.7870	0.000	1	106.7870	0.000	1	107.6571	2.033	46	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6]CH)2(CC[6a]HH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)2(CC[6a]HH){1|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	106.6520	0.000	1	106.6520	0.000	1	107.6571	2.033	46	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6]CH)2(CFeNN)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)(H){2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)2(CFeNN){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	106.8667	0.198	4	106.8667	0.039	4	107.6571	2.033	46	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]C)	106.3790	0.000	1	106.3790	0.000	1	107.6571	2.033	46	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]N[6]C)	108.6420	0.000	1	108.6420	0.000	1	107.6571	2.033	46	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]HH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]HH){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]C)	108.7560	0.000	1	108.7560	0.000	1	107.6571	2.033	46	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]N[6]C)	108.8890	0.000	1	108.8890	0.000	1	107.6571	2.033	46	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]C)	111.2460	0.000	1	110.3090	0.768	3	107.6571	2.033	46	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]N[6]C)	109.8405	0.469	2	110.3090	0.768	3	107.6571	2.033	46	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]C)(CH3)(H){1|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[6]N[6]C)	109.5910	0.000	1	109.5910	0.000	1	107.6571	2.033	46	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6a]O[6]O)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]O[6]O)(N[6]C[6]C)(CH3)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH){1|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]N[6]C)	107.1300	0.000	1	107.1300	0.000	1	107.6571	2.033	46	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6]HH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6]HH)(H){2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]C)	107.4520	0.000	1	108.0040	0.609	2	107.6571	2.033	46	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6]HH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6]HH)(H){2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]N[6]C)	108.5560	0.000	1	108.0040	0.609	2	107.6571	2.033	46	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]C)	104.4860	0.000	1	104.4860	0.000	1	107.6571	2.033	46	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]C)	103.8390	0.000	1	103.8390	0.000	1	107.6571	2.033	46	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]C)(CH3)(H){2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]C)	109.2150	0.000	1	109.2150	0.000	1	107.6571	2.033	46	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(CBrHH)(H)	N[6](C[6]C[6]CH)2(CC3)	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]HH)(N[6]C[6]C)(CBrHH)(H){1|H<1>,2|C<4>}	N[6](C[6]C[6]CH)2(CC3){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]C)	107.8418	0.204	4	107.8418	0.042	4	107.6571	2.033	46	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(CC[6a]HH)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[6a]HH)	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]HH)(N[6]C[6]C)(CC[6a]HH)(H){1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[6a]HH){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]C)	108.2810	0.000	1	108.2810	0.000	1	107.6571	2.033	46	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(CC[6a]HN)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]HH)(N[6]C[6]C)(CC[6a]HN)(H){1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3){1|O<2>,4|H<1>}	H(C[6]C[6]N[6]C)	108.4960	0.000	1	108.4960	0.000	1	107.6571	2.033	46	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(C[6]C[6]CH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]2)(CH3)(H){2|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(C[6]C[6]CH){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]N[6]C)	107.3260	0.000	1	107.3260	0.000	1	107.9620	0.809	2	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(CH3)(H)	N[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]HH)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]2)(CH3)(H){1|N<3>,2|C<4>,5|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]HH){1|N<3>,4|C<4>,5|H<1>}	H(C[6]C[6]N[6]C)	108.5980	0.000	1	108.5980	0.000	1	107.9620	0.809	2	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HO)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,2|S<2>}	N[6](C[6]C[6]CH)(C[6]C[6]HO)(SC[6a]OO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	106.5000	0.000	1	106.5000	0.000	1	107.4862	0.811	43	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(CH3)(H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(SC[3]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(CH3)(H){1|H<1>,3|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(SC[3]OO){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]C)	106.9290	0.000	1	106.9290	0.000	1	107.4862	0.811	43	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(N[6]C[6]S)(CCHH)(H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]CC)(N[6]C[6]S)(CCHH)(H){2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(SC[6a]OO){4|C<3>}	H(C[6]C[6]N[6]C)	108.1570	0.000	1	108.1570	0.000	1	107.4862	0.811	43	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCCH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCCH)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|Br<1>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	108.1340	0.000	1	108.1340	0.000	1	107.4862	0.811	43	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]S)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CC)(N[6]C[6]S)(CCHH)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]N[6]C)	107.4940	0.000	1	107.4940	0.000	1	107.4862	0.811	43	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CH)(N[6]C[6]S)(CCHH)(H){1|Cl<1>,1|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	107.5450	0.000	1	107.5450	0.000	1	107.4862	0.811	43	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(CC[6a]HH)(H)	N[6](C[6]C[6]CH)(C[6]O[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CH)(N[6]C[6]S)(CC[6a]HH)(H){1|O<2>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]O[6]HH)(SC[6a]OO){1|H<1>,2|C<4>}	H(C[6]C[6]N[6]C)	107.3630	0.000	1	107.3630	0.000	1	107.4862	0.811	43	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(CH3)(H)	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]CH)(N[6]C[6]S)(CH3)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(SC[6a]OO){1|H<1>,4|C<4>}	H(C[6]C[6]N[6]C)	108.1550	0.000	1	108.1550	0.000	1	107.4862	0.811	43	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCCH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCCH)(H){1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	107.1510	0.000	1	107.1510	0.000	1	107.4862	0.811	43	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCFH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCFH)(H){1|C<3>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,3|H<1>}	H(C[6]C[6]N[6]C)	108.0730	0.000	1	108.0730	0.000	1	107.4862	0.811	43	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H){1|C<4>,1|I<1>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	103.8690	0.000	1	106.2877	4.392	3	107.4862	0.811	43	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){2|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	107.5640	0.000	1	106.2877	4.392	3	107.4862	0.811	43	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H){2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	107.4300	0.000	1	106.2877	4.392	3	107.4862	0.811	43	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HO)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HO)(SC[6a]OO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]C)	107.5180	0.000	1	107.5180	0.000	1	107.4862	0.811	43	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H)	N[6](C[6]C[6]CH)2(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCHH)(H){2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)2(SC[6a]OO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	107.1000	0.000	1	107.1000	0.000	1	107.4862	0.811	43	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CC[6a]HH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CC[6a]HH)(H){1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	107.5150	0.000	1	107.5150	0.000	1	107.4862	0.811	43	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CC[6a]HH)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CC[6a]HH)(H){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]C)	107.2550	0.000	1	107.2550	0.000	1	107.4862	0.811	43	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H)	N[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)(SC[6a]OO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6]N[6]C)	107.1885	0.120	2	107.1885	0.014	2	107.4862	0.811	43	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]C)	107.3870	0.000	1	107.6287	0.051	3	107.4862	0.811	43	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]C)	107.7495	0.120	2	107.6287	0.051	3	107.4862	0.811	43	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]C)	107.3530	0.000	1	107.3530	0.000	1	107.4862	0.811	43	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	107.7120	0.000	1	107.7120	0.000	1	107.4862	0.811	43	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HN)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H){1|C<4>,1|N<3>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HN)(SC[6a]OO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	106.1590	0.000	1	106.1590	0.000	1	107.4862	0.811	43	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H)	N[6](C[6]C[6]CH)2(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CHHO)(H){2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)2(SC[6a]OO){1|C<4>,4|H<1>}	H(C[6]C[6]N[6]C)	107.4880	0.000	1	107.4880	0.000	1	107.4862	0.811	43	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]S)(CHHO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HO)(N[6]C[6]S)(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]N[6]C)	107.1800	0.000	1	107.1800	0.000	1	107.4862	0.811	43	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HS)(N[6]C[6]S)(CCHH)(H)	N[6](C[6]C[6]CH)2(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HS)(N[6]C[6]S)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)2(SC[6a]OO){1|C<3>,1|S<3>,2|H<1>}	H(C[6]C[6]N[6]C)	107.6615	0.506	2	107.6615	0.256	2	107.4862	0.811	43	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(N[6]C[6]S)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]C[6]O)(N[6]C[6]S)(CH3)(H){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]C)	107.4020	0.000	1	107.4020	0.000	1	107.4862	0.811	43	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(CCHH)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(CCHH)(H){1|H<1>,1|N<3>,3|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6]N[6]C)	107.2530	0.000	1	107.2530	0.000	1	107.4862	0.811	43	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]N[5a,6]CH)(N[6]C[6]S)(CCHH)(H)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]N[5a,6]CH)(N[6]C[6]S)(CCHH)(H){1|H<1>,3|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]N[6]C)	107.6810	0.000	1	107.6810	0.000	1	107.4862	0.811	43	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]N[5a,6]CH)(N[6]C[6]S)(CCHH)(H)	N[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]N[5a,6]CH)(N[6]C[6]S)(CCHH)(H){1|C<3>,1|N<2>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6]C)	107.5980	0.000	1	107.5980	0.000	1	107.4862	0.811	43	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]S)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]CH)(N[6]C[6]S)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]C)	108.8800	0.000	1	108.7105	0.057	2	107.4862	0.811	43	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]S)(CCHH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]CH)(N[6]C[6]S)(CCHH)(H){1|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]C)	108.5410	0.000	1	108.7105	0.057	2	107.4862	0.811	43	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]S)(CCCH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]S)(CCCH)(H){2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|N<3>,4|H<1>}	H(C[6]C[6]N[6]C)	108.1920	0.000	1	108.1920	0.000	1	107.4862	0.811	43	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]S)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]S)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]C)	108.1090	0.000	1	108.1455	0.003	2	107.4862	0.811	43	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]S)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]N[6]HH)(N[6]C[6]S)(CH3)(H){1|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]C)	108.1820	0.000	1	108.1455	0.003	2	107.4862	0.811	43	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]O[6]CC)(N[6]C[6]S)(CHHO)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(SO3)	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]CC)(N[6]C[6]S)(CHHO)(H){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(SO3){1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6]N[6]C)	105.8620	0.000	2	105.8620	0.000	2	107.4862	0.811	43	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]S)(CC[6a]HH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]HH)(N[6]C[6]S)(CC[6a]HH)(H){1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]C)	108.7400	0.000	1	109.0325	0.171	2	107.4862	0.811	43	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]S)(CC[6a]HH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]HH)(N[6]C[6]S)(CC[6a]HH)(H){1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]C)	109.3250	0.000	1	109.0325	0.171	2	107.4862	0.811	43	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]S)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]N[6]C)	C[6](C[6]O[6]HH)(N[6]C[6]S)(CH3)(H){1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]C)	108.0500	0.000	1	108.0500	0.000	1	107.4862	0.811	43	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:S[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]S[6]C)(CH3)(H)	N[6](C[6]C[6]CH)(S[6]N[6]OO)(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]S[6]C)(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	N[6](C[6]C[6]CH)(S[6]N[6]OO)(CH3){2|C<4>,2|H<1>}	H(C[6]C[6]N[6]C)	107.8280	0.000	1	107.8280	0.000	1	107.8280	0.000	1	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	C[6]-4:N[6]-3:C-4:H-1:	S[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]O)(N[6]S[6]C)(CH3)(H)	N[6](S[6]C[6,6a]OO)(C[6]C[6]CH)(CH3)	H(C[6]C[6]N[6]C)	C[6](C[6]C[6,6a]C[6a]O)(N[6]S[6]C)(CH3)(H){2|O<1>,4|C<3>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]CH)(CH3){1|O<2>,3|C<3>}	H(C[6]C[6]N[6]C)	107.2350	0.000	1	107.2350	0.000	1	107.2350	0.000	1	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:3:4:1:	4:4:4:	4:	N[6]-4:N[6]-3:Si-4:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](N[6]C[6]AlC)(N[6]C[6]C)(SiC3)(H)	N[6](C[6]N[6]SiH)(C[6]N[6]HH)(CH3)	H(C[6]N[6]2Si)	C[6](N[6]C[6]AlC)(N[6]C[6]C)(SiC3)(H){1|N<3>,4|H<1>}	N[6](C[6]N[6]SiH)(C[6]N[6]HH)(CH3){1|Al<4>,3|C<4>}	H(C[6]N[6]2Si)	105.9080	0.000	1	105.9080	0.000	1	105.9080	0.000	1	107.5876	1.343	103	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:3:1:	4:4:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6]C[6]2H)(C[6]C[6]CH)(H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<1>,4|C<4>,5|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2N[6])	108.8660	0.000	1	108.8660	0.000	1	108.9180	0.005	2	108.1492	1.313	4	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:3:1:	4:4:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]2H)(H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<3>,3|C<4>,6|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]2H)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2N[6])	108.9700	0.000	1	108.9700	0.000	1	108.9180	0.005	2	108.1492	1.313	4	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:3:1:	4:4:1:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	S[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(N[6]S[6]H)(H)	N[6](S[6]C[6,6a]OO)(C[6]C[6]2H)(H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(N[6]S[6]H)(H){2|C<3>,2|C<4>,2|O<1>,4|H<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]2H)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2N[6])	107.3805	1.252	2	107.3805	1.568	2	107.3805	1.568	2	108.1492	1.313	4	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(N[6]C[6]2)(H)	N[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)2	H(C[6]C[6,6]C[6]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(N[6]C[6]2)(H){6|C<4>,8|H<1>}	N[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)2{2|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]N[6])	106.1540	0.000	1	106.1540	0.000	1	106.1540	0.000	1	106.4104	2.757	26	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(N[6]C[6]2)(H)	N[6](C[6]C[6]2H)(C[6]C[6]HH)2	H(C[6]C[6]2N[6])	C[6](C[6]C[6]CH)(C[6]C[6]HH)(N[6]C[6]2)(H){3|C<4>,8|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)2{4|C<4>,7|H<1>}	H(C[6]C[6]2N[6])	105.5900	1.711	2	105.5900	2.928	2	106.4906	2.556	22	106.4104	2.757	26	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H)	N[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]HH)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H){1|N<3>,3|C<4>,7|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]CH)(C[6]N[6]HH){1|N<3>,4|C<4>,5|H<1>}	H(C[6]C[6]2N[6])	106.7370	0.000	1	106.7370	0.000	1	106.4906	2.556	22	106.4104	2.757	26	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H)	N[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]HH)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H){1|N<3>,2|C<4>,8|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]HH){1|N<3>,4|C<4>,5|H<1>}	H(C[6]C[6]2N[6])	107.0580	0.000	1	107.0580	0.000	1	106.4906	2.556	22	106.4104	2.757	26	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H)	N[6](C[6]C[6]2H)(C[6]C[6]HH)2	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[6]C[6]2)(H){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)2{1|N<3>,1|O<2>,2|C<4>,7|H<1>}	H(C[6]C[6]2N[6])	107.4170	0.000	1	107.4170	0.000	1	106.4906	2.556	22	106.4104	2.757	26	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[6]C[6]2)(H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(C[6]C[6]CH)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[6]C[6]2)(H){1|C<3>,3|C<4>,7|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(C[6]C[6]CH){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6]2N[6])	106.5450	0.000	1	106.5450	0.000	1	106.4906	2.556	22	106.4104	2.757	26	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	N[6](C[6]C[6,6]HH)2(C[6]C[6]2H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){3|C<4>,8|H<1>}	N[6](C[6]C[6,6]HH)2(C[6]C[6]2H){3|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6]2N[6])	106.2580	0.000	1	106.2580	0.000	1	106.4906	2.556	22	106.4104	2.757	26	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	N[6](C[6]C[6]2H)(C[6]C[6]HH)2	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|N<3>,2|C<4>,8|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)2{3|C<4>,8|H<1>}	H(C[6]C[6]2N[6])	106.4600	0.000	1	107.2550	1.550	3	106.4906	2.556	22	106.4104	2.757	26	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	N[6](C[6]C[6]2H)(C[6]C[6]HH)2	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){3|C<4>,8|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)2{1|N<3>,2|C<4>,8|H<1>}	H(C[6]C[6]2N[6])	108.6900	0.000	1	107.2550	1.550	3	106.4906	2.556	22	106.4104	2.757	26	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	N[6](C[6]C[6]2H)(C[6]C[6]HH)2	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){3|C<4>,8|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)2{2|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6]2N[6])	106.6150	0.000	1	107.2550	1.550	3	106.4906	2.556	22	106.4104	2.757	26	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]2H)(C[6]C[6]HH)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|C<3>,3|C<4>,7|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]2H)(C[6]C[6]HH){1|N<3>,2|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6]2N[6])	106.5460	0.000	1	106.5460	0.000	1	106.4906	2.556	22	106.4104	2.757	26	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(C[6]C[6]2H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(C[6]C[6]2H){2|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6]2N[6])	108.6330	0.000	1	108.6330	0.000	1	106.4906	2.556	22	106.4104	2.757	26	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H)	N[6](C[6]N[5,6]HH)2(C[6]C[6]2H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HH)2(N[6]C[6]2)(H){1|C<4>,2|N<3>,8|H<1>}	N[6](C[6]N[5,6]HH)2(C[6]C[6]2H){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2N[6])	108.6515	0.145	2	108.6515	0.021	2	106.4906	2.556	22	106.4104	2.757	26	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]HW)(N[6]C[6]2)(H)	N[6](C[6]C[6]2H)(C[6]C[6]HH)2	H(C[6]C[6]2N[6])	C[6](C[6]C[6]HO)(C[6]C[6]HW)(N[6]C[6]2)(H){1|C<3>,2|C<4>,7|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)2{1|W<7>,2|C<4>,2|O<2>,6|H<1>}	H(C[6]C[6]2N[6])	106.4700	0.000	2	106.4700	0.000	2	106.4906	2.556	22	106.4104	2.757	26	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]2)(H)	N[6](C[6]N[6,6]HH)2(C[6]C[6]2H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]2)(H){1|N<3>,1|N<4>,3|C<4>,8|H<1>}	N[6](C[6]N[6,6]HH)2(C[6]C[6]2H){1|N<3>,3|H<1>,6|C<4>}	H(C[6]C[6]2N[6])	102.7415	0.687	2	105.0685	3.379	6	106.4906	2.556	22	106.4104	2.757	26	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]2)(H)	N[6](C[6]N[6,6]HH)2(C[6]C[6]2H)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]2)(H){1|N<3>,1|N<4>,3|C<4>,8|H<1>}	N[6](C[6]N[6,6]HH)2(C[6]C[6]2H){1|N<3>,4|H<1>,5|C<4>}	H(C[6]C[6]2N[6])	106.2320	0.243	4	105.0685	3.379	6	106.4906	2.556	22	106.4104	2.757	26	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[3,6]C[6]H)(C[6]C[3,6]HH)(N[6]C[6]S)(H)	N[6](C[6]C[3,6]HH)(C[6]C[6]2H)(SC[6a]OO)	H(C[6]C[6]2N[6])	C[6](C[6]C[3,6]C[6]H)(C[6]C[3,6]HH)(N[6]C[6]S)(H){1|N<3>,2|C<3>,4|C<4>,4|H<1>}	N[6](C[6]C[3,6]HH)(C[6]C[6]2H)(SC[6a]OO){4|C<4>,4|H<1>}	H(C[6]C[6]2N[6])	108.2580	0.000	1	108.2580	0.000	1	105.6305	13.808	2	106.4104	2.757	26	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:3:1:	4:4:4:	4:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]S)(H)	N[6](C[6]C[6]2H)(C[6]C[6]HH)(SC[6a]OO)	H(C[6]C[6]2N[6])	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]2N[6])	103.0030	0.000	1	103.0030	0.000	1	105.6305	13.808	2	106.4104	2.757	26	109.2968	1.029	12020	109.1863	1.136	20077
466	856	951	0:SP3_SP-NON_SP3	C[6]	N[6]	H	4:4:3:1:	4:4:4:	4:	Si[5]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](Si[5]N[5]2I)(C[6]C[6]HH)(N[6]C[6]C)(H)	N[6](C[6]Si[5]C[6]H)(C[6]C[6]HH)(CH3)	H(C[6]Si[5]C[6]N[6])	C[6](Si[5]N[5]2I)(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	N[6](C[6]Si[5]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,1|I<1>,2|N<3>,4|H<1>}	H(C[6]Si[5]C[6]N[6])	106.4630	0.000	1	106.4630	0.000	1	106.4630	0.000	1	106.4104	2.757	26	109.2968	1.029	12020	109.1863	1.136	20077