466	466	826	6:SP3_SP3_SP3	C[6]	C[6]	As[6]	4:4:1:1:	4:4:4:4:	4:4:4:4:	As[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	Ga[6]-4:C[6]-4:C-4:C-4:	C[6](As[6]Ga[6]CC)(C[6]C[6]CC)(H)2	C[6](C[6]As[6]HH)2(CAsHH)(CH3)	As[6](Ga[6]As[6]Cl2)(C[6]C[6]HH)(CH3)2	C[6](As[6]Ga[6]CC)(C[6]C[6]CC)(H)2{1|As<4>,2|Cl<1>,2|H<1>}	C[6](C[6]As[6]HH)2(CAsHH)(CH3){1|Ga<4>,4|C<4>}	As[6](Ga[6]As[6]Cl2)(C[6]C[6]HH)(CH3)2{5|C<4>}	119.4595	1.395	2	119.4595	1.946	2	119.4595	1.946	2	119.4595	1.946	2	119.4595	1.946	2	119.4595	1.946	2
466	466	830	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	F	4:4:3:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:F-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]O)(F)	C[6,6](C[3x6]C[6,6]2F)(C[6,6]N[3x6]HH)(H)2	F(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]O)(F){1|N<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2F)(C[6,6]N[3x6]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	F(C[3x6]C[6,6]3)	109.9990	1.418	2	109.9990	2.012	2	109.9990	2.012	2	109.9990	2.012	2	108.9158	2.301	20	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	F	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:F-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(F)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2F)(H)2	F(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(F){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2F)(H)2{1|C<3>,1|N<2>,2|C<4>,6|H<1>}	F(C[3x6]C[6,6]3)	108.3545	0.052	2	108.3545	0.003	2	108.0078	0.238	9	108.7954	2.299	18	108.9158	2.301	20	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	F	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:F-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(F)	C[6,6](C[3x6]C[6,6]2Br)(C[3x6]C[6,6]2F)(H)2	F(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(F){1|Br<1>,1|Cl<1>,1|I<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2Br)(C[3x6]C[6,6]2F)(H)2{2|C<4>,8|H<1>}	F(C[3x6]C[6,6]3)	107.5670	0.000	1	107.5670	0.000	1	108.0078	0.238	9	108.7954	2.299	18	108.9158	2.301	20	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	F	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:F-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(F)	C[6,6](C[3x6]C[6,6]2Cl)(C[3x6]C[6,6]2F)(H)2	F(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(F){1|Br<1>,1|Cl<1>,1|I<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2Cl)(C[3x6]C[6,6]2F)(H)2{2|C<4>,8|H<1>}	F(C[3x6]C[6,6]3)	108.9990	0.000	1	108.9990	0.000	1	108.0078	0.238	9	108.7954	2.299	18	108.9158	2.301	20	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	F	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:F-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(F)	C[6,6](C[3x6]C[6,6]2F)(C[3x6]C[6,6]2H)(H)2	F(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(F){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2F)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	F(C[3x6]C[6,6]3)	107.8620	0.334	2	107.7467	0.057	4	108.0078	0.238	9	108.7954	2.299	18	108.9158	2.301	20	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	F	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:F-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(F)	C[6,6](C[3x6]C[6,6]2F)(C[3x6]C[6,6]2H)(H)2	F(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(F){3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2F)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	F(C[3x6]C[6,6]3)	107.6315	0.083	2	107.7467	0.057	4	108.0078	0.238	9	108.7954	2.299	18	108.9158	2.301	20	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	F	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:F-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[3x6]HH)3(F)	C[6,6](C[3x6]C[6,6]2F)(C[3x6]C[6,6]2I)(H)2	F(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[3x6]HH)3(F){1|Br<1>,1|Cl<1>,1|I<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2F)(C[3x6]C[6,6]2I)(H)2{2|C<4>,8|H<1>}	F(C[3x6]C[6,6]3)	107.8080	0.000	1	107.8080	0.000	1	108.0078	0.238	9	108.7954	2.299	18	108.9158	2.301	20	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[3x6]	C[6,6]	F	4:4:4:1:	4:4:1:1:	4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:F-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:	C[3x6](C[6,6]C[6,6]HH)3(F)	C[6,6](C[3x6]C[6,6]2F)(C[6,6]N[3x6]HH)(H)2	F(C[3x6]C[6,6]3)	C[3x6](C[6,6]C[6,6]HH)3(F){1|N<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2F)(C[6,6]N[3x6]HH)(H)2{2|C<4>,5|H<1>}	F(C[3x6]C[6,6]3)	109.5830	1.803	9	109.5830	3.253	9	109.5830	3.253	9	108.7954	2.299	18	108.9158	2.301	20	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[4x6]	C[3x6]	F	4:3:3:1:	4:4:1:1:	4:	C[3x6]-4:C[3x6]-3:C[6,6]-3:F-1:	C[4,3x6]-4:C[4x6]-4:H-1:H-1:	C[4x6]-4:	C[4x6](C[3x6]C[4,3x6]HH)(C[3x6]C[4,3x6]O)(C[6,6]C[6,6]F)(F)	C[3x6](C[4,3x6]C[4,3x6]C[4,6]H)(C[4x6]C[3x6]C[6,6]F)(H)2	F(C[4x6]C[3x6]2C[6,6])	C[4x6](C[3x6]C[4,3x6]HH)(C[3x6]C[4,3x6]O)(C[6,6]C[6,6]F)(F){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	C[3x6](C[4,3x6]C[4,3x6]C[4,6]H)(C[4x6]C[3x6]C[6,6]F)(H)2{1|C<3>,1|C<4>,1|O<1>,2|F<1>,2|H<1>}	F(C[4x6]C[3x6]2C[6,6])	112.8860	0.000	1	112.8860	0.000	1	112.8860	0.000	1	112.8860	0.000	1	112.8860	0.000	1	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	F	4:2:1:1:	4:4:2:1:	4:	C[3x6]-4:O[6,6]-2:F-1:H-1:	C[3,6,6]-4:C[6,6]-4:O[6,6]-2:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]O[6,6]H)(O[6,6]C[3x6])(F)(H)	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[6,6]O[6,6]FH)(O[6,6]C[6,6])(H)	F(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[3,6,6]O[6,6]H)(O[6,6]C[3x6])(F)(H){1|O<2>,2|C<4>,2|H<1>}	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[6,6]O[6,6]FH)(O[6,6]C[6,6])(H){1|C<4>,3|H<1>}	F(C[6,6]C[3x6]O[6,6]H)	107.7087	0.676	3	107.7087	0.457	3	107.7087	0.457	3	107.7087	0.457	3	109.0023	2.298	8	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	F	4:2:1:1:	4:4:4:1:	4:	C[3x6]-4:O[6,6]-2:F-1:H-1:	C[3,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(O[6,6]C[3x6])(F)(H)	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[6,6]O[6,6]FH)(C[6,6]O[6,6]HH)(H)	F(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(O[6,6]C[3x6])(F)(H){1|C<4>,2|O<2>,4|H<1>}	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[6,6]O[6,6]FH)(C[6,6]O[6,6]HH)(H){1|C<4>,1|H<1>}	F(C[6,6]C[3x6]O[6,6]H)	108.8050	0.000	1	108.8050	0.000	1	108.8050	0.000	1	109.9630	2.153	4	109.0023	2.298	8	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	F	4:2:1:1:	4:4:4:1:	4:	C[3x6]-4:O[6,6]-2:F-1:H-1:	C[5,6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(F)(H)	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]O[6,6]FH)(C[6,6]O[6,6]HH)(H)	F(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(F)(H){1|C<4>,2|O<2>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]O[5]H)(C[6,6]O[6,6]FH)(C[6,6]O[6,6]HH)(H){1|H<1>,1|O<2>,2|C<4>}	F(C[6,6]C[3x6]O[6,6]H)	110.3490	1.528	3	110.3490	2.336	3	110.3490	2.336	3	109.9630	2.153	4	109.0023	2.298	8	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6,6]	C[3x6]	F	4:3:4:1:	4:4:3:1:	4:	C[3x6]-4:C[6,6]-3:C-4:F-1:	C[3x6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CC[6a]HH)(F)	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CF)(C[6,6]C[6,6]H)(H)	F(C[6,6]C[3x6]C[6,6]C)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(CC[6a]HH)(F){1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]CF)(C[6,6]C[6,6]H)(H){1|F<1>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	F(C[6,6]C[3x6]C[6,6]C)	109.0400	0.000	1	109.0400	0.000	1	109.0400	0.000	1	109.0400	0.000	1	109.0023	2.298	8	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	F	4:3:4:1:	4:2:2:3:	4:	C[6,6]-4:C[6]-3:C[6]-4:F-1:	C[6,6]-4:O[6]-2:O[6]-2:C-3:	C[6,6]-4:	C[6,6](C[6,6]O[6]2C)(C[6]C[6,6a]O)(C[6]C[6]CH)(F)	C[6,6](C[6,6]C[6]2F)(O[6]C[6,6a])(O[6]C[6])(CCH)	F(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]O[6]2C)(C[6]C[6,6a]O)(C[6]C[6]CH)(F){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2F)(O[6]C[6,6a])(O[6]C[6])(CCH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	F(C[6,6]C[6,6]C[6]2)	106.9900	0.000	1	106.9900	0.000	1	106.9900	0.000	1	106.9900	0.000	1	105.7706	2.864	23	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	F	4:4:1:1:	4:3:2:1:	4:	C[6,6]-4:C[6,6]-4:F-1:H-1:	C[6,6]-4:N[6]-3:O[6]-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6]O[6]H)(F)(H)	C[6,6](C[6,6]C[6,6]FH)(N[6]C[6]C)(O[6]C[6])(H)	F(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6]O[6]H)(F)(H){1|F<1>,2|C<4>,3|C<3>}	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>}	F(C[6,6]C[6,6]2H)	107.8630	0.000	1	107.8630	0.000	1	107.8630	0.000	1	107.8630	0.000	1	105.7706	2.864	23	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	F	4:4:1:1:	4:4:3:1:	4:	C[6,6]-4:C[6,6]-4:F-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6]O[6]H)(F)(H)	C[6,6](C[6,6]C[6,6]FH)(C[6,6]C[6]3)(C[6]C[6]F)(H)	F(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6]O[6]H)(F)(H){1|F<1>,2|C<4>,3|C<3>}	C[6,6](C[6,6]C[6,6]FH)(C[6,6]C[6]3)(C[6]C[6]F)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	F(C[6,6]C[6,6]2H)	110.9640	0.000	1	110.9640	0.000	1	110.9640	0.000	1	110.9640	0.000	1	105.7706	2.864	23	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	F	4:4:3:1:	4:3:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:F-1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(F)	C[6,6](C[6,6]C[6,6]C[6]F)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	F(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(F){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]F)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	F(C[6,6]C[6,6]2C[6])	104.8910	0.255	2	104.8910	0.065	2	104.8910	0.065	2	104.8910	0.065	2	105.7706	2.864	23	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	F	4:4:3:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-3:F-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(F)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H)	F(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(F){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|H<1>,5|C<4>}	F(C[6,6]C[6,6]2C[6])	107.1335	0.680	2	107.1335	0.462	2	107.1335	0.462	2	107.1335	0.462	2	105.7706	2.864	23	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	F	4:4:4:1:	4:3:3:4:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:F-1:	C[6,6]-4:C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(F)	C[6,6](C[6,6]C[6,6]C[6]F)(C[6,6]C[6]2)(C[6]C[6]H)(CH3)	F(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(F){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]F)(C[6,6]C[6]2)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	F(C[6,6]C[6,6]2C[6])	104.1631	0.272	8	104.1631	0.074	8	104.1631	0.074	8	104.1631	0.074	8	105.7706	2.864	23	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	F	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:F-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(F)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H)	F(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(F){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,5|C<4>,5|H<1>}	F(C[6,6]C[6,6]2C[6])	106.0749	0.399	7	106.1941	0.250	8	106.1941	0.250	8	106.1941	0.250	8	105.7706	2.864	23	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6,6]	C[6,6]	F	4:4:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:F-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(F)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H)	F(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(F){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H){1|O<2>,3|C<3>,4|C<4>,5|H<1>}	F(C[6,6]C[6,6]2C[6])	107.0290	0.000	1	106.1941	0.250	8	106.1941	0.250	8	106.1941	0.250	8	105.7706	2.864	23	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6,6]	C[6]	F	3:4:3:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:C[6]-3:F-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(F)	C[6](C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H)2	F(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(C[6]C[6]H)(F){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	F(C[6,6]C[6,6]C[6]2)	105.2203	1.189	6	105.2203	1.413	6	105.2203	1.413	6	105.2203	1.413	6	104.1564	3.582	15	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6,6]	C[6]	F	4:3:4:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-3:C[6]-4:F-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:	C[6,6](C[6,6]O[6]2C)(C[6]C[6,6a]O)(C[6]C[6]CH)(F)	C[6](C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(CH3)(H)	F(C[6,6]C[6,6]C[6]2)	C[6,6](C[6,6]O[6]2C)(C[6]C[6,6a]O)(C[6]C[6]CH)(F){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,2|C<3>,3|O<2>}	F(C[6,6]C[6,6]C[6]2)	108.5940	0.000	1	108.5940	0.000	1	108.5940	0.000	1	108.5940	0.000	1	104.1564	3.582	15	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6,6]	C[6]	F	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:F-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(F)	C[6](C[6,6]C[6,6]2F)(C[6]C[5,6]HH)(OC)(H)	F(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(F){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2F)(C[6]C[5,6]HH)(OC)(H){1|H<1>,3|C<3>,4|C<4>}	F(C[6,6]C[6,6]2C[6])	101.9020	0.000	1	101.9020	0.000	1	102.8038	0.281	8	102.8038	0.281	8	104.1564	3.582	15	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6,6]	C[6]	F	4:4:4:1:	4:4:2:1:	4:	C[6,6]-4:C[6,6]-4:C[6]-4:F-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(F)	C[6](C[6,6]C[6,6]2F)(C[6]C[5,6]HH)(OH)(H)	F(C[6,6]C[6,6]2C[6])	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(F){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2F)(C[6]C[5,6]HH)(OH)(H){1|H<1>,2|C<3>,5|C<4>}	F(C[6,6]C[6,6]2C[6])	102.9326	0.415	7	102.9326	0.173	7	102.8038	0.281	8	102.8038	0.281	8	104.1564	3.582	15	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6,6]	F	4:4:1:1:	2:4:4:2:	4:	C[6,6]-4:C[6]-4:F-1:F-1:	O[6,6]-2:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HO)(F)2	C[6,6](O[6,6]C[6,6])(C[6]C[6]FF)(C[6]C[6]HH)(OC)	F(C[6]C[6,6]C[6]F)	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HO)(F)2{1|O<2>,2|C<4>,3|H<1>}	C[6,6](O[6,6]C[6,6])(C[6]C[6]FF)(C[6]C[6]HH)(OC){1|O<2>,2|C<4>,4|H<1>}	F(C[6]C[6,6]C[6]F)	109.0665	0.619	2	109.0665	0.383	2	108.6557	0.915	14	108.6557	0.915	14	108.8953	1.307	29	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6,6]	F	4:4:1:1:	2:4:4:2:	4:	C[6,6]-4:C[6]-4:F-1:F-1:	O[6,6]-2:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HO)(F)2	C[6,6](O[6,6]C[6,6])(C[6]C[6]FF)(C[6]C[6]HH)(OH)	F(C[6]C[6,6]C[6]F)	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HO)(F)2{1|O<2>,2|C<4>,3|H<1>}	C[6,6](O[6,6]C[6,6])(C[6]C[6]FF)(C[6]C[6]HH)(OH){1|O<2>,2|C<4>,4|H<1>}	F(C[6]C[6,6]C[6]F)	108.4809	1.072	10	108.5872	1.011	12	108.6557	0.915	14	108.6557	0.915	14	108.8953	1.307	29	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6,6]	F	4:4:1:1:	2:4:4:2:	4:	C[6,6]-4:C[6]-4:F-1:F-1:	O[6,6]-2:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HO)(F)2	C[6,6](O[6,6]C[6,6])(C[6]C[6]FF)(C[6]C[6]HH)(OH)	F(C[6]C[6,6]C[6]F)	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HO)(F)2{1|O<2>,2|C<4>,3|H<1>}	C[6,6](O[6,6]C[6,6])(C[6]C[6]FF)(C[6]C[6]HH)(OH){1|O<2>,2|H<1>,4|C<4>}	F(C[6]C[6,6]C[6]F)	109.1190	0.304	2	108.5872	1.011	12	108.6557	0.915	14	108.6557	0.915	14	108.8953	1.307	29	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6,6]	F	4:4:1:1:	2:4:4:3:	4:	C[6,6]-4:C[6]-4:F-1:F-1:	O[6,6]-2:C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]N)(C[6]C[6]HO)(F)2	C[6,6](O[6,6]C[6,6])(C[6]C[6]FF)(C[6]C[6]HO)(NHH)	F(C[6]C[6,6]C[6]F)	C[6](C[6,6]O[6,6]C[6]N)(C[6]C[6]HO)(F)2{2|C<4>,2|H<1>,2|O<2>}	C[6,6](O[6,6]C[6,6])(C[6]C[6]FF)(C[6]C[6]HO)(NHH){1|O<2>,2|H<1>,4|C<4>}	F(C[6]C[6,6]C[6]F)	108.3745	3.743	2	108.3745	14.008	2	108.3745	14.008	2	108.3745	14.008	2	108.8953	1.307	29	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6,6]	F	4:4:1:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-4:F-1:F-1:	N[6,6]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6]HO)(F)2	C[6,6](N[6,6]C[6,6]C)(C[6]C[6]FF)(C[6]C[6]HH)(OH)	F(C[6]C[6,6]C[6]F)	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6]HO)(F)2{1|O<2>,3|C<4>,3|H<1>}	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>}	F(C[6]C[6,6]C[6]F)	109.0605	0.172	2	109.0605	0.030	2	108.5373	0.553	4	108.5373	0.553	4	108.8953	1.307	29	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6,6]	F	4:4:1:1:	3:4:4:2:	4:	C[6,6]-4:C[6]-4:F-1:F-1:	N[6,6]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6]HO)(F)2	C[6,6](N[6,6]C[6,6]H)(C[6]C[6]FF)(C[6]C[6]HH)(OH)	F(C[6]C[6,6]C[6]F)	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6]HO)(F)2{1|O<2>,2|C<4>,4|H<1>}	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>}	F(C[6]C[6,6]C[6]F)	108.0140	0.731	2	108.0140	0.535	2	108.5373	0.553	4	108.5373	0.553	4	108.8953	1.307	29	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6,6]	F	4:4:1:1:	4:2:4:2:	4:	C[5,6]-4:C[6,6]-4:F-1:F-1:	C[6]-4:O[6,6]-2:C[6]-4:O-2:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]O[6,6]C[6]O)(F)2	C[6,6](C[6]C[5,6]FF)(O[6,6]C[6,6])(C[6]C[6]HO)(OH)	F(C[6]C[5,6]C[6,6]F)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]O[6,6]C[6]O)(F)2{2|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6]C[5,6]FF)(O[6,6]C[6,6])(C[6]C[6]HO)(OH){1|O<2>,2|H<1>,4|C<4>}	F(C[6]C[5,6]C[6,6]F)	109.1525	0.439	2	109.1525	0.193	2	109.1525	0.193	2	109.1525	0.193	2	108.8953	1.307	29	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6,6]	F	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:F-1:F-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(F)2	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]FF)(O[6]C[6])(H)	F(C[6]C[6,6]C[6]F)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(F)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]FF)(O[6]C[6])(H){1|O<2>,3|C<4>,4|H<1>}	F(C[6]C[6,6]C[6]F)	110.0435	0.326	4	110.0435	0.106	4	110.0435	0.106	4	109.8795	0.138	6	108.8953	1.307	29	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6,6]	F	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:F-1:H-1:	C[6,6]-4:C[6]-4:O[6]-2:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]FH)(F)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]FH)(O[6]C[6])(H)	F(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]FH)(F)(H){2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]FH)(O[6]C[6])(H){1|F<1>,1|O<2>,3|C<4>,3|H<1>}	F(C[6]C[6,6]C[6]H)	109.5515	0.217	2	109.5515	0.047	2	109.5515	0.047	2	109.8795	0.138	6	108.8953	1.307	29	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6,6]	F	4:4:1:1:	4:4:4:1:	4:	C[6,6]-4:C[6]-4:F-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(F)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]FH)(H)	F(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(F)(H){2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]FH)(H){2|C<3>,3|C<4>,6|H<1>}	F(C[6]C[6,6]C[6]H)	108.3040	0.000	1	108.3040	0.000	1	108.3040	0.000	1	108.3040	0.000	1	108.8953	1.307	29	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	2:4:1:1:	4:4:1:1:	4:	O[6]-2:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(F)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]FH)(H)2	F(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(F)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]FH)(H)2{4|C<3>}	F(C[6]C[6]O[6]H)	109.0350	0.000	1	109.0350	0.000	1	109.0350	0.000	1	109.0350	0.000	1	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	3:3:4:1:	4:4:1:1:	4:	C[6]-3:C[6a]-3:C[6]-4:F-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]HH)(F)	C[6](C[6]C[6a]C[6]F)(C[6]C[6,6a]HH)(H)2	F(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]HH)(F){4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6]F)(C[6]C[6,6a]HH)(H)2{1|O<1>,4|C<3>}	F(C[6]C[6a]C[6]2)	108.4770	0.092	2	108.4770	0.008	2	108.4770	0.008	2	108.4770	0.008	2	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	3:4:1:1:	2:4:3:1:	4:	C[6]-3:C[6]-4:F-1:F-1:	O[6]-2:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]O[6]HN)(F)2	C[6](O[6]C[6,6a])(C[6]C[6]FF)(NCC)(H)	F(C[6]C[6]2F)	C[6](C[6]C[6,6a]O)(C[6]O[6]HN)(F)2{2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]FF)(NCC)(H){1|O<1>,2|C<3>}	F(C[6]C[6]2F)	111.3535	1.374	2	111.3535	1.888	2	111.3535	1.888	2	111.3535	1.888	2	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	3:4:1:1:	3:4:2:2:	4:	C[6]-3:C[6]-4:F-1:F-1:	C[6]-3:C[6]-4:O-2:O-2:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]OO)(F)2	C[6](C[6]C[6,6a]O)(C[6]C[6]FF)(OH)2	F(C[6]C[6]2F)	C[6](C[6]C[6,6a]O)(C[6]C[6]OO)(F)2{1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]FF)(OH)2{1|O<1>,2|C<3>}	F(C[6]C[6]2F)	110.1845	0.340	2	110.1845	0.116	2	110.1845	0.116	2	110.1845	0.116	2	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	3:4:1:1:	4:2:4:1:	4:	C[6,6a]-3:C[6]-4:F-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(F)(H)	C[6](C[6]C[6,6a]FH)(O[6]C[6])(CCHH)(H)	F(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(F)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]FH)(O[6]C[6])(CCHH)(H){1|O<1>,2|C<3>}	F(C[6]C[6,6a]C[6]H)	108.4610	0.000	1	108.4610	0.000	1	109.0887	0.299	3	109.0887	0.299	3	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	3:4:1:1:	4:2:4:1:	4:	C[6,6a]-3:C[6]-4:F-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(F)(H)	C[6](C[6]C[6,6a]FH)(O[6]C[6])(CH3)(H)	F(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(F)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]FH)(O[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	F(C[6]C[6,6a]C[6]H)	109.3410	0.000	1	109.3410	0.000	1	109.0887	0.299	3	109.0887	0.299	3	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	3:4:1:1:	4:2:4:1:	4:	C[6,6a]-3:C[6]-4:F-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(F)(H)	C[6](C[6]C[6,6a]FH)(O[6]C[6])(CHHO)(H)	F(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(F)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]FH)(O[6]C[6])(CHHO)(H){1|O<1>,2|C<3>}	F(C[6]C[6,6a]C[6]H)	109.4640	0.000	1	109.4640	0.000	1	109.0887	0.299	3	109.0887	0.299	3	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	3:4:1:1:	4:3:1:1:	4:	N[5a,6]-3:C[6]-4:F-1:F-1:	C[6]-4:C[6]-3:F-1:F-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]FF)(F)2	C[6](C[6]N[5a,6]FF)(C[6]C[6]C)(F)2	F(C[6]N[5a,6]C[6]F)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]FF)(F)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]N[5a,6]FF)(C[6]C[6]C)(F)2{3|C<3>}	F(C[6]N[5a,6]C[6]F)	109.8735	1.733	4	109.8735	3.003	4	109.8735	3.003	4	109.8735	3.003	4	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	3:4:1:1:	4:3:2:1:	4:	C[6,6a]-3:C[6]-4:F-1:F-1:	C[6]-4:N[6]-3:O-2:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HO)(F)2	C[6](C[6]C[6,6a]FF)(N[6]C[6]H)(OC)(H)	F(C[6]C[6,6a]C[6]F)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HO)(F)2{2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]FF)(N[6]C[6]H)(OC)(H){1|O<1>,2|C<3>}	F(C[6]C[6,6a]C[6]F)	108.4735	0.889	4	108.4735	0.790	4	108.4735	0.790	4	108.4735	0.790	4	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	3:4:1:1:	4:3:4:1:	4:	C[6,6a]-3:C[6]-4:F-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(F)(H)	C[6](C[6]C[6,6a]FH)(N[6]C[6]C)(CCHH)(H)	F(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(F)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]FH)(N[6]C[6]C)(CCHH)(H){2|C<3>,2|H<1>}	F(C[6]C[6,6a]C[6]H)	109.2410	0.000	1	109.2410	0.000	1	109.2410	0.000	1	109.2410	0.000	1	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	3:4:1:1:	4:4:1:1:	4:	C[6,6]-3:C[6]-4:F-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(F)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]FH)(H)2	F(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(F)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]FH)(H)2{1|C<3>,2|H<1>,4|C<4>}	F(C[6]C[6,6]C[6]H)	109.4470	0.000	1	109.4470	0.000	1	109.4470	0.000	1	108.1573	4.828	18	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	3:4:1:1:	4:4:1:1:	4:	C[6,6a]-3:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FF)(F)2	C[6](C[6]C[6,6a]FF)(C[6]C[6]FF)(F)2	F(C[6]C[6,6a]C[6]F)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FF)(F)2{1|C<4>,1|O<2>,2|C<3>,2|F<1>}	C[6](C[6]C[6,6a]FF)(C[6]C[6]FF)(F)2{2|C<3>,2|F<1>}	F(C[6]C[6,6a]C[6]F)	106.7780	1.767	10	106.7780	3.121	10	106.7780	3.121	10	108.1573	4.828	18	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	3:4:1:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(F)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]FH)(H)2	F(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(F)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]FH)(H)2{1|O<1>,2|C<3>}	F(C[6]C[6]2H)	109.3900	0.000	1	109.3900	0.000	1	109.3900	0.000	1	108.1573	4.828	18	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	3:4:1:1:	4:4:1:1:	4:	N[5a,6]-3:C[6]-4:F-1:F-1:	C[5,6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5,6]FF)(F)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[5a,6]FF)(F)2	F(C[6]N[5a,6]C[6]F)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5,6]FF)(F)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[5a,6]FF)(F)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	F(C[6]N[5a,6]C[6]F)	110.2865	1.930	2	110.2865	3.724	2	110.2865	3.724	2	108.1573	4.828	18	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	3:4:1:1:	4:4:1:1:	4:	N[5a,6]-3:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]FF)(F)2	C[6](C[6]N[5a,6]FF)(C[6]C[6]CH)(F)2	F(C[6]N[5a,6]C[6]F)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]FF)(F)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]N[5a,6]FF)(C[6]C[6]CH)(F)2{1|C<4>,1|O<2>,2|C<3>}	F(C[6]N[5a,6]C[6]F)	110.1125	1.292	2	110.1125	1.669	2	109.9102	2.231	4	108.1573	4.828	18	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	3:4:1:1:	4:4:1:1:	4:	N[5a,6]-3:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]FF)(F)2	C[6](C[6]N[5a,6]FF)(C[6]C[6]HH)(F)2	F(C[6]N[5a,6]C[6]F)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]FF)(F)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]N[5a,6]FF)(C[6]C[6]HH)(F)2{1|C<4>,1|H<1>,2|C<3>}	F(C[6]N[5a,6]C[6]F)	109.7080	2.205	2	109.7080	4.861	2	109.9102	2.231	4	108.1573	4.828	18	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	3:4:1:1:	4:4:4:1:	4:	C[6,6a]-3:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(F)(H)	C[6](C[6]C[6,6a]FH)(C[6]C[6]HH)(SC[6a]OO)(H)	F(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(F)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6a]FH)(C[6]C[6]HH)(SC[6a]OO)(H){2|C<3>,2|H<1>}	F(C[6]C[6,6a]C[6]H)	109.4700	0.000	1	109.4700	0.000	1	109.4700	0.000	1	109.4700	0.000	1	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	3:4:3:1:	3:4:4:2:	4:	C[6]-3:C[6]-4:C-3:F-1:	C[6]-3:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]CO)(COO)(F)	C[6](C[6]C[6a]C[6])(C[6]C[6]CF)(CH3)(OH)	F(C[6]C[6]2C)	C[6](C[6]C[6a]C[6])(C[6]C[6]CO)(COO)(F){1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CF)(CH3)(OH){1|H<1>,4|C<3>}	F(C[6]C[6]2C)	105.7320	0.000	1	105.7320	0.000	1	105.7320	0.000	1	105.7320	0.000	1	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	3:4:3:1:	4:3:3:1:	4:	C[6,6a]-3:C[6]-4:C-3:F-1:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(COO)(F)	C[6](C[6]C[6,6a]CF)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	F(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(COO)(F){1|H<1>,6|C<3>}	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>}	F(C[6]C[6,6a]C[6]C)	105.8590	0.000	1	105.8590	0.000	1	105.8590	0.000	1	105.8590	0.000	1	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-3:F-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(F)	C[6](C[6]C[6a]C[6]F)(C[6]C[6]HH)(H)2	F(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(F){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6]F)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	F(C[6]C[6a]C[6]2)	107.1270	0.000	1	107.1270	0.000	1	107.1075	0.001	2	107.1075	0.001	2	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	3:4:3:1:	4:4:1:1:	4:	C[6a]-3:C[6]-4:C[6]-3:F-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(F)	C[6](C[6]C[6a]C[6]F)(C[6]C[6]HH)(H)2	F(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(F){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]F)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	F(C[6]C[6a]C[6]2)	107.0880	0.000	1	107.0880	0.000	1	107.1075	0.001	2	107.1075	0.001	2	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	3:4:4:1:	4:4:1:1:	4:	C[6]-3:C[6]-4:C-4:F-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HN)(F)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CF)(H)2	F(C[6]C[6]2C)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]HN)(F){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]CF)(H)2{1|O<1>,2|C<3>}	F(C[6]C[6]2C)	107.8150	0.444	2	107.8150	0.197	2	107.8150	0.197	2	107.8150	0.197	2	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:2:1:1:	4:3:4:1:	4:	C[6]-4:O[6]-2:F-1:F-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(F)2	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]O[6]FF)(H)	F(C[6]C[6]O[6]F)	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(F)2{1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]O[6]FF)(H){1|H<1>,1|N<3>,4|C<3>}	F(C[6]C[6]O[6]F)	111.8925	0.151	2	111.8925	0.023	2	111.8925	0.023	2	111.8925	0.023	2	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:F-1:F-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(F)2	C[6](C[6]C[6]HO)(C[6]O[6]FF)(OC)(H)	F(C[6]C[6]O[6]F)	C[6](C[6]C[6]HO)(O[6]C[6])(F)2{1|C<4>,1|F<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]FF)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	F(C[6]C[6]O[6]F)	110.8235	1.742	2	110.8235	3.033	2	110.8235	3.033	2	109.4500	1.447	7	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:F-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(F)(H)	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OC)(H)	F(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(F)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	F(C[6]C[6]O[6]H)	108.8600	0.062	2	108.9733	0.087	4	108.9006	0.092	5	109.4500	1.447	7	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:F-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(F)(H)	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OC)(H)	F(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(F)(H){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	F(C[6]C[6]O[6]H)	109.4070	0.000	1	108.9733	0.087	4	108.9006	0.092	5	109.4500	1.447	7	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:F-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(F)(H)	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OC)(H)	F(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(F)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	F(C[6]C[6]O[6]H)	108.7660	0.000	1	108.9733	0.087	4	108.9006	0.092	5	109.4500	1.447	7	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:2:1:1:	4:4:2:1:	4:	C[6]-4:O[6]-2:F-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(F)(H)	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OH)(H)	F(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(F)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]O[6]FH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	F(C[6]C[6]O[6]H)	108.6100	0.000	1	108.6100	0.000	1	108.9006	0.092	5	109.4500	1.447	7	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:3:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:F-1:F-1:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(F)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]FF)(H)	F(C[6]C[6]2F)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(F)2{1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]FF)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	F(C[6]C[6]2F)	110.9355	0.856	2	110.9355	0.733	2	110.9355	0.733	2	110.9355	0.733	2	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:3:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-3:F-1:F-1:	N[5a,6]-3:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]N[5a,6]FF)(C[6]C[6]C)(F)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]FF)(F)2	F(C[6]C[6]2F)	C[6](C[6]N[5a,6]FF)(C[6]C[6]C)(F)2{3|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]FF)(F)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	F(C[6]C[6]2F)	107.0898	0.930	4	107.0898	0.864	4	107.0898	0.864	4	107.0898	0.864	4	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:3:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-3:F-1:H-1:	C[5]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[5]N[6]H)(C[6]N[6]O)(F)(H)	C[6](C[5]C[5,6a]C[5])(C[6]C[6]FH)(N[6]C[6]C)(H)	F(C[6]C[6]2H)	C[6](C[6]C[5]N[6]H)(C[6]N[6]O)(F)(H){2|C<4>,3|C<3>}	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>}	F(C[6]C[6]2H)	109.1610	0.000	1	109.1610	0.000	1	109.1610	0.000	1	109.1610	0.000	1	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:3:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:F-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(F)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HO)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(F)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HO)(H){1|F<1>,3|C<3>,4|H<1>}	F(C[6]C[6]2H)	108.3990	0.000	1	108.3990	0.000	1	108.3990	0.000	1	108.3990	0.000	1	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:3:1:1:	4:2:3:1:	4:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(F)(H)	C[6](C[6]C[6]FH)(O[6]C[6])(CCH)(H)	F(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(F)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]FH)(O[6]C[6])(CCH)(H){1|C<3>,1|H<1>,1|O<1>}	F(C[6]C[6]2H)	108.2990	0.115	2	108.2990	0.013	2	108.2990	0.013	2	108.2990	0.013	2	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:3:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-3:F-1:F-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(F)2	C[6](C[6]C[6]FF)(O[6]C[6])(CC[5]HH)(H)	F(C[6]C[6]2F)	C[6](C[6]O[6]CH)(C[6]C[6]H)(F)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]FF)(O[6]C[6])(CC[5]HH)(H){1|C<3>,1|H<1>,1|O<1>}	F(C[6]C[6]2F)	109.4695	2.313	2	109.4695	5.350	2	109.4695	5.350	2	109.4695	5.350	2	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:3:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]H)(F)(H)	C[6](C[6]C[6]FH)(N[6]C[6]S)(H)2	F(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(F)(H){1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]FH)(N[6]C[6]S)(H)2{1|C<3>,3|H<1>}	F(C[6]C[6]2H)	108.6660	0.000	1	108.6660	0.000	1	108.6660	0.000	1	108.6660	0.000	1	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:3:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]N[6]O)(F)(H)	C[6](C[6]C[6]FH)(N[6]C[6]C)(CC[6a]2O)(H)	F(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]N[6]O)(F)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]FH)(N[6]C[6]C)(CC[6a]2O)(H){1|N<3>,2|O<1>}	F(C[6]C[6]2H)	113.0350	0.000	1	113.0350	0.000	1	113.0350	0.000	1	113.0350	0.000	1	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:3:1:1:	4:3:4:2:	4:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:N[6]-3:C-4:O-2:	C[6]-4:	C[6](C[6]N[6]CO)(C[6]N[6]O)(F)(H)	C[6](C[6]C[6]FH)(N[6]C[6]C)(CH3)(OC)	F(C[6]C[6]2H)	C[6](C[6]N[6]CO)(C[6]N[6]O)(F)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]FH)(N[6]C[6]C)(CH3)(OC){1|N<3>,2|O<1>}	F(C[6]C[6]2H)	110.8900	0.000	1	110.8900	0.000	1	110.8900	0.000	1	110.8900	0.000	1	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:F-1:F-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]C[6]O)(F)2	C[6](C[6]C[6]FF)2(F)2	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)(C[6]C[6]O)(F)2{1|C<4>,4|F<1>}	C[6](C[6]C[6]FF)2(F)2{1|C<4>,1|O<1>,2|F<1>}	F(C[6]C[6]2F)	107.2208	0.799	4	107.2208	0.638	4	107.2208	0.638	4	108.2936	2.161	7	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:F-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]F)(F)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]FH)(H)2	F(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]F)(F)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]FH)(H)2{1|H<1>,2|F<1>,3|C<3>}	F(C[6]C[6]2H)	109.9480	0.074	2	109.9480	0.005	2	109.9480	0.005	2	108.2936	2.161	7	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:3:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	F(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(F)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	F(C[6]C[6]2H)	109.2760	0.000	1	109.2760	0.000	1	109.2760	0.000	1	108.2936	2.161	7	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(F)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(OS)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(F)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(OS)(H){1|F<1>,2|H<1>,3|C<3>}	F(C[6]C[6]2H)	107.2810	0.000	1	107.2810	0.000	1	109.7767	4.722	3	109.7767	4.722	3	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]O)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OC)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(F)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OC)(H){1|C<3>,1|C<4>,1|O<1>}	F(C[6]C[6]2H)	111.2500	0.000	1	111.2500	0.000	1	109.7767	4.722	3	109.7767	4.722	3	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:3:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]O)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OH)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(F)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OH)(H){1|C<3>,1|C<4>,1|O<1>}	F(C[6]C[6]2H)	110.7990	0.000	1	110.7990	0.000	1	109.7767	4.722	3	109.7767	4.722	3	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:3:1:1:	4:4:2:2:	4:	C[6]-4:C[6]-3:F-1:F-1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:	C[6](C[6]C[6]OO)(C[6]C[6]C)(F)2	C[6](C[6]C[6]O[6]H)(C[6]C[6]FF)(OH)2	F(C[6]C[6]2F)	C[6](C[6]C[6]OO)(C[6]C[6]C)(F)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]FF)(OH)2{1|C<3>,1|H<1>,3|C<4>}	F(C[6]C[6]2F)	108.9895	1.135	4	108.9895	1.289	4	108.8922	1.726	6	108.8922	1.726	6	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:3:1:1:	4:4:2:2:	4:	C[6]-4:C[6]-3:F-1:F-1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:	C[6](C[6]C[6]OO)(C[6]C[6]C)(F)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6]FF)(OH)2	F(C[6]C[6]2F)	C[6](C[6]C[6]OO)(C[6]C[6]C)(F)2{1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]FF)(OH)2{1|C<4>,3|C<3>}	F(C[6]C[6]2F)	108.6975	2.156	2	108.6975	4.648	2	108.8922	1.726	6	108.8922	1.726	6	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:3:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-3:F-1:H-1:	C[6]-4:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]N[6]O)(F)(H)	C[6](C[6]C[6,6a]C[6]O)(C[6]C[6]FH)(N[6]C[6]C)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]N[6]O)(F)(H){1|O<2>,2|C<3>,3|C<4>}	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>}	F(C[6]C[6]2H)	112.0670	0.000	1	112.0670	0.000	1	112.0670	0.000	1	112.0670	0.000	1	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:3:3:1:	3:2:4:1:	4:	C[6]-4:C[6]-3:C-3:F-1:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(COO)(F)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]CF)(H)	F(C[6]C[6]2C)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(COO)(F){4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]CF)(H){1|O<1>,2|H<1>,4|C<3>}	F(C[6]C[6]2C)	106.3470	0.000	1	106.3470	0.000	1	106.3470	0.000	1	106.3470	0.000	1	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:3:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-3:C-3:F-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(COO)(F)	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]CF)(H)	F(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(COO)(F){1|S<4>,4|C<3>}	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>}	F(C[6]C[6]2C)	105.9230	0.000	1	105.9230	0.000	1	105.9230	0.000	1	105.9230	0.000	1	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:3:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:C-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO)(F)	C[6](C[6a]C[6a]2)(C[6]C[6]CF)(C[6]C[6]HH)(H)	F(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO)(F){3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CF)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	F(C[6]C[6]2C)	107.3950	0.000	1	107.3950	0.000	1	108.0585	4.832	4	108.0585	4.832	4	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:3:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:C-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCO)(F)	C[6](C[6a]C[6a]2)(C[6]C[6]CF)2(H)	F(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCO)(F){1|F<1>,1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CF)2(H){2|H<1>,2|O<1>,3|C<3>}	F(C[6]C[6]2C)	110.8710	0.000	1	110.8710	0.000	1	108.0585	4.832	4	108.0585	4.832	4	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:3:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:C-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)(F)	C[6](C[6a]C[6a]2)(C[6]C[6]CF)2(H)	F(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(COO)(F){1|F<1>,1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CF)2(H){2|H<1>,2|O<1>,3|C<3>}	F(C[6]C[6]2C)	105.5990	0.000	1	105.5990	0.000	1	108.0585	4.832	4	108.0585	4.832	4	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:3:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-3:C-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(COO)(F)	C[6](C[6a]C[6a]2)(C[6]C[6]CF)(C[6]C[6]HN)(H)	F(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(COO)(F){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CF)(C[6]C[6]HN)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	F(C[6]C[6]2C)	108.3690	0.000	1	108.3690	0.000	1	108.0585	4.832	4	108.0585	4.832	4	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:3:3:1:	4:3:2:1:	4:	C[6]-4:C[6]-3:C[6a]-3:F-1:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(F)	C[6](C[6]C[6a]C[6]F)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	F(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(F){2|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6]F)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|O<1>,2|H<1>,6|C<3>}	F(C[6]C[6a]C[6]2)	104.3230	0.000	1	104.3230	0.000	1	104.3230	0.000	1	104.3230	0.000	1	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:C-3:F-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(COO)(F)	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2	F(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]O)(COO)(F){1|C<4>,3|H<1>}	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>}	F(C[6]C[6]2C)	108.6760	0.269	5	108.6760	0.073	5	108.6760	0.073	5	108.6841	0.234	9	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:3:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:N[5]-3:F-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(F)	C[6](C[6]C[6]N[5]F)(C[6]C[6]HH)(H)2	F(C[6]C[6]2N[5])	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(F){2|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[5]F)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|O<1>}	F(C[6]C[6]2N[5])	108.6942	0.725	4	108.6942	0.526	4	108.6942	0.526	4	108.6841	0.234	9	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[6]-3:C[6]-4:F-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5]C[5,6a]O[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(F)	C[6](C[6]C[5]C[6]F)(C[6]C[6,6a]HH)(H)2	F(C[6]C[5]C[6]2)	C[6](C[5]C[5,6a]O[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(F){2|H<1>,5|C<3>}	C[6](C[6]C[5]C[6]F)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<3>}	F(C[6]C[5]C[6]2)	108.0410	0.000	1	108.0410	0.000	1	108.0410	0.000	1	108.5450	0.824	3	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:3:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-3:P-4:F-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(PC[6a]2O)(F)	C[6](C[6]C[6]FP)(C[6]C[6]HH)(H)2	F(C[6]C[6]2P)	C[6](C[6]C[6]HH)(C[6]C[6]O)(PC[6a]2O)(F){1|C<4>,4|H<1>}	C[6](C[6]C[6]FP)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	F(C[6]C[6]2P)	108.7970	1.126	2	108.7970	1.267	2	108.7970	1.267	2	108.5450	0.824	3	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CO)(F)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]FF)(H)	F(C[6]C[6]2F)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CO)(F)2{1|H<1>,4|C<3>}	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>}	F(C[6]C[6]2F)	109.7195	1.238	2	109.7195	1.533	2	109.7195	1.533	2	109.7195	1.533	2	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	3:4:1:1:	4:	C[5,6]-4:C[6]-4:F-1:F-1:	N[5a,6]-3:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[5a,6]FF)(F)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5,6]FF)(F)2	F(C[6]C[5,6]C[6]F)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[5a,6]FF)(F)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5,6]FF)(F)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	F(C[6]C[5,6]C[6]F)	107.6085	0.619	2	107.6085	0.383	2	107.6085	0.383	2	108.6570	1.549	18	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6,6a]-3:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6,6a]FF)(C[6]C[6]FF)(F)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FF)(F)2	F(C[6]C[6]2F)	C[6](C[6]C[6,6a]FF)(C[6]C[6]FF)(F)2{2|C<3>,2|F<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FF)(F)2{1|C<4>,1|O<2>,2|C<3>,2|F<1>}	F(C[6]C[6]2F)	109.4972	0.898	10	109.4972	0.807	10	109.4972	0.807	10	108.6570	1.549	18	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	N[5a,6]-3:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]N[5a,6]FF)(C[6]C[6]CH)(F)2	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]FF)(F)2	F(C[6]C[6]2F)	C[6](C[6]N[5a,6]FF)(C[6]C[6]CH)(F)2{1|C<4>,1|O<2>,2|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]FF)(F)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	F(C[6]C[6]2F)	106.9465	0.889	2	106.9465	0.790	2	107.3280	0.469	4	108.6570	1.549	18	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	N[5a,6]-3:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]N[5a,6]FF)(C[6]C[6]HH)(F)2	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]FF)(F)2	F(C[6]C[6]2F)	C[6](C[6]N[5a,6]FF)(C[6]C[6]HH)(F)2{1|C<4>,1|H<1>,2|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]FF)(F)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	F(C[6]C[6]2F)	107.7095	0.183	2	107.7095	0.034	2	107.3280	0.469	4	108.6570	1.549	18	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(F)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]FH)(H)2	F(C[6]C[6]2H)	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(F)(H){2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]FH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	F(C[6]C[6]2H)	107.6760	0.000	1	107.6760	0.000	1	107.6760	0.000	1	108.6570	1.549	18	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	3:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(F)(H)	C[6](N[6]C[6,6]S)(C[6]C[6]FH)(H)2	F(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(F)(H){1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C[6](N[6]C[6,6]S)(C[6]C[6]FH)(H)2{2|C<4>,3|H<1>}	F(C[6]C[6]2H)	108.6490	0.000	1	108.6490	0.000	1	108.6490	0.000	1	108.6570	1.549	18	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]FF)(F)2	C[6](C[6a]C[6a]2)(C[6]C[6]FF)(N[6]C[6]C)(H)	F(C[6]C[6]2F)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]FF)(F)2{2|C<3>,2|C<4>,2|H<1>}	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>}	F(C[6]C[6]2F)	110.4315	0.697	2	110.4315	0.485	2	110.4315	0.485	2	109.0545	1.975	6	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(F)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FH)(NSS)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(F)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FH)(NSS)(H){1|C<4>,2|C<3>,3|H<1>}	F(C[6]C[6]2H)	108.2710	1.340	3	108.2710	1.795	3	108.2710	1.795	3	109.0545	1.975	6	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	3:4:3:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	N[6a]-3:C[6]-4:C[6]-3:H-1:	C[6]-4:	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HO)(F)(H)	C[6](N[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]H)(H)	F(C[6]C[6]2H)	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HO)(F)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	F(C[6]C[6]2H)	108.6510	0.000	1	108.6510	0.000	1	108.6510	0.000	1	109.0545	1.975	6	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	3:4:3:4:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6a]-3:C[6]-4:N[6]-3:C-4:	C[6]-4:	C[6](C[6]C[6a]N[6]C)(C[6]C[6]FF)(F)2	C[6](C[6a]C[6a]2)(C[6]C[6]FF)(N[6]C[6]H)(CF3)	F(C[6]C[6]2F)	C[6](C[6]C[6a]N[6]C)(C[6]C[6]FF)(F)2{1|C<4>,1|H<1>,2|C<3>,2|F<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]FF)(N[6]C[6]H)(CF3){2|C<4>,2|F<1>,2|H<1>,3|C<3>}	F(C[6]C[6]2F)	110.2433	2.401	4	110.2433	5.764	4	110.2433	5.764	4	110.2433	5.764	4	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(F)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HH)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(F)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HH)(H){1|C<4>,1|F<1>,2|C<3>,5|H<1>}	F(C[6]C[6]2H)	111.3270	0.942	2	109.6386	2.607	5	110.0702	1.762	10	110.0702	1.762	10	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(F)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HH)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(F)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HH)(H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,4|H<1>}	F(C[6]C[6]2H)	108.5130	0.137	3	109.6386	2.607	5	110.0702	1.762	10	110.0702	1.762	10	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(F)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]FH)2(H)	F(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(F)(H){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]FH)2(H){1|C<4>,2|C<3>,2|F<1>,4|H<1>}	F(C[6]C[6]2H)	110.7647	0.853	4	110.7647	0.728	4	110.0702	1.762	10	110.0702	1.762	10	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(F)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HO)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(F)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HO)(H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,4|H<1>}	F(C[6]C[6]2H)	109.4500	0.000	1	109.4500	0.000	1	110.0702	1.762	10	110.0702	1.762	10	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CO)(F)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FF)(CF3)(OH)	F(C[6]C[6]2F)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CO)(F)2{1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FF)(CF3)(OH){1|N<3>,2|H<1>,3|C<3>}	F(C[6]C[6]2F)	108.1340	4.384	2	108.1340	19.220	2	108.1340	19.220	2	110.4863	4.383	38	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]FF)(F)2	C[6](C[6a]C[6a]2)(C[6]C[6]FF)2(OAl)	F(C[6]C[6]2F)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]FF)(F)2{1|C<4>,2|C<3>,4|F<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]FF)2(OAl){1|C<4>,2|C<3>,6|F<1>}	F(C[6]C[6]2F)	111.1442	1.585	24	111.1442	2.513	24	110.8682	3.537	32	110.4863	4.383	38	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]FF)(F)2	C[6](C[6a]C[6a]2)(C[6]C[6]FF)2(OH)	F(C[6]C[6]2F)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]FF)(F)2{1|C<4>,2|C<3>,4|F<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]FF)2(OH){1|C<4>,2|C<3>,6|F<1>}	F(C[6]C[6]2F)	110.0401	2.523	8	110.0401	6.366	8	110.8682	3.537	32	110.4863	4.383	38	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]FH)(F)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]FH)2(OH)	F(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]FH)(F)(H){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]FH)2(OH){1|C<4>,2|C<3>,2|F<1>,4|H<1>}	F(C[6]C[6]2H)	109.5080	0.246	2	109.5080	0.061	2	108.6075	1.143	4	110.4863	4.383	38	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	3:4:4:2:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(F)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HH)(OH)	F(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(F)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HH)(OH){1|C<4>,2|C<3>,6|H<1>}	F(C[6]C[6]2H)	107.7070	0.352	2	107.7070	0.124	2	108.6075	1.143	4	110.4863	4.383	38	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:2:1:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]O[6]HH)(F)2	C[6](C[6]C[6]FF)(O[6]C[6])(H)2	F(C[6]C[6]2F)	C[6](C[6]N[6]HH)(C[6]O[6]HH)(F)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]FF)(O[6]C[6])(H)2{1|N<3>,1|O<1>,2|H<1>}	F(C[6]C[6]2F)	109.7030	0.578	2	109.7030	0.335	2	109.7030	0.335	2	109.7030	0.335	2	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]O[6]HO)(F)2	C[6](C[6]C[6]FF)(O[6]C[6])(OC)(H)	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)(C[6]O[6]HO)(F)2{1|C<4>,2|F<1>}	C[6](C[6]C[6]FF)(O[6]C[6])(OC)(H){1|H<1>,2|C<4>,2|F<1>}	F(C[6]C[6]2F)	110.6025	0.762	2	110.6025	0.580	2	110.2695	1.077	6	109.4709	1.095	14	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]O[6]HO)(F)2	C[6](C[6]C[6]FF)(O[6]C[6])(OH)(H)	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)(C[6]O[6]HO)(F)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]FF)(O[6]C[6])(OH)(H){1|H<1>,2|C<4>,2|F<1>}	F(C[6]C[6]2F)	110.1030	1.221	4	110.1030	1.490	4	110.2695	1.077	6	109.4709	1.095	14	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]FH)(C[6]O[6]HO)(F)(H)	C[6](C[6]C[6]FH)(O[6]C[6,6])(OH)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6,6]FH)(C[6]O[6]HO)(F)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]FH)(O[6]C[6,6])(OH)(H){1|F<1>,2|C<4>,2|H<1>}	F(C[6]C[6]2H)	109.4210	0.390	2	109.4210	0.152	2	108.8720	0.308	8	109.4709	1.095	14	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]O[6]HO)(F)(H)	C[6](C[6]C[6]FH)(O[6]C[6])(OH)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]O[6]HO)(F)(H){1|C<4>,1|F<1>,1|H<1>}	C[6](C[6]C[6]FH)(O[6]C[6])(OH)(H){1|F<1>,2|C<4>,2|H<1>}	F(C[6]C[6]2H)	108.5400	0.395	4	108.5400	0.156	4	108.8720	0.308	8	109.4709	1.095	14	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:2:2:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:O[6]-2:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(F)(H)	C[6](C[6]C[6]FH)(O[6]C[6])(OC[6a])(H)	F(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(F)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]FH)(O[6]C[6])(OC[6a])(H){1|O<2>,2|C<4>,2|H<1>}	F(C[6]C[6]2H)	108.9870	0.680	2	108.9870	0.463	2	108.8720	0.308	8	109.4709	1.095	14	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]O[6]CH)(F)2	C[6](C[6]C[6]FF)(O[6]C[6])(CHHO)(H)	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)(C[6]O[6]CH)(F)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]FF)(O[6]C[6])(CHHO)(H){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	F(C[6]C[6]2F)	110.8357	0.525	14	110.8854	0.266	16	110.7452	0.402	18	110.2736	1.256	24	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]O[6]CH)(F)2	C[6](C[6]C[6]FF)(O[6]C[6])(CHHO)(H)	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)(C[6]O[6]CH)(F)2{1|C<4>,2|F<1>}	C[6](C[6]C[6]FF)(O[6]C[6])(CHHO)(H){1|C<4>,1|H<1>,1|O<2>,2|F<1>}	F(C[6]C[6]2F)	111.2335	0.353	2	110.8854	0.266	16	110.7452	0.402	18	110.2736	1.256	24	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(F)2	C[6](C[6]C[6]FF)(O[6]C[6])(CHHO)(H)	F(C[6]C[6]2F)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(F)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]FF)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	F(C[6]C[6]2F)	109.6230	0.098	2	109.6230	0.010	2	110.7452	0.402	18	110.2736	1.256	24	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]O[6]CH)(F)(H)	C[6](C[6]C[6]FH)(O[6]C[6])(CHHO)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]O[6]CH)(F)(H){1|C<4>,1|F<1>,1|H<1>}	C[6](C[6]C[6]FH)(O[6]C[6])(CHHO)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	F(C[6]C[6]2H)	109.4608	0.520	4	109.2336	0.461	5	108.8588	1.211	6	110.2736	1.256	24	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]O[6]CH)(F)(H)	C[6](C[6]C[6]FH)(O[6]C[6])(CHHO)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]O[6]CH)(F)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]FH)(O[6]C[6])(CHHO)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	F(C[6]C[6]2H)	108.3250	0.000	1	109.2336	0.461	5	108.8588	1.211	6	110.2736	1.256	24	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:2:4:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(F)(H)	C[6](C[6]C[6]FH)(O[6]C[6])(CHHO)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(F)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]FH)(O[6]C[6])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	F(C[6]C[6]2H)	106.9850	0.000	1	106.9850	0.000	1	108.8588	1.211	6	110.2736	1.256	24	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:2:4:4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(F)(H)	C[6](C[6]C[6]FH)(O[6]C[6])(CH3)2	F(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(F)(H){1|Br<1>,1|C<4>,1|H<1>}	C[6](C[6]C[6]FH)(O[6]C[6])(CH3)2{1|C<3>,2|C<4>,2|H<1>}	F(C[6]C[6]2H)	108.8050	0.000	1	108.8050	0.000	1	108.8050	0.000	1	108.8050	0.000	1	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:Cl-1:F-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(Cl)(F)	C[6](C[6]C[6]ClF)(N[6]C[6]C)(H)2	F(C[6]C[6]2Cl)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(Cl)(F){1|Cl<1>,3|C<4>}	C[6](C[6]C[6]ClF)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	F(C[6]C[6]2Cl)	108.4210	0.000	1	108.4210	0.000	1	108.4210	0.000	1	109.1216	0.921	14	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-3:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)2(F)2	C[6](C[6]C[6]FF)(C[6]C[6]O)(F)2	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)2(F)2{1|C<4>,1|O<1>,2|F<1>}	C[6](C[6]C[6]FF)(C[6]C[6]O)(F)2{1|C<4>,4|F<1>}	F(C[6]C[6]2F)	110.1453	0.105	4	110.1453	0.011	4	110.1453	0.011	4	109.1216	0.921	14	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(F)2	C[6](C[6]C[6]FF)(N[6]C[6]C)(H)2	F(C[6]C[6]2F)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(F)2{1|H<1>,3|C<4>}	C[6](C[6]C[6]FF)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	F(C[6]C[6]2F)	109.2280	0.253	2	109.2280	0.064	2	109.4288	0.166	4	109.1216	0.921	14	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]O[6]HH)(F)2	C[6](C[6]C[6]FF)(N[6]C[6]H)(H)2	F(C[6]C[6]2F)	C[6](C[6]N[6]HH)(C[6]O[6]HH)(F)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]FF)(N[6]C[6]H)(H)2{1|O<1>,1|O<2>,2|H<1>}	F(C[6]C[6]2F)	109.6295	0.521	2	109.6295	0.272	2	109.4288	0.166	4	109.1216	0.921	14	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]N[6]HH)(F)(H)	C[6](C[6]C[6]FH)(N[6]C[6]C)(H)2	F(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]N[6]HH)(F)(H){1|C<3>,1|C<4>,2|H<1>}	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>}	F(C[6]C[6]2H)	108.2945	1.382	2	108.2945	1.911	2	108.1972	0.529	5	109.1216	0.921	14	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(F)(H)	C[6](C[6]C[6]FH)(N[6]C[6]H)(H)2	F(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(F)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]FH)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|H<1>}	F(C[6]C[6]2H)	108.4540	0.000	1	108.4540	0.000	1	108.1972	0.529	5	109.1216	0.921	14	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:3:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(F)(H)	C[6](C[6]C[6]FH)(N[6]C[6]C)(H)2	F(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(F)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]FH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	F(C[6]C[6]2H)	107.9715	0.136	2	107.9715	0.019	2	108.1972	0.529	5	109.1216	0.921	14	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HO)(F)2	C[6](C[6]C[5,6]FF)(C[6]C[6]Br)(OH)(H)	F(C[6]C[5,6]C[6]F)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HO)(F)2{1|Br<1>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5,6]FF)(C[6]C[6]Br)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	F(C[6]C[5,6]C[6]F)	108.8067	1.282	4	108.8067	1.642	4	109.2400	1.521	6	109.2400	1.521	6	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:3:2:1:	4:	C[5,6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HO)(F)2	C[6](C[6]C[5,6]FF)(C[6]C[6]H)(OH)(H)	F(C[6]C[5,6]C[6]F)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HO)(F)2{1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]FF)(C[6]C[6]H)(OH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	F(C[6]C[5,6]C[6]F)	110.1065	0.653	2	110.1065	0.426	2	109.2400	1.521	6	109.2400	1.521	6	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:3:3:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(F)(H)	C[6](C[6]C[6]FH)(N[6]C[6]H)(CNO)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(F)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]FH)(N[6]C[6]H)(CNO)(H){1|C<4>,4|H<1>}	F(C[6]C[6]2H)	107.3000	0.000	1	107.3000	0.000	1	107.3000	0.000	1	107.3000	0.000	1	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(F)2	C[6](C[6]C[6]FF)(N[6]C[6]H)(CH3)(H)	F(C[6]C[6]2F)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(F)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]FF)(N[6]C[6]H)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	F(C[6]C[6]2F)	109.3575	0.481	4	109.3575	0.232	4	109.3575	0.232	4	109.3026	0.189	5	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:3:4:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(F)(H)	C[6](C[6]C[6]FH)(N[6]C[6]H)(CC[6a]CH)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(F)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]FH)(N[6]C[6]H)(CC[6a]CH)(H){1|C<4>,4|H<1>}	F(C[6]C[6]2H)	109.0830	0.000	1	109.0830	0.000	1	109.0830	0.000	1	109.3026	0.189	5	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[4,6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[4,6]C[6,6a]C[4]2)(C[6]C[6]HH)(F)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[4,6]FH)(H)2	F(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[6,6a]C[4]2)(C[6]C[6]HH)(F)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[4,6]FH)(H)2{2|C<3>,2|C<4>}	F(C[6]C[4,6]C[6]H)	108.9890	0.000	1	108.9890	0.000	1	108.9890	0.000	1	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[5,3x6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6]C[6]FF)(F)2	C[6](C[6]C[5,3x6]FF)(C[6]C[6]FF)(F)2	F(C[6]C[5,3x6]C[6]F)	C[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6]C[6]FF)(F)2{1|C<4>,2|F<1>,6|C<3>}	C[6](C[6]C[5,3x6]FF)(C[6]C[6]FF)(F)2{1|C<4>,2|C<3>,2|F<1>}	F(C[6]C[5,3x6]C[6]F)	107.5872	0.318	4	107.5872	0.101	4	107.5872	0.101	4	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]FH)(F)(H)	C[6](C[6]C[5,6]FH)(C[6]C[5,6]HO)(F)(H)	F(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]FH)(F)(H){1|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[5,6]FH)(C[6]C[5,6]HO)(F)(H){1|C<4>,2|H<1>,2|O<2>}	F(C[6]C[5,6]C[6]H)	108.8010	0.522	2	108.8010	0.272	2	107.7607	0.856	6	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]FH)(F)(H)	C[6](C[6]C[5,6]FH)2(F)(H)	F(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]FH)(F)(H){1|C<4>,1|F<1>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]FH)2(F)(H){1|C<4>,2|H<1>,2|O<2>}	F(C[6]C[5,6]C[6]H)	107.1240	0.690	2	107.1240	0.476	2	107.7607	0.856	6	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]FH)(F)(H)	C[6](C[6]C[5,6]FH)2(F)(H)	F(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]FH)(F)(H){1|F<1>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]FH)2(F)(H){1|C<4>,2|H<1>,2|O<2>}	F(C[6]C[5,6]C[6]H)	107.3570	0.478	2	107.3570	0.228	2	107.7607	0.856	6	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(F)(H)	C[6](C[6]C[5,6]FH)(C[6]C[6]CH)(H)2	F(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(F)(H){2|H<1>,5|C<4>}	C[6](C[6]C[5,6]FH)(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,2|O<2>}	F(C[6]C[5,6]C[6]H)	109.0710	0.000	1	109.0710	0.000	1	108.8560	0.024	4	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]HH)(F)(H)	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]FH)(H)2	F(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]HH)(F)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]FH)(H)2{1|C<4>,3|C<3>}	F(C[6]C[5,6]C[6]H)	108.7843	0.071	3	108.7843	0.005	3	108.8560	0.024	4	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(F)2	C[6](C[6]C[6,6]FF)(C[6]C[6]CO)(H)2	F(C[6]C[6,6]C[6]F)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(F)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6]FF)(C[6]C[6]CO)(H)2{1|C<4>,1|O<2>,3|H<1>}	F(C[6]C[6,6]C[6]F)	109.6415	0.674	4	109.6415	0.454	4	109.6415	0.454	4	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:F-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(F)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]FH)(H)2	F(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(F)(H){2|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]FH)(H)2{1|O<1>,2|H<1>,4|C<4>}	F(C[6]C[6,6]C[6]H)	108.8260	0.000	1	108.8260	0.000	1	108.8260	0.000	1	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6,6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]FH)(F)(H)	C[6](C[6]C[6,6]FH)(C[6]O[6]HO)(F)(H)	F(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]FH)(F)(H){2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]FH)(C[6]O[6]HO)(F)(H){1|C<4>,1|H<1>,1|O<2>}	F(C[6]C[6,6]C[6]H)	109.1010	0.553	2	109.1010	0.306	2	109.1010	0.306	2	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:Cl-1:F-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(Cl)(F)	C[6](C[6]C[6]ClC)(C[6]C[6]ClF)(H)2	F(C[6]C[6]2Cl)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(Cl)(F){1|Cl<1>,3|C<4>}	C[6](C[6]C[6]ClC)(C[6]C[6]ClF)(H)2{1|N<3>,4|H<1>}	F(C[6]C[6]2Cl)	111.0300	0.000	1	111.0300	0.000	1	111.0300	0.000	1	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[5,3x6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[5,3x6]FF)(C[6]C[6]FF)(F)2	C[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6]C[6]FF)(F)2	F(C[6]C[6]2F)	C[6](C[6]C[5,3x6]FF)(C[6]C[6]FF)(F)2{1|C<4>,2|C<3>,2|F<1>}	C[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6]C[6]FF)(F)2{1|C<4>,2|F<1>,6|C<3>}	F(C[6]C[6]2F)	107.5465	1.668	4	107.5465	2.781	4	107.5465	2.781	4	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[5,3x6]FF)(C[6]C[6]FF)(F)2	C[6](C[6]C[5,3x6]FF)(C[6]C[6]FF)(F)2	F(C[6]C[6]2F)	C[6](C[6]C[5,3x6]FF)(C[6]C[6]FF)(F)2{1|C<4>,2|C<3>,2|F<1>}	C[6](C[6]C[5,3x6]FF)(C[6]C[6]FF)(F)2{1|C<4>,2|C<3>,2|F<1>}	F(C[6]C[6]2F)	109.4490	0.727	4	109.4490	0.528	4	108.5237	1.890	327	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6,6a]FF)(C[6]C[6]FF)(F)2	C[6](C[6]C[6,6a]FF)(C[6]C[6]FF)(F)2	F(C[6]C[6]2F)	C[6](C[6]C[6,6a]FF)(C[6]C[6]FF)(F)2{2|C<3>,2|F<1>}	C[6](C[6]C[6,6a]FF)(C[6]C[6]FF)(F)2{2|C<3>,2|F<1>}	F(C[6]C[6]2F)	108.7820	2.362	10	108.7820	5.579	10	108.5237	1.890	327	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]CF)(C[6]C[6]FF)(F)2	C[6](C[6]C[6]FF)2(F)2	F(C[6]C[6]2F)	C[6](C[6]C[6]CF)(C[6]C[6]FF)(F)2{1|C<4>,4|F<1>}	C[6](C[6]C[6]FF)2(F)2{1|C<3>,1|C<4>,3|F<1>}	F(C[6]C[6]2F)	107.6010	0.554	4	107.6010	0.306	4	108.5237	1.890	327	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]FF)(F)2	C[6](C[6]C[6]FF)2(F)2	F(C[6]C[6]2F)	C[6](C[6]C[6]CO)(C[6]C[6]FF)(F)2{1|C<4>,4|F<1>}	C[6](C[6]C[6]FF)2(F)2{1|O<1>,2|C<4>,2|F<1>}	F(C[6]C[6]2F)	106.8076	0.687	8	107.1926	0.385	20	108.5237	1.890	327	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]FF)(F)2	C[6](C[6]C[6]FF)2(F)2	F(C[6]C[6]2F)	C[6](C[6]C[6]CO)(C[6]C[6]FF)(F)2{1|C<4>,4|F<1>}	C[6](C[6]C[6]FF)2(F)2{1|O<2>,2|C<4>,2|F<1>}	F(C[6]C[6]2F)	107.4493	0.430	12	107.1926	0.385	20	108.5237	1.890	327	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]C[6]HH)(F)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]FF)(F)2	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)(C[6]C[6]HH)(F)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]FF)(F)2{2|C<3>,2|C<4>,2|H<1>}	F(C[6]C[6]2F)	108.3720	1.376	2	108.3720	1.893	2	108.5237	1.890	327	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]C[6]HO)(F)2	C[6](C[6]C[6]FF)(C[6]O[6]CH)(F)2	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)(C[6]C[6]HO)(F)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]FF)(C[6]O[6]CH)(F)2{1|C<4>,1|H<1>,1|O<2>}	F(C[6]C[6]2F)	108.2413	1.823	14	108.2413	3.323	14	108.5237	1.890	327	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]C[6]HO)(F)2	C[6](C[6]C[6]FF)(C[6]O[6]HO)(F)2	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)(C[6]C[6]HO)(F)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]FF)(C[6]O[6]HO)(F)2{1|C<4>,1|H<1>,1|O<2>}	F(C[6]C[6]2F)	107.8547	0.831	4	107.8547	0.691	4	108.5237	1.890	327	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]C[6]OO)(F)2	C[6](C[6]C[6]FF)2(F)2	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)(C[6]C[6]OO)(F)2{1|C<4>,4|F<1>}	C[6](C[6]C[6]FF)2(F)2{1|C<4>,2|F<1>,2|O<2>}	F(C[6]C[6]2F)	108.5366	0.312	8	108.5366	0.097	8	108.5237	1.890	327	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]O[6]CH)(F)2	C[6](C[6]C[6]FF)(C[6]C[6]HO)(F)2	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)(C[6]O[6]CH)(F)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]FF)(C[6]C[6]HO)(F)2{1|C<4>,2|H<1>,2|O<2>}	F(C[6]C[6]2F)	108.6665	0.649	14	108.6665	0.421	14	108.5237	1.890	327	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]O[6]CH)(F)2	C[6](C[6]C[6]FF)2(F)2	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)(C[6]O[6]CH)(F)2{1|C<4>,2|F<1>}	C[6](C[6]C[6]FF)2(F)2{1|C<4>,2|H<1>,2|O<2>}	F(C[6]C[6]2F)	108.3545	0.128	2	108.3545	0.016	2	108.5237	1.890	327	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]O[6]HO)(F)2	C[6](C[6]C[6]FF)(C[6]C[6]HO)(F)2	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)(C[6]O[6]HO)(F)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]FF)(C[6]C[6]HO)(F)2{1|C<4>,2|H<1>,2|O<2>}	F(C[6]C[6]2F)	108.7867	0.723	4	108.7867	0.522	4	108.5237	1.890	327	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]O[6]HO)(F)2	C[6](C[6]C[6]FF)2(F)2	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)(C[6]O[6]HO)(F)2{1|C<4>,2|F<1>}	C[6](C[6]C[6]FF)2(F)2{1|C<4>,2|H<1>,2|O<2>}	F(C[6]C[6]2F)	108.6300	0.455	2	108.6300	0.207	2	108.5237	1.890	327	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)2(F)2	C[6](C[6]C[6]CF)(C[6]C[6]FF)(F)2	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)2(F)2{1|C<3>,1|C<4>,3|F<1>}	C[6](C[6]C[6]CF)(C[6]C[6]FF)(F)2{1|C<4>,4|F<1>}	F(C[6]C[6]2F)	109.2240	0.459	4	109.2240	0.211	4	108.5237	1.890	327	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)2(F)2	C[6](C[6]C[6]CO)(C[6]C[6]FF)(F)2	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)2(F)2{1|O<1>,2|C<4>,2|F<1>}	C[6](C[6]C[6]CO)(C[6]C[6]FF)(F)2{1|C<4>,4|F<1>}	F(C[6]C[6]2F)	110.0530	1.130	8	109.3368	0.933	20	108.5237	1.890	327	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)2(F)2	C[6](C[6]C[6]CO)(C[6]C[6]FF)(F)2	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)2(F)2{1|O<2>,2|C<4>,2|F<1>}	C[6](C[6]C[6]CO)(C[6]C[6]FF)(F)2{1|C<4>,4|F<1>}	F(C[6]C[6]2F)	108.8592	0.421	12	109.3368	0.933	20	108.5237	1.890	327	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)2(F)2	C[6](C[6]C[6]FF)(C[6]C[6]OO)(F)2	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)2(F)2{1|C<4>,2|F<1>,2|O<2>}	C[6](C[6]C[6]FF)(C[6]C[6]OO)(F)2{1|C<4>,4|F<1>}	F(C[6]C[6]2F)	108.9543	0.331	8	108.9543	0.110	8	108.5237	1.890	327	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)2(F)2	C[6](C[6]C[6]FF)(C[6]O[6]CH)(F)2	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)2(F)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]FF)(C[6]O[6]CH)(F)2{1|C<4>,2|F<1>}	F(C[6]C[6]2F)	109.2765	2.552	2	109.2765	6.512	2	108.5237	1.890	327	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)2(F)2	C[6](C[6]C[6]FF)(C[6]O[6]HO)(F)2	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)2(F)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]FF)(C[6]O[6]HO)(F)2{1|C<4>,2|F<1>}	F(C[6]C[6]2F)	109.1230	1.519	2	109.1230	2.307	2	108.5237	1.890	327	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)2(F)2	C[6](C[6]C[6]FF)2(F)2	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)2(F)2{1|C<3>,1|C<4>,1|O<2>,2|F<1>}	C[6](C[6]C[6]FF)2(F)2{1|C<4>,4|F<1>}	F(C[6]C[6]2F)	108.6617	0.473	30	108.8035	0.304	130	108.5237	1.890	327	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)2(F)2	C[6](C[6]C[6]FF)2(F)2	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)2(F)2{1|C<3>,1|C<4>,3|F<1>}	C[6](C[6]C[6]FF)2(F)2{1|C<4>,4|F<1>}	F(C[6]C[6]2F)	109.0602	0.252	4	108.8035	0.304	130	108.5237	1.890	327	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)2(F)2	C[6](C[6]C[6]FF)2(F)2	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)2(F)2{1|C<3>,4|F<1>}	C[6](C[6]C[6]FF)2(F)2{1|C<4>,1|O<1>,2|F<1>}	F(C[6]C[6]2F)	108.9550	0.245	4	108.8035	0.304	130	108.5237	1.890	327	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)2(F)2	C[6](C[6]C[6]FF)2(F)2	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)2(F)2{1|C<4>,1|O<1>,2|F<1>}	C[6](C[6]C[6]FF)2(F)2{1|C<3>,4|F<1>}	F(C[6]C[6]2F)	108.3372	0.446	4	108.8035	0.304	130	108.5237	1.890	327	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)2(F)2	C[6](C[6]C[6]FF)2(F)2	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)2(F)2{1|C<4>,2|F<1>,2|O<2>}	C[6](C[6]C[6]FF)2(F)2{1|C<4>,4|F<1>}	F(C[6]C[6]2F)	108.8566	0.221	7	108.8035	0.304	130	108.5237	1.890	327	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)2(F)2	C[6](C[6]C[6]FF)2(F)2	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)2(F)2{1|C<4>,4|F<1>}	C[6](C[6]C[6]FF)2(F)2{1|C<3>,1|C<4>,1|O<2>,2|F<1>}	F(C[6]C[6]2F)	108.9906	0.536	30	108.8035	0.304	130	108.5237	1.890	327	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)2(F)2	C[6](C[6]C[6]FF)2(F)2	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)2(F)2{1|C<4>,4|F<1>}	C[6](C[6]C[6]FF)2(F)2{1|C<3>,1|C<4>,3|F<1>}	F(C[6]C[6]2F)	108.8928	0.146	4	108.8035	0.304	130	108.5237	1.890	327	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)2(F)2	C[6](C[6]C[6]FF)2(F)2	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)2(F)2{1|C<4>,4|F<1>}	C[6](C[6]C[6]FF)2(F)2{1|C<4>,2|F<1>,2|O<2>}	F(C[6]C[6]2F)	108.8024	0.285	7	108.8035	0.304	130	108.5237	1.890	327	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)2(F)2	C[6](C[6]C[6]FF)2(F)2	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)2(F)2{1|C<4>,4|F<1>}	C[6](C[6]C[6]FF)2(F)2{1|O<1>,2|C<4>,2|F<1>}	F(C[6]C[6]2F)	108.6970	0.798	8	108.8035	0.304	130	108.5237	1.890	327	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)2(F)2	C[6](C[6]C[6]FF)2(F)2	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)2(F)2{1|C<4>,4|F<1>}	C[6](C[6]C[6]FF)2(F)2{1|O<2>,2|C<4>,2|F<1>}	F(C[6]C[6]2F)	108.9586	0.520	12	108.8035	0.304	130	108.5237	1.890	327	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)2(F)2	C[6](C[6]C[6]FF)2(F)2	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)2(F)2{1|O<1>,2|C<4>,2|F<1>}	C[6](C[6]C[6]FF)2(F)2{1|C<4>,4|F<1>}	F(C[6]C[6]2F)	108.3444	1.119	8	108.8035	0.304	130	108.5237	1.890	327	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)2(F)2	C[6](C[6]C[6]FF)2(F)2	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)2(F)2{1|O<2>,2|C<4>,2|F<1>}	C[6](C[6]C[6]FF)2(F)2{1|C<4>,4|F<1>}	F(C[6]C[6]2F)	108.8716	0.351	12	108.8035	0.304	130	108.5237	1.890	327	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)2(F)2	C[6](C[6]C[6a]C[6]O)(C[6]C[6]FF)(F)2	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)2(F)2{1|C<3>,1|C<4>,1|O<2>,2|F<1>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]FF)(F)2{1|C<4>,2|C<3>,4|F<1>}	F(C[6]C[6]2F)	109.5333	1.804	32	109.5333	3.256	32	108.5237	1.890	327	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)2(F)2	C[6](C[6]C[6a]N[6]C)(C[6]C[6]FF)(F)2	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)2(F)2{1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6a]N[6]C)(C[6]C[6]FF)(F)2{1|C<4>,1|H<1>,2|C<3>,2|F<1>}	F(C[6]C[6]2F)	109.4442	1.498	4	109.4442	2.245	4	108.5237	1.890	327	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]FF)(F)2	C[6](C[6]C[6]FF)2(F)2	F(C[6]C[6]2F)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]FF)(F)2{1|C<4>,2|C<3>,4|F<1>}	C[6](C[6]C[6]FF)2(F)2{1|C<3>,1|C<4>,1|O<2>,2|F<1>}	F(C[6]C[6]2F)	106.5900	1.472	31	106.5900	2.168	31	108.5237	1.890	327	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6a]N[6]C)(C[6]C[6]FF)(F)2	C[6](C[6]C[6]FF)2(F)2	F(C[6]C[6]2F)	C[6](C[6]C[6a]N[6]C)(C[6]C[6]FF)(F)2{1|C<4>,1|H<1>,2|C<3>,2|F<1>}	C[6](C[6]C[6]FF)2(F)2{1|N<3>,2|C<3>,2|C<4>}	F(C[6]C[6]2F)	106.2655	1.728	4	106.2655	2.987	4	108.5237	1.890	327	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]FF)(F)2	C[6](C[6]C[6]FF)(C[6]C[6]HH)(F)2	F(C[6]C[6]2F)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]FF)(F)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]FF)(C[6]C[6]HH)(F)2{1|C<3>,1|N<3>,3|H<1>}	F(C[6]C[6]2F)	108.1990	2.083	2	108.1990	4.339	2	108.5237	1.890	327	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]C[6]HH)(F)2	C[6](C[6]C[6]FF)(C[6]N[6]HH)(H)2	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)(C[6]C[6]HH)(F)2{1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6]FF)(C[6]N[6]HH)(H)2{2|C<4>,2|F<1>}	F(C[6]C[6]2F)	111.1465	0.428	2	111.1465	0.183	2	108.4497	6.197	46	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(F)2	C[6](C[6]C[6]CH)(C[6]C[6]FF)(H)2	F(C[6]C[6]2F)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(F)2{1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]FF)(H)2{1|N<3>,4|H<1>}	F(C[6]C[6]2F)	109.9195	0.552	2	109.9195	0.305	2	108.4497	6.197	46	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(F)2	C[6](C[6]C[6]FF)(C[6]C[6]HH)(H)2	F(C[6]C[6]2F)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(F)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]FF)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	F(C[6]C[6]2F)	104.9939	2.278	12	104.9939	5.191	12	108.4497	6.197	46	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(F)2	C[6](C[6]C[6]FF)(C[6]C[6]HH)(H)2	F(C[6]C[6]2F)	C[6](C[6]C[6]HH)2(F)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]FF)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,3|H<1>}	F(C[6]C[6]2F)	109.3735	0.302	4	109.4538	0.383	16	108.4497	6.197	46	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(F)2	C[6](C[6]C[6]FF)(C[6]C[6]HH)(H)2	F(C[6]C[6]2F)	C[6](C[6]C[6]HH)2(F)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]FF)(C[6]C[6]HH)(H)2{1|F<1>,2|C<4>,2|H<1>}	F(C[6]C[6]2F)	109.6685	0.399	4	109.4538	0.383	16	108.4497	6.197	46	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(F)2	C[6](C[6]C[6]FF)(C[6]C[6]HH)(H)2	F(C[6]C[6]2F)	C[6](C[6]C[6]HH)2(F)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]FF)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	F(C[6]C[6]2F)	109.3866	0.823	8	109.4538	0.383	16	108.4497	6.197	46	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(F)2	C[6](C[6]C[6]FF)(C[6]N[6]HH)(H)2	F(C[6]C[6]2F)	C[6](C[6]C[6]HH)2(F)2{1|N<4>,4|H<1>}	C[6](C[6]C[6]FF)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	F(C[6]C[6]2F)	109.4975	1.111	12	109.4975	1.234	12	108.4497	6.197	46	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]FF)(C[6]C[6]HH)(F)2	C[6](C[6]C[5a,6]CH)(C[6]C[6]FF)(H)2	F(C[6]C[6]2F)	C[6](C[6]N[5a,6]FF)(C[6]C[6]HH)(F)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5a,6]CH)(C[6]C[6]FF)(H)2{1|N<2>,1|N<3>,2|F<1>}	F(C[6]C[6]2F)	110.6990	0.601	2	110.6990	0.361	2	108.4497	6.197	46	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(F)2	C[6](C[6]C[6]FF)(N[6]C[6]HH)(H)2	F(C[6]C[6]2F)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(F)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]FF)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	F(C[6]C[6]2F)	106.2048	2.817	12	106.2048	7.933	12	106.2048	7.933	12	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:S[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]S[6]FF)2(F)2	C[6](C[6]C[6]FF)(S[6]C[6]OO)(F)2	F(C[6]C[6]2F)	C[6](C[6]S[6]FF)2(F)2{1|C<3>,4|O<1>}	C[6](C[6]C[6]FF)(S[6]C[6]OO)(F)2{1|C<4>,1|S<4>,2|F<1>}	F(C[6]C[6]2F)	108.3675	0.389	4	108.2755	0.299	8	108.3707	0.321	15	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:S[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]S[6]FF)2(F)2	C[6](C[6]C[6]FF)(S[6]C[6]OO)(F)2	F(C[6]C[6]2F)	C[6](C[6]S[6]FF)2(F)2{1|C<4>,4|O<1>}	C[6](C[6]C[6]FF)(S[6]C[6]OO)(F)2{2|Br<1>,1|S<4>,2|F<1>}	F(C[6]C[6]2F)	108.1835	0.724	4	108.2755	0.299	8	108.3707	0.321	15	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:S[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]S[6]FF)2(F)2	C[6](C[6]C[6]FF)(S[6]N[6]OO)(F)2	F(C[6]C[6]2F)	C[6](C[6]S[6]FF)2(F)2{1|N<2>,4|O<1>}	C[6](C[6]C[6]FF)(S[6]N[6]OO)(F)2{1|S<4>,2|F<1>}	F(C[6]C[6]2F)	108.4794	0.611	7	108.4794	0.373	7	108.3707	0.321	15	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(F)(H)	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]FH)(H)2	F(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(F)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]FH)(H)2{1|C<3>,1|O<2>,3|C<4>}	F(C[6]C[6]2H)	107.1515	0.233	2	107.1515	0.054	2	107.1515	0.054	2	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[5,6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]FH)(C[6]C[5,6]HO)(F)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]FH)(F)(H)	F(C[6]C[6]2H)	C[6](C[6]C[5,6]FH)(C[6]C[5,6]HO)(F)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]FH)(F)(H){1|C<4>,2|O<2>,3|H<1>}	F(C[6]C[6]2H)	108.7830	0.684	2	108.7830	0.469	2	108.0023	0.523	6	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[5,6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]FH)2(F)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]FH)(F)(H)	F(C[6]C[6]2H)	C[6](C[6]C[5,6]FH)2(F)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]FH)(F)(H){1|C<4>,1|F<1>,1|O<2>,3|H<1>}	F(C[6]C[6]2H)	107.4930	0.221	2	107.4930	0.049	2	108.0023	0.523	6	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[5,6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]FH)2(F)(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]FH)(F)(H)	F(C[6]C[6]2H)	C[6](C[6]C[5,6]FH)2(F)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]FH)(F)(H){1|F<1>,1|H<1>,2|C<4>}	F(C[6]C[6]2H)	107.7310	0.464	2	107.7310	0.215	2	108.0023	0.523	6	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6,6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]FH)(C[6]O[6]HO)(F)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]FH)(F)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6,6]FH)(C[6]O[6]HO)(F)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]FH)(F)(H){2|C<4>,2|H<1>,2|O<2>}	F(C[6]C[6]2H)	109.1825	1.305	2	109.1825	1.702	2	109.1825	1.702	2	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(F)(H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]FH)(H)2	F(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(F)(H){5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]FH)(H)2{4|C<4>,4|H<1>}	F(C[6]C[6]2H)	108.2940	0.000	1	108.2940	0.000	1	108.6300	0.052	4	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(F)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]FH)(H)2	F(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(F)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]FH)(H)2{3|H<1>,5|C<4>}	F(C[6]C[6]2H)	108.7810	0.000	1	108.7810	0.000	1	108.6300	0.052	4	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(F)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]FH)(H)2	F(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(F)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]FH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	F(C[6]C[6]2H)	108.6800	0.000	1	108.6800	0.000	1	108.6300	0.052	4	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(F)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]FH)(H)2	F(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(F)(H){1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]FH)(H)2{1|N<3>,2|C<4>,3|H<1>}	F(C[6]C[6]2H)	108.7650	0.000	1	108.7650	0.000	1	108.6300	0.052	4	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]FH)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]FH)(F)(H){1|C<4>,1|F<1>,3|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H){1|C<1>,1|F<1>,1|H<1>,2|C<4>}	F(C[6]C[6]2H)	107.2955	1.360	2	107.8527	0.922	19	108.7398	1.044	130	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]FH)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]FH)(F)(H){1|C<4>,1|F<1>,3|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H){1|F<1>,1|H<1>,3|C<4>}	F(C[6]C[6]2H)	107.9182	0.937	17	107.8527	0.922	19	108.7398	1.044	130	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H)	C[6](C[6]C[6]CC)(C[6]C[6]FH)(F)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H){1|C<1>,1|F<1>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]FH)(F)(H){1|C<4>,1|F<1>,3|H<1>}	F(C[6]C[6]2H)	108.1430	1.225	2	109.1600	1.230	20	108.7398	1.044	130	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H)	C[6](C[6]C[6]CC)(C[6]C[6]FH)(F)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H){1|F<1>,1|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]FH)(F)(H){1|C<4>,1|F<1>,3|H<1>}	F(C[6]C[6]2H)	109.2730	1.073	18	109.1600	1.230	20	108.7398	1.044	130	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H)	C[6](C[6]C[6]FH)(C[6]N[6]HH)(F)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6]FH)(C[6]N[6]HH)(F)(H){1|C<3>,1|C<4>,2|H<1>}	F(C[6]C[6]2H)	109.7280	0.011	2	109.7280	0.000	2	108.7398	1.044	130	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(F)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(F)(H){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	F(C[6]C[6]2H)	108.7703	0.997	4	108.6907	0.560	7	108.7398	1.044	130	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(F)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(F)(H){1|C<4>,2|C<3>,4|H<1>}	F(C[6]C[6]2H)	108.5847	0.400	3	108.6907	0.560	7	108.7398	1.044	130	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]FH)(F)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<2>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]FH)(F)(H){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	F(C[6]C[6]2H)	107.8070	0.300	2	107.8070	0.090	2	108.7398	1.044	130	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	F(C[6]C[6]2H)	108.8760	0.434	8	108.8760	0.189	8	108.7398	1.044	130	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H)	C[6](C[6]C[6]FH)(C[6]O[6]CH)(F)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]FH)(C[6]O[6]CH)(F)(H){1|C<4>,1|H<1>,1|O<2>}	F(C[6]C[6]2H)	109.2620	0.000	1	109.2620	0.000	1	108.7398	1.044	130	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H)	C[6](C[6]C[6]FH)2(F)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H){1|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6]FH)2(F)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	F(C[6]C[6]2H)	108.9123	0.583	4	108.9123	0.340	4	108.7398	1.044	130	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(F)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(F)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	F(C[6]C[6]2H)	109.7510	0.484	2	109.7510	0.234	2	108.7398	1.044	130	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]N[6]HH)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]N[6]HH)(F)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H){1|C<3>,1|N<3>,3|H<1>}	F(C[6]C[6]2H)	109.0345	0.288	2	109.0345	0.083	2	108.7398	1.044	130	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]O[6]CH)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]O[6]CH)(F)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H){1|C<4>,2|H<1>,2|O<2>}	F(C[6]C[6]2H)	107.7350	0.000	1	107.7350	0.000	1	108.7398	1.044	130	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]O[6]CH)(F)(H)	C[6](C[6]C[6]FH)2(F)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]O[6]CH)(F)(H){1|C<4>,1|F<1>,1|H<1>}	C[6](C[6]C[6]FH)2(F)(H){1|C<4>,2|H<1>,2|O<2>}	F(C[6]C[6]2H)	108.7272	0.449	4	108.7272	0.202	4	108.7398	1.044	130	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]O[6]HO)(F)(H)	C[6](C[6]C[6]FH)2(F)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]O[6]HO)(F)(H){1|C<4>,1|F<1>,1|H<1>}	C[6](C[6]C[6]FH)2(F)(H){1|C<4>,2|H<1>,2|O<2>}	F(C[6]C[6]2H)	107.9585	1.493	4	107.9585	2.231	4	108.7398	1.044	130	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)2(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6]FH)2(F)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H){1|C<4>,2|F<1>,2|H<1>}	F(C[6]C[6]2H)	107.9800	0.570	4	107.9800	0.325	4	108.7398	1.044	130	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)2(F)(H)	C[6](C[6]C[6]FH)(C[6]O[6]CH)(F)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6]FH)2(F)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]FH)(C[6]O[6]CH)(F)(H){1|C<4>,1|F<1>,1|H<1>}	F(C[6]C[6]2H)	108.9457	0.377	3	108.9457	0.142	3	108.7398	1.044	130	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)2(F)(H)	C[6](C[6]C[6]FH)(C[6]O[6]HO)(F)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6]FH)2(F)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]FH)(C[6]O[6]HO)(F)(H){1|C<4>,1|F<1>,1|H<1>}	F(C[6]C[6]2H)	107.8795	1.569	4	107.8795	2.463	4	108.7398	1.044	130	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)2(F)(H)	C[6](C[6]C[6]FH)2(F)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6]FH)2(F)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]FH)2(F)(H){1|C<4>,2|F<1>,2|H<1>}	F(C[6]C[6]2H)	109.5113	0.429	4	109.3933	0.547	32	108.7398	1.044	130	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)2(F)(H)	C[6](C[6]C[6]FH)2(F)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6]FH)2(F)(H){1|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6]FH)2(F)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	F(C[6]C[6]2H)	108.5493	0.767	4	109.3933	0.547	32	108.7398	1.044	130	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)2(F)(H)	C[6](C[6]C[6]FH)2(F)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6]FH)2(F)(H){1|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6]FH)2(F)(H){1|C<4>,2|F<1>,2|H<1>}	F(C[6]C[6]2H)	109.5143	0.704	24	109.3933	0.547	32	108.7398	1.044	130	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(F)(H){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	F(C[6]C[6]2H)	107.6658	0.687	4	107.9993	0.442	7	108.7398	1.044	130	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(F)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	F(C[6]C[6]2H)	108.4440	0.314	3	107.9993	0.442	7	108.7398	1.044	130	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(F)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H){1|C<3>,1|C<4>,3|H<1>}	F(C[6]C[6]2H)	107.9990	0.023	2	107.9990	0.001	2	108.7398	1.044	130	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]FH)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]FH)(F)(H){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<2>}	F(C[6]C[6]2H)	108.5205	0.747	2	108.5205	0.559	2	108.7398	1.044	130	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(F)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]FH)(H)2	F(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(F)(H){5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]FH)(H)2{2|C<4>,3|H<1>}	F(C[6]C[6]2H)	107.6780	0.000	1	107.6780	0.000	1	108.9073	0.637	68	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(F)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]FH)(H)2	F(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(F)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]FH)(H)2{1|O<2>,2|C<4>,2|H<1>}	F(C[6]C[6]2H)	108.8480	0.000	1	108.8480	0.000	1	108.9073	0.637	68	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(F)(H)	C[6](C[6]C[6,6]HN)(C[6]C[6]FH)(H)2	F(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(F)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HN)(C[6]C[6]FH)(H)2{2|H<1>,3|C<4>}	F(C[6]C[6]2H)	107.7340	0.000	1	107.7340	0.000	1	108.9073	0.637	68	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(F)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]FH)(H)2	F(C[6]C[6]2H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(F)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]FH)(H)2{1|H<1>,1|N<3>,2|C<3>}	F(C[6]C[6]2H)	109.1607	1.015	3	109.1607	1.030	3	108.9073	0.637	68	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(H)2	F(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HO)(H)2{1|C<4>,1|F<1>,3|H<1>}	F(C[6]C[6]2H)	109.4603	0.609	3	109.4603	0.371	3	108.9073	0.637	68	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H)	C[6](C[6]C[6]FH)2(H)2	F(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H){1|C<1>,1|F<1>,1|H<1>,2|C<4>}	C[6](C[6]C[6]FH)2(H)2{1|C<4>,2|F<1>,2|H<1>}	F(C[6]C[6]2H)	108.9810	0.016	2	109.3180	0.376	26	108.9073	0.637	68	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H)	C[6](C[6]C[6]FH)2(H)2	F(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<2>}	C[6](C[6]C[6]FH)2(H)2{1|C<4>,2|F<1>,2|H<1>}	F(C[6]C[6]2H)	108.7205	0.153	2	109.3180	0.376	26	108.9073	0.637	68	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H)	C[6](C[6]C[6]FH)2(H)2	F(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	C[6](C[6]C[6]FH)2(H)2{1|C<4>,2|F<1>,2|H<1>}	F(C[6]C[6]2H)	109.2165	1.119	4	109.3180	0.376	26	108.9073	0.637	68	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H)	C[6](C[6]C[6]FH)2(H)2	F(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H){1|F<1>,1|H<1>,3|C<4>}	C[6](C[6]C[6]FH)2(H)2{1|C<4>,2|F<1>,2|H<1>}	F(C[6]C[6]2H)	109.4444	0.505	18	109.3180	0.376	26	108.9073	0.637	68	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]FH)(H)2	F(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(F)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]FH)(H)2{1|C<4>,1|F<1>,1|H<1>,3|C<3>}	F(C[6]C[6]2H)	108.9755	0.278	2	108.9755	0.077	2	108.9073	0.637	68	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	F(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(F)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	F(C[6]C[6]2H)	109.4605	0.500	2	109.1970	0.333	3	108.9073	0.637	68	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	F(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(F)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	F(C[6]C[6]2H)	108.6700	0.000	1	109.1970	0.333	3	108.9073	0.637	68	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	F(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	F(C[6]C[6]2H)	108.5578	0.482	9	108.5184	0.222	10	108.9073	0.637	68	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	F(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	F(C[6]C[6]2H)	108.1640	0.000	1	108.5184	0.222	10	108.9073	0.637	68	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(H)2	F(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HO)(H)2{1|C<4>,1|F<1>,1|O<2>,2|H<1>}	F(C[6]C[6]2H)	109.3910	0.000	1	109.3910	0.000	1	108.9073	0.637	68	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]FH)(H)2	F(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]FH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	F(C[6]C[6]2H)	110.0155	0.153	2	110.0155	0.024	2	108.9073	0.637	68	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	F(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(F)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	F(C[6]C[6]2H)	108.4560	0.000	1	108.4870	0.002	2	108.9073	0.637	68	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	F(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(F)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	F(C[6]C[6]2H)	108.5180	0.000	1	108.4870	0.002	2	108.9073	0.637	68	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	F(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(F)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>}	F(C[6]C[6]2H)	107.9330	0.000	1	108.1080	0.061	2	108.9073	0.637	68	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	F(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(F)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	F(C[6]C[6]2H)	108.2830	0.000	1	108.1080	0.061	2	108.9073	0.637	68	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(F)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]FH)(H)2	F(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(F)(H){1|Br<1>,1|C<4>,1|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6]FH)(H)2{1|C<3>,1|O<2>,3|C<4>}	F(C[6]C[6]2H)	106.9690	0.000	1	106.9690	0.000	1	108.9073	0.637	68	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	F(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(F)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	F(C[6]C[6]2H)	108.3855	1.205	4	108.3855	1.452	4	108.9073	0.637	68	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(F)(H)	C[6](C[6]C[6]FH)(C[6]N[6]HH)(H)2	F(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(F)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6]FH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	F(C[6]C[6]2H)	108.7140	0.000	1	108.0675	0.836	2	108.9073	0.637	68	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(F)(H)	C[6](C[6]C[6]FH)(C[6]N[6]HH)(H)2	F(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(F)(H){1|N<4>,4|H<1>}	C[6](C[6]C[6]FH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	F(C[6]C[6]2H)	107.4210	0.000	1	108.0675	0.836	2	108.9073	0.637	68	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(F)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]FH)(H)2	F(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(F)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]FH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	F(C[6]C[6]2H)	108.7480	0.000	1	108.7480	0.000	1	108.9073	0.637	68	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	F(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(F)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	F(C[6]C[6]2H)	108.0485	0.073	2	108.0485	0.005	2	108.9073	0.637	68	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(F)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]FH)(H)2	F(C[6]C[6]2H)	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(F)(H){2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(C[6]C[6]FH)(H)2{1|N<2>,1|N<3>,2|H<1>}	F(C[6]C[6]2H)	108.4770	0.000	1	108.4770	0.000	1	108.9073	0.637	68	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(F)(H)	C[6](C[6]C[6]FH)(N[6]C[6]HH)(H)2	F(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(F)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]FH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	F(C[6]C[6]2H)	107.7930	0.000	1	107.7930	0.000	1	107.7930	0.000	1	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:P[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(P[6]O[6]OO)(F)(H)	C[6](C[6]C[6]HN)(C[6]P[6]FH)(H)2	F(C[6]C[6]P[6]H)	C[6](C[6]C[6]HH)(P[6]O[6]OO)(F)(H){1|C<4>,1|H<1>,1|N<4>}	C[6](C[6]C[6]HN)(C[6]P[6]FH)(H)2{1|O<2>,2|H<1>,2|O<1>}	F(C[6]C[6]P[6]H)	107.7580	0.000	2	107.7580	0.000	2	107.7580	0.000	2	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-4:F-1:F-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)(S[6]C[6]OO)(F)2	C[6](C[6]S[6]FF)2(F)2	F(C[6]C[6]S[6]F)	C[6](C[6]C[6]FF)(S[6]C[6]OO)(F)2{1|C<4>,1|S<4>,2|F<1>}	C[6](C[6]S[6]FF)2(F)2{1|C<3>,4|O<1>}	F(C[6]C[6]S[6]F)	108.2505	0.473	4	108.3385	0.459	8	108.2123	0.555	16	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-4:F-1:F-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)(S[6]C[6]OO)(F)2	C[6](C[6]S[6]FF)2(F)2	F(C[6]C[6]S[6]F)	C[6](C[6]C[6]FF)(S[6]C[6]OO)(F)2{2|Br<1>,1|S<4>,2|F<1>}	C[6](C[6]S[6]FF)2(F)2{1|C<4>,4|O<1>}	F(C[6]C[6]S[6]F)	108.4265	0.910	4	108.3385	0.459	8	108.2123	0.555	16	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:1:1:	4:	C[6]-4:S[6]-4:F-1:F-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)(S[6]N[6]OO)(F)2	C[6](C[6]S[6]FF)2(F)2	F(C[6]C[6]S[6]F)	C[6](C[6]C[6]FF)(S[6]N[6]OO)(F)2{1|S<4>,2|F<1>}	C[6](C[6]S[6]FF)2(F)2{1|N<2>,4|O<1>}	F(C[6]C[6]S[6]F)	108.0861	0.832	8	108.0861	0.692	8	108.2123	0.555	16	108.5348	1.987	658	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(F)(H)	C[6](C[6]C[5,6]FH)2(OH)(H)	F(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(F)(H){1|C<4>,1|F<1>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]FH)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	F(C[6]C[5,6]C[6]H)	109.6529	0.409	8	109.6529	0.168	8	109.8439	0.163	15	109.0844	1.570	118	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(F)(H)	C[6](C[6]C[5,6]FH)2(OH)(H)	F(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(F)(H){1|F<1>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]FH)2(OH)(H){1|C<4>,2|H<1>,2|O<2>}	F(C[6]C[5,6]C[6]H)	110.0623	0.283	7	110.0623	0.080	7	109.8439	0.163	15	109.0844	1.570	118	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6]HO)(F)2	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H)	F(C[6]C[6,6]C[6]F)	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6]HO)(F)2{1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	F(C[6]C[6,6]C[6]F)	108.9290	1.416	2	108.8880	0.671	4	109.2034	1.429	20	109.0844	1.570	118	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6]HO)(F)2	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H)	F(C[6]C[6,6]C[6]F)	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6]HO)(F)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	F(C[6]C[6,6]C[6]F)	108.8470	0.040	2	108.8880	0.671	4	109.2034	1.429	20	109.0844	1.570	118	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]N)(C[6]C[6]HO)(F)2	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OH)(H)	F(C[6]C[6,6]C[6]F)	C[6](C[6,6]O[6,6]C[6]N)(C[6]C[6]HO)(F)2{2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	F(C[6]C[6,6]C[6]F)	109.6760	2.150	2	109.6760	4.621	2	109.2034	1.429	20	109.0844	1.570	118	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HO)(F)2	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H)	F(C[6]C[6,6]C[6]F)	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HO)(F)2{1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OC)(H){1|H<1>,2|C<4>,2|O<2>}	F(C[6]C[6,6]C[6]F)	109.0498	1.246	12	109.0498	1.551	12	109.2034	1.429	20	109.0844	1.570	118	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:2:1:	4:	C[6,6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HO)(F)2	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OH)(H)	F(C[6]C[6,6]C[6]F)	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HO)(F)2{1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]FF)(C[6]C[6,6]HO)(OH)(H){1|H<1>,2|C<4>,2|O<2>}	F(C[6]C[6,6]C[6]F)	110.2825	0.060	2	110.2825	0.004	2	109.2034	1.429	20	109.0844	1.570	118	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(F)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]FF)(OH)(H)	F(C[6]C[6]2F)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(F)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]FF)(OH)(H){4|C<4>,4|H<1>}	F(C[6]C[6]2F)	108.3992	0.319	4	108.3992	0.102	4	108.3992	0.102	4	109.0844	1.570	118	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(F)2	C[6](C[6]C[3,6]CO)(C[6]C[6]FF)(OH)(H)	F(C[6]C[6]2F)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(F)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]CO)(C[6]C[6]FF)(OH)(H){1|H<1>,4|C<4>}	F(C[6]C[6]2F)	108.7510	0.113	2	108.7510	0.013	2	109.4419	2.230	36	109.0844	1.570	118	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(F)2	C[6](C[6]C[6]CO)(C[6]C[6]FF)(OH)(H)	F(C[6]C[6]2F)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(F)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]FF)(OH)(H){2|C<4>,3|H<1>}	F(C[6]C[6]2F)	108.5803	1.449	6	108.5803	2.099	6	109.4419	2.230	36	109.0844	1.570	118	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(F)2	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H)	F(C[6]C[6]2F)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(F)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H){1|H<1>,4|C<4>}	F(C[6]C[6]2F)	108.0870	0.960	2	108.0450	0.632	4	109.4419	2.230	36	109.0844	1.570	118	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(F)2	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H)	F(C[6]C[6]2F)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(F)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H){2|C<4>,3|H<1>}	F(C[6]C[6]2F)	108.0030	0.983	2	108.0450	0.632	4	109.4419	2.230	36	109.0844	1.570	118	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]C[6]HO)(F)2	C[6](C[6]C[6]FF)(C[6]O[6]CH)(OC)(H)	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)(C[6]C[6]HO)(F)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]FF)(C[6]O[6]CH)(OC)(H){1|C<4>,2|F<1>}	F(C[6]C[6]2F)	110.1445	2.391	2	110.1445	5.716	2	109.4419	2.230	36	109.0844	1.570	118	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]C[6]HO)(F)2	C[6](C[6]C[6]FF)(C[6]O[6]CH)(OH)(H)	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)(C[6]C[6]HO)(F)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]FF)(C[6]O[6]CH)(OH)(H){1|C<4>,2|F<1>}	F(C[6]C[6]2F)	110.0920	2.772	2	110.0920	7.683	2	109.4419	2.230	36	109.0844	1.570	118	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]C[6]HO)(F)2	C[6](C[6]C[6]FF)(C[6]O[6]HO)(OC)(H)	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)(C[6]C[6]HO)(F)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]FF)(C[6]O[6]HO)(OC)(H){1|C<4>,2|F<1>}	F(C[6]C[6]2F)	110.6165	0.646	4	110.6165	0.418	4	109.4419	2.230	36	109.0844	1.570	118	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]C[6]HO)(F)2	C[6](C[6]C[6]FF)(C[6]O[6]HO)(OH)(H)	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)(C[6]C[6]HO)(F)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]FF)(C[6]O[6]HO)(OH)(H){1|C<4>,2|F<1>}	F(C[6]C[6]2F)	110.0031	1.598	10	110.0031	2.554	10	109.4419	2.230	36	109.0844	1.570	118	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(F)2	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H)	F(C[6]C[6]2F)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(F)2{1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H){1|C<4>,1|N<3>,3|H<1>}	F(C[6]C[6]2F)	109.3517	0.637	4	109.3517	0.406	4	109.4419	2.230	36	109.0844	1.570	118	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(F)2	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H)	F(C[6]C[6]2F)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(F)2{1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]FF)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	F(C[6]C[6]2F)	109.1835	1.706	2	109.1835	2.911	2	109.4419	2.230	36	109.0844	1.570	118	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[5,6]FH)(C[6]C[5,6]HO)(F)(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]FH)(OH)(H)	F(C[6]C[6]2H)	C[6](C[6]C[5,6]FH)(C[6]C[5,6]HO)(F)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]FH)(OH)(H){1|F<1>,1|H<1>,2|C<4>}	F(C[6]C[6]2H)	109.0170	0.132	2	109.0170	0.017	2	109.0170	0.017	2	109.0844	1.570	118	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OH)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OH)(H){1|C<4>,1|F<1>,3|H<1>}	F(C[6]C[6]2H)	110.5515	0.996	2	110.5515	0.993	2	108.5046	1.168	41	109.0844	1.570	118	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H)	C[6](C[6]C[6]FH)(C[6]O[6]HO)(OH)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]FH)(C[6]O[6]HO)(OH)(H){1|C<4>,1|F<1>,1|H<1>}	F(C[6]C[6]2H)	109.2030	0.000	1	109.2030	0.000	1	108.5046	1.168	41	109.0844	1.570	118	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H)	C[6](C[6]C[6]FH)2(OH)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]FH)2(OH)(H){1|C<4>,2|F<1>,2|H<1>}	F(C[6]C[6]2H)	108.3424	0.671	8	108.3238	0.427	10	108.5046	1.168	41	109.0844	1.570	118	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H)	C[6](C[6]C[6]FH)2(OH)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H){1|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6]FH)2(OH)(H){1|C<4>,2|F<1>,2|H<1>}	F(C[6]C[6]2H)	108.2495	0.821	2	108.3238	0.427	10	108.5046	1.168	41	109.0844	1.570	118	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H)	C[6](C[6]C[6]FH)2(OS)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(F)(H){1|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6]FH)2(OS)(H){1|C<4>,2|F<1>,2|H<1>}	F(C[6]C[6]2H)	109.5520	0.130	2	109.5520	0.017	2	108.5046	1.168	41	109.0844	1.570	118	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OS)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OS)(H){1|C<4>,4|H<1>}	F(C[6]C[6]2H)	108.3210	0.000	1	108.3210	0.000	1	108.5046	1.168	41	109.0844	1.570	118	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HN)(OH)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HN)(OH)(H){1|C<4>,4|H<1>}	F(C[6]C[6]2H)	108.5020	1.146	9	108.5020	1.314	9	108.5046	1.168	41	109.0844	1.570	118	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H)	C[6](C[6]C[6]FH)(C[6]N[6]HH)(OH)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6]FH)(C[6]N[6]HH)(OH)(H){1|C<3>,1|C<4>,2|H<1>}	F(C[6]C[6]2H)	107.5080	0.229	2	107.5080	0.052	2	108.5046	1.168	41	109.0844	1.570	118	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(OS)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(F)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FH)(OS)(H){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	F(C[6]C[6]2H)	107.6290	0.000	1	107.6290	0.000	1	108.5046	1.168	41	109.0844	1.570	118	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OH)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(F)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OH)(H){1|N<3>,4|H<1>}	F(C[6]C[6]2H)	108.4115	0.197	2	108.4115	0.039	2	108.5046	1.168	41	109.0844	1.570	118	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OH)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(F)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	F(C[6]C[6]2H)	108.8600	0.000	1	108.8600	0.000	1	108.5046	1.168	41	109.0844	1.570	118	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OC)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(F)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OC)(H){1|C<4>,2|H<1>,2|O<2>}	F(C[6]C[6]2H)	108.6500	0.158	2	108.6500	0.025	2	108.5046	1.168	41	109.0844	1.570	118	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OH)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(F)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]FH)(C[6]C[6]HO)(OH)(H){1|C<4>,2|H<1>,2|O<2>}	F(C[6]C[6]2H)	108.9177	0.527	4	108.9177	0.278	4	108.5046	1.168	41	109.0844	1.570	118	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(F)(H)	C[6](C[6]C[6]FH)(C[6]O[6]CH)(OH)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(F)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]FH)(C[6]O[6]CH)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	F(C[6]C[6]2H)	107.7150	0.000	1	107.7150	0.000	1	108.5046	1.168	41	109.0844	1.570	118	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6]HO)2(F)(H)	C[6](C[6]C[6]FH)(C[6]O[6]HO)(OH)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(F)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]FH)(C[6]O[6]HO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	F(C[6]C[6]2H)	108.3540	0.000	1	108.3540	0.000	1	108.5046	1.168	41	109.0844	1.570	118	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OS)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(F)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(OS)(H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	F(C[6]C[6]2H)	104.7170	0.000	1	104.7170	0.000	1	108.5046	1.168	41	109.0844	1.570	118	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:2:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HO)(F)(H)	C[6](C[6]C[6]CH)(C[6]C[6]FH)(OH)(H)	F(C[6]C[6]2H)	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HO)(F)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]FH)(OH)(H){1|C<3>,1|N<3>,2|H<1>}	F(C[6]C[6]2H)	109.1170	0.000	1	109.1170	0.000	1	108.5046	1.168	41	109.0844	1.570	118	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:2:2:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:O-2:O-2:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]C[6]OO)(F)2	C[6](C[6]C[6]FF)2(OH)2	F(C[6]C[6]2F)	C[6](C[6]C[6]FF)(C[6]C[6]OO)(F)2{1|C<4>,4|F<1>}	C[6](C[6]C[6]FF)2(OH)2{1|C<4>,4|F<1>}	F(C[6]C[6]2F)	108.6265	0.502	8	108.6265	0.252	8	108.6265	0.252	8	108.6265	0.252	8	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:C-3:F-1:	C[6]-4:	C[6](C[6]C[6]CF)(C[6]C[6]FF)(F)2	C[6](C[6]C[6]FF)2(CIrO)(F)	F(C[6]C[6]2F)	C[6](C[6]C[6]CF)(C[6]C[6]FF)(F)2{1|C<4>,4|F<1>}	C[6](C[6]C[6]FF)2(CIrO)(F){1|C<4>,4|F<1>}	F(C[6]C[6]2F)	109.7030	1.444	4	109.7030	2.087	4	109.7030	2.087	4	109.4053	1.491	6	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(NHS)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(F)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HO)(NHS)(H){1|C<4>,4|H<1>}	F(C[6]C[6]2H)	108.8100	0.365	2	108.8100	0.133	2	108.8100	0.133	2	109.4053	1.491	6	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(F)2	C[6](C[6]C[6,6]HH)(C[6]C[6]FF)(CH3)(H)	F(C[6]C[6]2F)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(F)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]FF)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	F(C[6]C[6]2F)	110.1937	0.658	4	110.1937	0.433	4	110.1247	0.863	18	110.5237	2.523	29	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(F)2	C[6](C[6]C[3,6]HH)(C[6]C[6]FF)(CH3)(H)	F(C[6]C[6]2F)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(F)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]FF)(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	F(C[6]C[6]2F)	109.4790	1.680	2	109.4790	2.823	2	110.1247	0.863	18	110.5237	2.523	29	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(F)2	C[6](C[6]C[6]FF)(C[6]C[6]HH)(CH3)(H)	F(C[6]C[6]2F)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(F)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]FF)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	F(C[6]C[6]2F)	110.3460	0.133	2	109.9261	0.459	10	110.1247	0.863	18	110.5237	2.523	29	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(F)2	C[6](C[6]C[6]FF)(C[6]C[6]HH)(CH3)(H)	F(C[6]C[6]2F)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(F)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]FF)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	F(C[6]C[6]2F)	110.3860	0.823	2	109.9261	0.459	10	110.1247	0.863	18	110.5237	2.523	29	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(F)2	C[6](C[6]C[6]FF)(C[6]C[6]HH)(CH3)(H)	F(C[6]C[6]2F)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(F)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]FF)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,3|H<1>}	F(C[6]C[6]2F)	109.6328	0.654	6	109.9261	0.459	10	110.1247	0.863	18	110.5237	2.523	29	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:	C[6](C[6]N[5a,6]FF)(C[6]C[6]CH)(F)2	C[6](C[6]C[5a,6]CO)(C[6]C[6]FF)(CH3)(H)	F(C[6]C[6]2F)	C[6](C[6]N[5a,6]FF)(C[6]C[6]CH)(F)2{1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]C[5a,6]CO)(C[6]C[6]FF)(CH3)(H){1|N<2>,1|N<3>,2|F<1>}	F(C[6]C[6]2F)	111.6250	0.817	2	111.6250	0.668	2	110.1247	0.863	18	110.5237	2.523	29	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:C-4:O-1:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]FF)(F)2	C[6](C[6]C[6]FF)2(CF3)(O)	F(C[6]C[6]2F)	C[6](C[6]C[6]CO)(C[6]C[6]FF)(F)2{1|C<4>,4|F<1>}	C[6](C[6]C[6]FF)2(CF3)(O){1|C<4>,4|F<1>}	F(C[6]C[6]2F)	111.9784	1.970	8	111.9784	3.880	8	111.9784	3.880	8	110.5237	2.523	29	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:C-4:C-1:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]FH)(F)(H)	C[6](C[6]C[6]FH)2(CCHN)(C)	F(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]FH)(F)(H){1|C<4>,1|F<1>,3|H<1>}	C[6](C[6]C[6]FH)2(CCHN)(C){1|C<4>,2|F<1>,2|H<1>}	F(C[6]C[6]2H)	109.6680	0.204	2	109.6680	0.041	2	109.6680	0.041	2	110.5237	2.523	29	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:4:1:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(F)(H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(NCHH)(H)	F(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(F)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]HH)(NCHH)(H){1|C<4>,4|H<1>}	F(C[6]C[6]2H)	107.7790	0.000	1	107.7790	0.000	1	107.7790	0.000	1	110.5237	2.523	29	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]FF)(F)2	C[6](C[6]C[6]FF)2(CF3)(OH)	F(C[6]C[6]2F)	C[6](C[6]C[6]CO)(C[6]C[6]FF)(F)2{1|C<4>,4|F<1>}	C[6](C[6]C[6]FF)2(CF3)(OH){1|C<4>,4|F<1>}	F(C[6]C[6]2F)	109.7527	0.751	12	109.7527	0.565	12	109.7527	0.565	12	109.7527	0.565	12	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:4:3:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(F)(H)	C[6](C[6]C[4,6]CH)(C[6]C[6]FH)(CH3)(CCO)	F(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(F)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[4,6]CH)(C[6]C[6]FH)(CH3)(CCO){1|O<2>,2|C<4>,2|H<1>}	F(C[6]C[6]2H)	108.1715	0.412	2	108.1715	0.170	2	108.1715	0.170	2	108.1715	0.170	2	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]FH)(F)(H)	C[6](C[6]C[6]FH)2(CCHN)(CH3)	F(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]FH)(F)(H){1|C<4>,1|F<1>,3|H<1>}	C[6](C[6]C[6]FH)2(CCHN)(CH3){1|C<4>,2|F<1>,2|H<1>}	F(C[6]C[6]2H)	109.5322	0.546	10	109.5322	0.298	10	109.3401	0.378	18	109.3401	0.378	18	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]FH)(F)(H)	C[6](C[6]C[6]FH)2(CCHO)(CH3)	F(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]FH)(F)(H){1|C<4>,1|F<1>,3|H<1>}	C[6](C[6]C[6]FH)2(CCHO)(CH3){1|C<4>,2|F<1>,2|H<1>}	F(C[6]C[6]2H)	108.7605	0.035	2	108.7605	0.001	2	109.3401	0.378	18	109.3401	0.378	18	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:1:1:	4:4:4:4:	4:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]FH)(F)(H)	C[6](C[6]C[6]FH)2(CHHO)(CH3)	F(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]FH)(F)(H){1|C<4>,1|F<1>,3|H<1>}	C[6](C[6]C[6]FH)2(CHHO)(CH3){1|C<4>,2|F<1>,2|H<1>}	F(C[6]C[6]2H)	109.2130	0.722	6	109.2130	0.521	6	109.3401	0.378	18	109.3401	0.378	18	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:3:1:	3:3:4:1:	4:	C[6]-4:C[6]-4:C-3:F-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HO)(COO)(F)	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]CF)(H)	F(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HO)(COO)(F){1|S<4>,4|C<3>}	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>}	F(C[6]C[6]2C)	106.2050	0.000	1	106.2050	0.000	1	106.2050	0.000	1	106.2050	0.000	1	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:3:1:	3:4:2:1:	4:	C[6]-4:C[6]-4:C-3:F-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HO)(COO)(F)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CF)(OH)(H)	F(C[6]C[6]2C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HO)(COO)(F){1|S<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CF)(OH)(H){1|N<3>,2|H<1>,3|C<3>}	F(C[6]C[6]2C)	106.4610	0.000	1	106.4610	0.000	1	106.4610	0.000	1	106.4610	0.000	1	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:3:1:	3:4:4:1:	4:	C[6]-4:C[6]-4:C-3:F-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(COO)(F)	C[6](C[6a]C[6a]2)(C[6]C[6]CF)(C[6]C[6]HH)(H)	F(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(COO)(F){3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CF)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	F(C[6]C[6]2C)	108.6230	0.000	1	108.6230	0.000	1	108.6230	0.000	1	108.6230	0.000	1	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:3:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-3:F-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:	C[6](C[6]C[6]FF)2(CIrO)(F)	C[6](C[6]C[6]CF)(C[6]C[6]FF)(F)2	F(C[6]C[6]2C)	C[6](C[6]C[6]FF)2(CIrO)(F){1|C<4>,4|F<1>}	C[6](C[6]C[6]CF)(C[6]C[6]FF)(F)2{1|C<4>,4|F<1>}	F(C[6]C[6]2C)	105.4315	0.497	2	105.4315	0.247	2	105.4315	0.247	2	105.4315	0.247	2	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:3:1:	4:4:3:2:	4:	C[6]-4:C[6]-4:C-3:F-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(COO)(F)	C[6](C[6]C[6]CF)(C[6]C[6]HH)(CCH)(OH)	F(C[6]C[6]2C)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(COO)(F){3|C<3>,4|H<1>}	C[6](C[6]C[6]CF)(C[6]C[6]HH)(CCH)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	F(C[6]C[6]2C)	108.5480	0.000	1	108.5480	0.000	1	108.5480	0.000	1	108.5480	0.000	1	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:F-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CClHH)(F)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CF)(H)2	F(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CClHH)(F){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CF)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	F(C[6]C[6]2C)	108.5140	0.000	1	108.5140	0.000	1	108.5140	0.000	1	106.6935	0.428	17	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:F-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CClHH)(F)	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2	F(C[6]C[6]2C)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CClHH)(F){1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	F(C[6]C[6]2C)	106.8490	0.000	1	106.8490	0.000	1	106.6317	0.222	11	106.6935	0.428	17	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:F-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(F)	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2	F(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(F){1|C<4>,4|H<1>}	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	F(C[6]C[6]2C)	106.7970	0.000	1	106.7970	0.000	1	106.6317	0.222	11	106.6935	0.428	17	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:F-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)(F)	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2	F(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)(F){2|C<4>,3|H<1>}	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	F(C[6]C[6]2C)	107.1030	0.000	1	107.1030	0.000	1	106.6317	0.222	11	106.6935	0.428	17	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:F-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(F)	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2	F(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHH)(F){1|C<4>,4|H<1>}	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	F(C[6]C[6]2C)	106.8865	0.367	2	106.7840	0.085	4	106.6317	0.222	11	106.6935	0.428	17	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:F-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CCHH)(F)	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2	F(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CCHH)(F){1|C<4>,4|H<1>}	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2{1|C<4>,2|F<1>,2|H<1>}	F(C[6]C[6]2C)	106.6815	0.282	2	106.7840	0.085	4	106.6317	0.222	11	106.6935	0.428	17	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:F-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(F)	C[6](C[6]C[6]CF)(C[6]N[6]HH)(H)2	F(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(F){1|N<3>,4|H<1>}	C[6](C[6]C[6]CF)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	F(C[6]C[6]2C)	105.8770	0.543	2	106.2660	0.345	4	106.6317	0.222	11	106.6935	0.428	17	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:F-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(CH3)(F)	C[6](C[6]C[6]CF)(C[6]N[6]HH)(H)2	F(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(CH3)(F){1|N<3>,4|H<1>}	C[6](C[6]C[6]CF)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	F(C[6]C[6]2C)	106.6550	0.366	2	106.2660	0.345	4	106.6317	0.222	11	106.6935	0.428	17	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C-4:F-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)(F)	C[6](C[6]C[6]CF)(N[6]C[6]CH)(H)2	F(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)(F){2|C<4>,3|H<1>}	C[6](C[6]C[6]CF)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	F(C[6]C[6]2C)	106.9640	0.000	1	106.9640	0.000	1	106.9640	0.000	1	106.6935	0.428	17	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:F-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2O)(C[6]C[6]HH)2(F)	C[6](C[6]C[6]2F)(C[6]O[6]HH)(H)2	F(C[6]C[6]3)	C[6](C[6]C[6]2O)(C[6]C[6]HH)2(F){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[6](C[6]C[6]2F)(C[6]O[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	F(C[6]C[6]3)	106.6160	0.560	2	106.6160	0.314	2	106.3405	0.234	4	106.6935	0.428	17	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:4:1:	4:4:1:1:	4:	C[6]-4:C[6]-4:C[6]-4:F-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]C[6]2O)(C[6]C[6]HH)2(F)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]2F)(H)2	F(C[6]C[6]3)	C[6](C[6]C[6]2O)(C[6]C[6]HH)2(F){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]2F)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	F(C[6]C[6]3)	106.0650	0.291	2	106.0650	0.085	2	106.3405	0.234	4	106.6935	0.428	17	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:4:1:	4:4:3:1:	4:	C[6]-4:C[6]-4:C-4:F-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(F)	C[6](C[6]C[6]CF)(C[6]C[6]HH)(NHS)(H)	F(C[6]C[6]2C)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)(F){1|C<4>,4|H<1>}	C[6](C[6]C[6]CF)(C[6]C[6]HH)(NHS)(H){1|C<4>,4|H<1>}	F(C[6]C[6]2C)	104.2070	0.000	1	104.2070	0.000	1	104.2070	0.000	1	104.2070	0.000	1	108.8029	2.436	1126	108.6975	2.858	1222
466	466	830	0:SP3_SP-NON_SP3	C[6]	C[6]	F	4:4:4:1:	4:4:4:2:	4:	C[6]-4:C[6]-4:C[6]-4:F-1:	C[6]-4:C[6]-4:C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6]2O)(C[6]C[6]HH)2(F)	C[6](C[6]C[6]2F)(C[6]C[6]HH)2(OH)	F(C[6]C[6]3)	C[6](C[6]C[6]2O)(C[6]C[6]HH)2(F){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[6](C[6]C[6]2F)(C[6]C[6]HH)2(OH){3|C<4>,8|H<1>}	F(C[6]C[6]3)	105.6745	1.805	2	105.6745	3.259	2	105.6745	3.259	2	105.6745	3.259	2	108.8029	2.436	1126	108.6975	2.858	1222
466	466	846	0:SP3_SP2_SP3	C[3x6]	C[6,6]	C[4]	3:4:4:4:	4:4:1:1:	3:4:2:	C[4]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	Ge[4,5]-3:C[3x6]-4:P[4]-2:	C[3x6](C[4]Ge[4,5]P[4])(C[6,6]C[3x6]HH)3	C[6,6](C[3x6]C[6,6]2C[4])(C[3x6]C[6,6]2H)(H)2	C[4](Ge[4,5]Ge[4,5]P[5])(C[3x6]C[6,6]3)(P[4]Ge[4,5])	C[3x6](C[4]Ge[4,5]P[4])(C[6,6]C[3x6]HH)3{1|Ge<4>,1|P<4>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C[4])(C[3x6]C[6,6]2H)(H)2{1|Ge<3>,1|P<2>,2|C<4>,8|H<1>}	C[4](Ge[4,5]Ge[4,5]P[5])(C[3x6]C[6,6]3)(P[4]Ge[4,5]){3|C<4>,5|C<3>,6|H<1>}	110.9783	2.270	6	110.9783	5.153	6	110.9783	5.153	6	110.9783	5.153	6	110.9866	4.470	9	110.9866	4.470	9
466	466	846	0:SP3_SP2_SP3	C[3x6]	C[6,6]	C[4]	4:4:4:3:	4:4:1:1:	4:3:2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C[4]-3:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:P[4]-3:P[4]-2:	C[3x6](C[6,6]C[3x6]HH)3(C[4]P[4]2)	C[6,6](C[3x6]C[6,6]2C[4])(C[3x6]C[6,6]2H)(H)2	C[4](C[3x6]C[6,6]3)(P[4]P[4]C)(P[4]P[4])	C[3x6](C[6,6]C[3x6]HH)3(C[4]P[4]2){1|C<3>,1|P<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]2C[4])(C[3x6]C[6,6]2H)(H)2{1|P<2>,1|P<3>,2|C<4>,8|H<1>}	C[4](C[3x6]C[6,6]3)(P[4]P[4]C)(P[4]P[4]){1|C<3>,3|C<4>,6|H<1>}	111.0030	2.236	3	111.0030	4.998	3	111.0030	4.998	3	111.0030	4.998	3	110.9866	4.470	9	110.9866	4.470	9
466	466	846	6:SP3_SP2_SP3	C[6]	C[6,6]	C[4,6]	3:4:1:1:	4:4:3:1:	4:3:4:	C[4,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-3:H-1:	C[4,5,6]-4:C[4,6]-3:C[6]-4:	C[6](C[4,6]C[4,5,6]C[4,6])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[4,6]HH)(C[6]C[6,6a]O)(H)	C[4,6](C[4,5,6]C[4,5,6]C[5,5,6]H)(C[4,6]C[4,5,6]C[6])(C[6]C[6,6]HH)	C[6](C[4,6]C[4,5,6]C[4,6])(C[6,6]C[6,6]C[6]H)(H)2{1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[4,6]HH)(C[6]C[6,6a]O)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[4,6](C[4,5,6]C[4,5,6]C[5,5,6]H)(C[4,6]C[4,5,6]C[6])(C[6]C[6,6]HH){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	107.1743	0.332	4	107.1743	0.110	4	107.1743	0.110	4	107.1743	0.110	4	107.1743	0.110	4	106.8546	0.594	5
466	466	846	6:SP3_SP2_SP3	C[6]	C[6]	C[4,6]	3:4:4:1:	4:4:1:1:	4:3:4:	C[4,6]-3:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[4,5,6]-4:C[4]-3:C[6]-4:	C[6](C[4,6]C[4,5,6]C[4])(C[6]C[6]HH)(CCCH)(H)	C[6](C[6]C[4,6]CH)(C[6]C[6]HH)(H)2	C[4,6](C[4,5,6]C[4,5]C[6]O[5])(C[4]C[4,5]C)(C[6]C[6]CH)	C[6](C[4,6]C[4,5,6]C[4])(C[6]C[6]HH)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[4,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[4,6](C[4,5,6]C[4,5]C[6]O[5])(C[4]C[4,5]C)(C[6]C[6]CH){1|O<2>,2|C<4>,5|H<1>}	105.5760	0.000	1	105.5760	0.000	1	105.5760	0.000	1	105.5760	0.000	1	105.5760	0.000	1	106.8546	0.594	5
466	466	849	0:SP3_SP3_SP3	C[6,6]	C[3x6]	P[6]	4:3:3:4:	3:3:4:1:	4:2:2:1:	C[3x6]-4:C[6,6]-3:C[6a]-3:P[6]-4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:O[6]-2:O[6]-2:O-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(C[6a]C[6a]2)(P[6]O[6]2O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a]P[6])(H)	P[6](C[6,6]C[3x6]C[6,6]C[6a])(O[6]C[6])2(O)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(C[6a]C[6a]2)(P[6]O[6]2O){2|C<4>,3|H<1>,6|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a]P[6])(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>,7|C<3>}	P[6](C[6,6]C[3x6]C[6,6]C[6a])(O[6]C[6])2(O){2|C<4>,5|C<3>,5|H<1>}	108.4330	0.000	1	108.4330	0.000	1	108.4330	0.000	1	108.4330	0.000	1	108.4330	0.000	1	112.5975	7.069	49
466	466	849	0:SP3_SP3_SP3	C[6,6]	C[6]	P[6]	4:3:4:1:	4:4:1:1:	4:3:3:4:	P[6]-4:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:B[6]-4:H-1:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6,6](P[6]C[6a]2C[6])(C[6,6]C[6]2)(C[6]B[6]HH)(H)	C[6](C[6,6]C[6,6]P[6]H)(B[6]C[6a]2O[6])(H)2	P[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6,6](P[6]C[6a]2C[6])(C[6,6]C[6]2)(C[6]B[6]HH)(H){1|O<2>,2|C<4>,2|H<1>,7|C<3>}	C[6](C[6,6]C[6,6]P[6]H)(B[6]C[6a]2O[6])(H)2{1|C<4>,8|C<3>}	P[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)2(C[6]C[6]HH){1|B<4>,1|C<4>,6|C<3>,6|H<1>}	110.6710	0.000	1	110.6710	0.000	1	110.6710	0.000	1	110.6710	0.000	1	113.7730	19.245	2	112.5975	7.069	49
466	466	849	0:SP3_SP3_SP3	C[6,6]	C[6]	P[6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:P[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:Se-1:	C[6,6](C[6,6]C[6,6]HH)(P[6]C[6]SeC)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]P[6]H)(C[6]C[6]HH)(H)2	P[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(Se)	C[6,6](C[6,6]C[6,6]HH)(P[6]C[6]SeC)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]P[6]H)(C[6]C[6]HH)(H)2{1|Se<1>,3|C<4>,4|H<1>}	P[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(Se){2|C<4>,6|H<1>}	116.8750	0.000	1	116.8750	0.000	1	116.8750	0.000	1	116.8750	0.000	1	113.7730	19.245	2	112.5975	7.069	49
466	466	849	0:SP3_SP3_SP3	C[6]	C[6]	P[6]	4:3:4:3:	3:4:2:1:	4:2:2:1:	C[6]-4:C[6a]-3:P[6]-4:C[6]-3:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:O[6]-2:O-1:	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(P[6]O[6]2O)(C[6]S[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]P[6])(OH)(H)	P[6](C[6]C[6a]C[6]2)(O[6]C[6])2(O)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(P[6]O[6]2O)(C[6]S[6]C){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]P[6])(OH)(H){1|H<1>,1|O<1>,1|S<2>,2|O<2>,5|C<3>}	P[6](C[6]C[6a]C[6]2)(O[6]C[6])2(O){1|C<4>,1|O<2>,1|S<2>,4|C<3>,5|H<1>}	105.5710	0.000	1	105.5710	0.000	1	105.5710	0.000	1	105.5710	0.000	1	112.6370	6.664	46	112.5975	7.069	49
466	466	849	0:SP3_SP3_SP3	C[6]	C[6]	P[6]	4:4:3:4:	3:4:1:1:	4:2:2:1:	C[6]-4:P[6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6]-4:H-1:O-1:	C[6]-4:O[6]-2:O[6]-2:O-1:	C[6](C[6]C[6,6a]HO)(P[6]O[6]2O)(C[6]O[6]C)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]P[6]C)(H)(O)	P[6](C[6]C[6]2C)(O[6]C[6])2(O)	C[6](C[6]C[6,6a]HO)(P[6]O[6]2O)(C[6]O[6]C)(CH3){2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]P[6]C)(H)(O){1|H<1>,1|O<1>,3|C<3>,3|O<2>}	P[6](C[6]C[6]2C)(O[6]C[6])2(O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	110.9430	0.000	1	110.9430	0.000	1	110.9430	0.000	1	110.9430	0.000	1	112.6370	6.664	46	112.5975	7.069	49
466	466	849	0:SP3_SP3_SP3	C[6]	C[6]	P[6]	4:4:4:1:	4:4:1:1:	3:2:4:4:	P[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:O[6]-2:C[6]-4:B-4:	C[6](P[6]C[6,6a]O[6]B)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]CH)(H)2	P[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]2H)(BH3)	C[6](P[6]C[6,6a]O[6]B)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]P[6]H)(C[6]C[6]CH)(H)2{1|B<4>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	P[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]2H)(BH3){3|C<4>,4|C<3>,4|H<1>}	108.3820	1.519	3	108.3820	2.309	3	108.3820	2.309	3	108.3820	2.309	3	112.6370	6.664	46	112.5975	7.069	49
466	466	849	0:SP3_SP3_SP3	C[6]	C[6]	P[6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:P[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:O-1:	C[6](C[6]C[6]HH)2(P[6]C[6]2O)(H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2	P[6](C[6]C[6a]C[6]H)2(C[6]C[6]2H)(O)	C[6](C[6]C[6]HH)2(P[6]C[6]2O)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,4|H<1>}	P[6](C[6]C[6a]C[6]H)2(C[6]C[6]2H)(O){2|C<4>,5|C<3>,8|H<1>}	113.9930	3.124	2	113.9930	9.759	2	113.9930	9.759	2	113.9930	9.759	2	112.6370	6.664	46	112.5975	7.069	49
466	466	849	0:SP3_SP3_SP3	C[6]	C[6]	P[6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6]-4:C[6]-4:P[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6](C[6]C[6]HH)2(P[6]C[6]3)(H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2	P[6](C[6]C[6]2H)2(C[6]C[6]HH)2	C[6](C[6]C[6]HH)2(P[6]C[6]3)(H){5|C<4>,9|H<1>}	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	P[6](C[6]C[6]2H)2(C[6]C[6]HH)2{12|H<1>,1|P<4>,4|C<4>}	113.6010	1.011	4	113.6010	1.021	4	113.6010	1.021	4	113.0181	4.587	36	112.6370	6.664	46	112.5975	7.069	49
466	466	849	0:SP3_SP3_SP3	C[6]	C[6]	P[6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	P[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	B[3,6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6](P[6]B[3,6]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2	P[6](B[3,6]B[3,6]P[3]H)(C[6]C[6,6a]HH)(C[6]C[6]2H)2	C[6](P[6]B[3,6]C[6]2)(C[6]C[6]HH)2(H){1|B<4>,1|C<3>,1|P<4>,3|C<4>,8|H<1>}	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,4|H<1>}	P[6](B[3,6]B[3,6]P[3]H)(C[6]C[6,6a]HH)(C[6]C[6]2H)2{4|C<4>,5|C<3>,8|H<1>}	112.2308	1.298	4	112.2308	1.686	4	112.2308	1.686	4	113.0181	4.587	36	112.6370	6.664	46	112.5975	7.069	49
466	466	849	0:SP3_SP3_SP3	C[6]	C[6]	P[6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	P[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	B[6,6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6](P[6]B[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2	P[6](B[6,6]C[6,6a]B[6,6]H)(C[6]C[6,6a]HH)(C[6]C[6]2H)2	C[6](P[6]B[6,6]C[6]2)(C[6]C[6]HH)2(H){1|B<4>,2|C<3>,3|C<4>,8|H<1>}	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,4|H<1>}	P[6](B[6,6]C[6,6a]B[6,6]H)(C[6]C[6,6a]HH)(C[6]C[6]2H)2{1|P<3>,1|P<4>,4|C<3>,4|C<4>,8|H<1>}	114.2883	3.561	4	114.2883	12.678	4	114.0375	12.268	8	113.0181	4.587	36	112.6370	6.664	46	112.5975	7.069	49
466	466	849	0:SP3_SP3_SP3	C[6]	C[6]	P[6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	P[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	B[6,6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6](P[6]B[6,6]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2	P[6](B[6,6]C[6,6a]B[6,6]P)(C[6]C[6,6a]HH)(C[6]C[6]2H)2	C[6](P[6]B[6,6]C[6]2)(C[6]C[6]HH)2(H){1|B<4>,1|P<3>,2|C<3>,3|C<4>,7|H<1>}	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,4|H<1>}	P[6](B[6,6]C[6,6a]B[6,6]P)(C[6]C[6,6a]HH)(C[6]C[6]2H)2{1|P<4>,4|C<3>,4|C<4>,9|H<1>}	113.7867	3.973	4	113.7867	15.781	4	114.0375	12.268	8	113.0181	4.587	36	112.6370	6.664	46	112.5975	7.069	49
466	466	849	0:SP3_SP3_SP3	C[6]	C[6]	P[6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	P[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:B[6]-4:C[6]-4:C[6]-4:	C[6](P[6]B[6]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2	P[6](C[6]C[6,6a]HH)(B[6]B[6]HP)(C[6]C[6]2H)2	C[6](P[6]B[6]C[6]2)(C[6]C[6]HH)2(H){1|B<4>,1|C<3>,1|P<3>,3|C<4>,8|H<1>}	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,4|H<1>}	P[6](C[6]C[6,6a]HH)(B[6]B[6]HP)(C[6]C[6]2H)2{1|Br<1>,1|P<4>,2|C<3>,4|C<4>,8|H<1>}	113.1540	0.747	4	113.5263	0.988	8	113.5263	0.988	8	113.0181	4.587	36	112.6370	6.664	46	112.5975	7.069	49
466	466	849	0:SP3_SP3_SP3	C[6]	C[6]	P[6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	P[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:B[6]-4:C[6]-4:C[6]-4:	C[6](P[6]B[6]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2	P[6](C[6]C[6,6a]HH)(B[6]B[6]HP)(C[6]C[6]2H)2	C[6](P[6]B[6]C[6]2)(C[6]C[6]HH)2(H){1|B<4>,1|C<3>,1|P<4>,3|C<4>,8|H<1>}	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,4|H<1>}	P[6](C[6]C[6,6a]HH)(B[6]B[6]HP)(C[6]C[6]2H)2{1|Br<1>,1|P<3>,2|C<3>,4|C<4>,8|H<1>}	113.8985	1.174	4	113.5263	0.988	8	113.5263	0.988	8	113.0181	4.587	36	112.6370	6.664	46	112.5975	7.069	49
466	466	849	0:SP3_SP3_SP3	C[6]	C[6]	P[6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	P[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	In[6]-4:In[6]-4:C[6]-4:C[6]-4:	C[6](P[6]In[6]2C[6])(C[6]C[6]HH)2(H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2	P[6](In[6]P[6]HH)2(C[6]C[6]2H)2	C[6](P[6]In[6]2C[6])(C[6]C[6]HH)2(H){2|P<4>,3|C<4>,9|H<1>}	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2{2|In<4>,2|C<4>,4|H<1>}	P[6](In[6]P[6]HH)2(C[6]C[6]2H)2{1|In<4>,8|C<4>,8|H<1>}	112.0680	1.773	12	112.0680	3.143	12	112.0680	3.143	12	113.0181	4.587	36	112.6370	6.664	46	112.5975	7.069	49
466	466	849	0:SP3_SP3_SP3	C[6]	C[6]	P[6]	4:4:4:1:	4:4:4:1:	3:2:4:4:	P[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6a]-3:O[6]-2:C[6]-4:B-4:	C[6](P[6]C[6,6a]O[6]B)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(CCCH)(H)	P[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]2H)(BH3)	C[6](P[6]C[6,6a]O[6]B)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(CCCH)(H){1|B<4>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	P[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(C[6]C[6]2H)(BH3){3|C<4>,4|C<3>,4|H<1>}	114.3337	0.392	3	114.3337	0.153	3	114.3337	0.153	3	114.3337	0.153	3	112.6370	6.664	46	112.5975	7.069	49
466	466	849	6:SP3_SP3_SP3	C[3x6]	C[6,6]	P[6,6]	4:4:2:4:	4:4:1:1:	4:4:4:1:	P[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[3x6]-4:P[6,6]-4:O-1:	C[3x6](P[6,6]C[3x6]P[6,6]O)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	P[6,6](C[3x6]C[6,6]O[6,6]C)2(P[6,6]C[3x6]2O)(O)	C[3x6](P[6,6]C[3x6]P[6,6]O)(C[6,6]C[3x6]HH)(O[6,6]C[3x6])(CH3){1|O<1>,2|O<2>,6|C<4>}	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|O<1>,1|P<4>,2|C<4>}	P[6,6](C[3x6]C[6,6]O[6,6]C)2(P[6,6]C[3x6]2O)(O){2|O<2>,4|H<1>,6|C<4>}	107.5735	2.312	2	107.5735	5.343	2	107.5735	5.343	2	107.5735	5.343	2	107.4492	1.763	6	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[3x6]	C[6,6]	P[6,6]	4:4:2:4:	4:4:1:1:	4:4:4:4:	C[6,6]-4:P[6,6]-4:O[6,6]-2:C-4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[3x6]-4:C-4:C-4:	C[3x6](C[6,6]C[3x6]HH)(P[6,6]C[3x6]CC)(O[6,6]C[3x6])(CH3)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	P[6,6](C[3x6]C[6,6]O[6,6]C)2(CC[6a]HH)2	C[3x6](C[6,6]C[3x6]HH)(P[6,6]C[3x6]CC)(O[6,6]C[3x6])(CH3){2|O<2>,4|C<4>}	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{4|C<4>}	P[6,6](C[3x6]C[6,6]O[6,6]C)2(CC[6a]HH)2{2|C<4>,4|H<1>}	107.4650	1.676	2	107.4650	2.808	2	107.4650	2.808	2	107.4650	2.808	2	107.4492	1.763	6	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[3x6]	C[6,6]	P[6,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6,6]-4:C[6,6]-4:P[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:C-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(P[6,6]C[6,6]CC)(H)	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]HH)(H)2	P[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CH3)2	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(P[6,6]C[6,6]CC)(H){3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|H<1>,5|C<4>}	P[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CH3)2{3|C<4>,4|H<1>}	107.8530	0.000	1	107.8530	0.000	1	107.8530	0.000	1	107.8530	0.000	1	107.4492	1.763	6	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[3x6]	C[6,6]	P[6,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:C[6,6]-4:P[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:C-4:	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(P[6,6]C[6,6]CC)(H)	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]CC)(CH3)(H)	P[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CH3)2	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)(P[6,6]C[6,6]CC)(H){3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]CC)(CH3)(H){3|H<1>,4|C<4>}	P[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CH3)2{3|C<4>,4|H<1>}	106.7650	0.000	1	106.7650	0.000	1	106.7650	0.000	1	106.7650	0.000	1	107.4492	1.763	6	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[6,6]	C[3x6]	P[6,6]	4:4:1:1:	4:4:4:1:	4:4:4:4:	C[3x6]-4:P[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:C-4:	C[6,6](C[3x6]C[6,6]2H)(P[6,6]C[3x6]CC)(H)2	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]P[6,6]HH)(H)	P[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CH3)2	C[6,6](C[3x6]C[6,6]2H)(P[6,6]C[3x6]CC)(H)2{3|H<1>,4|C<4>}	C[3x6](C[6,6]C[6,6]CC)(C[6,6]C[6,6]HH)(C[6,6]P[6,6]HH)(H){3|H<1>,4|C<4>}	P[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CH3)2{3|C<4>,4|H<1>}	108.2660	0.000	1	108.2660	0.000	1	108.2660	0.000	1	108.2660	0.000	1	108.2660	0.000	1	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[6,6]	C[6,6]	P[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[6,6]-4:P[3x6]-4:H-1:H-1:	Si[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:B-4:	C[6,6](C[6,6]Si[3x6]HH)(P[3x6]C[6,6]2B)(H)2	C[6,6](Si[3x6]C[6,6]2C[6a])(C[6,6]P[3x6]HH)(H)2	P[3x6](C[6,6]C[6,6]HH)3(BH3)	C[6,6](C[6,6]Si[3x6]HH)(P[3x6]C[6,6]2B)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](Si[3x6]C[6,6]2C[6a])(C[6,6]P[3x6]HH)(H)2{1|B<4>,2|C<3>,2|C<4>,4|H<1>}	P[3x6](C[6,6]C[6,6]HH)3(BH3){1|Si<4>,6|H<1>}	114.2833	0.416	3	114.2833	0.173	3	114.2833	0.173	3	114.2833	0.173	3	114.2833	0.173	3	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[6,6]	C[6,6]	P[6,6]	4:4:1:1:	4:4:4:2:	4:4:4:1:	C[6,6]-4:P[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-4:S-1:	C[6,6](C[6,6]C[6]2O)(P[6,6]C[6]2S)(H)2	C[6,6](C[6,6]P[6,6]HH)(C[6]C[6]HH)2(OH)	P[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(S)	C[6,6](C[6,6]C[6]2O)(P[6,6]C[6]2S)(H)2{2|C<4>,8|H<1>}	C[6,6](C[6,6]P[6,6]HH)(C[6]C[6]HH)2(OH){1|S<1>,2|C<4>,4|H<1>}	P[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(S){1|O<2>,2|C<4>,4|H<1>}	109.7810	0.000	1	109.7810	0.000	1	109.7810	0.000	1	109.7810	0.000	1	109.7810	0.000	1	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[6,6]	C[6,6]	P[6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:P[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:Se-1:	C[6,6](C[6,6]C[6,6]HH)(P[6]C[6]SeC)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]P[6]H)(C[6,6]C[6]2H)(H)2	P[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(Se)	C[6,6](C[6,6]C[6,6]HH)(P[6]C[6]SeC)(C[6]C[6]HH)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]P[6]H)(C[6,6]C[6]2H)(H)2{1|Se<1>,3|C<4>,6|H<1>}	P[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(Se){2|C<4>,6|H<1>}	106.0440	0.000	1	106.0440	0.000	1	106.0440	0.000	1	106.0440	0.000	1	106.0440	0.000	1	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[6,6]	C[6]	P[6,6]	4:4:4:1:	4:4:1:1:	4:4:3:3:	P[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:P-3:N-3:	C[6,6](P[6,6]C[6,6]NP)(C[6]C[6]HH)2(H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	P[6,6](C[6,6]C[6]2H)2(PC[6a]2)(NCH)	C[6,6](P[6,6]C[6,6]NP)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|P<3>,2|C<4>,4|H<1>}	P[6,6](C[6,6]C[6]2H)2(PC[6a]2)(NCH){2|C<4>,8|H<1>}	107.6847	0.366	4	107.6847	0.134	4	107.6847	0.134	4	107.6847	0.134	4	108.0189	0.967	12	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[6,6]	C[6]	P[6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	P[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-4:Se-1:	C[6,6](P[6,6]C[6,6]SeC)(C[6]C[6]HH)2(H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	P[6,6](C[6,6]C[6]2H)2(CCHH)(Se)	C[6,6](P[6,6]C[6,6]SeC)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Se<1>,3|C<4>,4|H<1>}	P[6,6](C[6,6]C[6]2H)2(CCHH)(Se){2|C<4>,8|H<1>}	108.7097	1.321	4	108.7097	1.744	4	108.7097	1.744	4	108.7097	1.744	4	108.0189	0.967	12	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[6,6]	C[6]	P[6,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	P[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-4:C-4:	C[6,6](P[6,6]C[6,6]CC)(C[6]C[6]HH)2(H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	P[6,6](C[6,6]C[6]2H)2(CHHO)2	C[6,6](P[6,6]C[6,6]CC)(C[6]C[6]HH)2(H){2|C<4>,5|H<1>}	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	P[6,6](C[6,6]C[6]2H)2(CHHO)2{2|C<4>,8|H<1>}	107.6623	0.844	4	107.6623	0.712	4	107.6623	0.712	4	107.6623	0.712	4	108.0189	0.967	12	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[6]	C[6]	P[6,6]	4:4:1:1:	4:4:1:1:	3:3:4:4:	P[6,6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6](P[6,6]C[6,6]C[6a]C[6])(C[6]B[6]HH)(H)2	C[6](B[6]C[6a]2N[6])(C[6]P[6,6]HH)(H)2	P[6,6](C[6,6]N[6]S[6])(C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](P[6,6]C[6,6]C[6a]C[6])(C[6]B[6]HH)(H)2{1|C<4>,1|N<3>,1|S<2>,2|H<1>,4|C<3>}	C[6](B[6]C[6a]2N[6])(C[6]P[6,6]HH)(H)2{1|C<4>,7|C<3>}	P[6,6](C[6,6]N[6]S[6])(C[6a]C[6a]2)(C[6]C[6]HH)2{2|B<4>,2|C<4>,3|C<3>,4|H<1>}	114.7430	0.000	1	114.7430	0.000	1	112.6548	6.229	4	112.6647	5.912	6	113.2321	5.333	8	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[6]	C[6]	P[6,6]	4:4:1:1:	4:4:1:1:	3:3:4:4:	P[6,6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6](P[6,6]C[6,6]C[6a]C[6])(C[6]B[6]HH)(H)2	C[6](B[6]C[6a]2O[6])(C[6]P[6,6]HH)(H)2	P[6,6](C[6,6]O[6]2)(C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](P[6,6]C[6,6]C[6a]C[6])(C[6]B[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6](B[6]C[6a]2O[6])(C[6]P[6,6]HH)(H)2{1|C<4>,6|C<3>}	P[6,6](C[6,6]O[6]2)(C[6a]C[6a]2)(C[6]C[6]HH)2{2|B<4>,2|C<3>,2|C<4>,4|H<1>}	111.1350	2.967	2	111.1350	8.803	2	112.6548	6.229	4	112.6647	5.912	6	113.2321	5.333	8	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[6]	C[6]	P[6,6]	4:4:1:1:	4:4:1:1:	3:3:4:4:	P[6,6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6](P[6,6]C[6,6]C[6a]C[6])(C[6]B[6]HH)(H)2	C[6](B[6]C[6a]2S[6])(C[6]P[6,6]HH)(H)2	P[6,6](C[6,6]N[6]S[6])(C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](P[6,6]C[6,6]C[6a]C[6])(C[6]B[6]HH)(H)2{1|C<4>,1|N<3>,1|S<2>,2|H<1>,4|C<3>}	C[6](B[6]C[6a]2S[6])(C[6]P[6,6]HH)(H)2{1|C<4>,6|C<3>}	P[6,6](C[6,6]N[6]S[6])(C[6a]C[6a]2)(C[6]C[6]HH)2{2|B<4>,2|C<4>,3|C<3>,4|H<1>}	113.6060	0.000	1	113.6060	0.000	1	112.6548	6.229	4	112.6647	5.912	6	113.2321	5.333	8	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[6]	C[6]	P[6,6]	4:4:1:1:	4:4:1:1:	3:3:4:4:	P[6,6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:S[6,6]-3:C[6]-4:C[6]-4:	C[6](P[6,6]S[6,6]C[6a]C[6])(C[6]B[6]HH)(H)2	C[6](B[6]C[6a]2O[6])(C[6]P[6,6]HH)(H)2	P[6,6](C[6a]C[6a]2)(S[6,6]O[6]2)(C[6]C[6]HH)2	C[6](P[6,6]S[6,6]C[6a]C[6])(C[6]B[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6](B[6]C[6a]2O[6])(C[6]P[6,6]HH)(H)2{1|C<4>,1|S<3>,5|C<3>}	P[6,6](C[6a]C[6a]2)(S[6,6]O[6]2)(C[6]C[6]HH)2{2|B<4>,2|C<3>,2|C<4>,4|H<1>}	112.6845	3.297	2	112.6845	10.872	2	112.6845	10.872	2	112.6647	5.912	6	113.2321	5.333	8	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[6]	C[6]	P[6,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	P[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:S-1:	C[6](P[6,6]C[6,6]C[6]S)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]P[6,6]HH)(H)2	P[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(S)	C[6](P[6,6]C[6,6]C[6]S)(C[6]C[6]HH)(H)2{2|C<4>,6|H<1>}	C[6](C[6]C[6,6]HH)(C[6]P[6,6]HH)(H)2{1|O<2>,1|S<1>,3|C<4>}	P[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(S){1|O<2>,2|C<4>,4|H<1>}	114.9345	0.204	2	114.9345	0.042	2	114.9345	0.042	2	114.9345	0.042	2	113.2321	5.333	8	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[6]	C[6]	P[6]	3:4:4:1:	4:3:1:1:	4:4:4:1:	C[6a]-3:C[6]-4:P[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(P[6]C[6]2O)(H)	C[6](C[6]C[6a]P[6]H)(C[6]C[6]O)(H)2	P[6](C[6]C[6a]C[6]H)2(C[6]C[6]2H)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(P[6]C[6]2O)(H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6a]P[6]H)(C[6]C[6]O)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	P[6](C[6]C[6a]C[6]H)2(C[6]C[6]2H)(O){2|C<4>,5|C<3>,8|H<1>}	112.2045	2.624	2	112.2045	6.886	2	112.2045	6.886	2	112.2045	6.886	2	112.6487	12.522	77	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[6]	C[6]	P[6]	4:3:4:1:	4:3:3:1:	4:2:2:1:	C[6]-4:C[6a]-3:P[6]-4:H-1:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:O[6]-2:O-2:O-1:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(P[6]O[6]OO)(H)	C[6](C[6]C[6a]P[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	P[6](C[6]C[6a]C[6]H)(O[6]C[6])(OC)(O)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(P[6]O[6]OO)(H){3|H<1>,5|C<3>}	C[6](C[6]C[6a]P[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<1>,2|H<1>,2|O<2>,5|C<3>}	P[6](C[6]C[6a]C[6]H)(O[6]C[6])(OC)(O){1|H<1>,5|C<3>}	107.4890	0.000	1	107.4890	0.000	1	107.4890	0.000	1	107.4890	0.000	1	112.6487	12.522	77	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[6]	C[6]	P[6]	4:4:1:1:	2:4:4:1:	2:4:4:4:	C[6]-4:P[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:C-4:C-4:	C[6](C[6]O[6]CH)(P[6]O[6]CC)(H)2	C[6](O[6]In[3x6])(C[6]P[6]HH)(CC3)(H)	P[6](O[6]In[3x6])(C[6]C[6]HH)(CC3)2	C[6](C[6]O[6]CH)(P[6]O[6]CC)(H)2{1|In<6>}	C[6](O[6]In[3x6])(C[6]P[6]HH)(CC3)(H){2|C<4>,5|O<2>}	P[6](O[6]In[3x6])(C[6]C[6]HH)(CC3)2{1|C<4>,1|H<1>,5|O<2>}	115.7140	0.940	3	115.7140	0.884	3	115.5694	0.813	5	115.5694	0.813	5	112.6487	12.522	77	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[6]	C[6]	P[6]	4:4:1:1:	2:4:4:1:	2:4:4:4:	C[6]-4:P[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:C-4:C-4:	C[6](C[6]O[6]CH)(P[6]O[6]CC)(H)2	C[6](O[6]In[6,6])(C[6]P[6]HH)(CC3)(H)	P[6](O[6]In[6,6])(C[6]C[6]HH)(CC3)2	C[6](C[6]O[6]CH)(P[6]O[6]CC)(H)2{1|In<5>}	C[6](O[6]In[6,6])(C[6]P[6]HH)(CC3)(H){2|C<4>,4|O<2>}	P[6](O[6]In[6,6])(C[6]C[6]HH)(CC3)2{1|C<4>,1|H<1>,4|O<2>}	115.3525	1.152	2	115.3525	1.327	2	115.5694	0.813	5	115.5694	0.813	5	112.6487	12.522	77	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[6]	C[6]	P[6]	4:4:1:1:	2:4:4:4:	2:4:4:4:	C[6]-4:P[6]-4:H-1:H-1:	O[6]-2:C[6]-4:C-4:C-4:	N[6]-2:C[6]-4:C-4:C-4:	C[6](C[6]O[6]CC)(P[6]N[6]CC)(H)2	C[6](O[6]Ge[5,6])(C[6]P[6]HH)(CF3)2	P[6](N[6]Ge[5,6])(C[6]C[6]HH)(CC3)2	C[6](C[6]O[6]CC)(P[6]N[6]CC)(H)2{1|Ge<4>}	C[6](O[6]Ge[5,6])(C[6]P[6]HH)(CF3)2{1|N<2>,1|O<2>,1|P<3>,2|C<4>}	P[6](N[6]Ge[5,6])(C[6]C[6]HH)(CC3)2{1|P<3>,2|C<4>,2|O<2>}	117.7610	0.000	1	117.7610	0.000	1	117.7610	0.000	1	117.7610	0.000	1	112.6487	12.522	77	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[6]	C[6]	P[6]	4:4:1:1:	3:4:1:1:	3:3:3:4:	P[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6](P[6]C[6,6a]C[6a]2)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6a]C[6a])(C[6]P[6]HH)(H)2	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6](P[6]C[6,6a]C[6a]2)(C[6]N[6]HH)(H)2{7|C<3>}	C[6](N[6]C[6,6a]C[6a])(C[6]P[6]HH)(H)2{6|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HH){1|N<3>,1|O<2>,6|C<3>,6|H<1>}	106.9880	0.000	1	106.4620	0.553	2	106.4620	0.553	2	106.4620	0.553	2	112.6487	12.522	77	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[6]	C[6]	P[6]	4:4:1:1:	3:4:1:1:	3:3:3:4:	P[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6](P[6]C[6,6a]C[6a]2)(C[6]N[6]HH)(H)2	C[6](N[6]C[6,6a]C[6a])(C[6]P[6]HH)(H)2	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6](P[6]C[6,6a]C[6a]2)(C[6]N[6]HH)(H)2{7|C<3>}	C[6](N[6]C[6,6a]C[6a])(C[6]P[6]HH)(H)2{6|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HH){1|N<3>,6|C<3>,7|H<1>}	105.9360	0.000	1	106.4620	0.553	2	106.4620	0.553	2	106.4620	0.553	2	112.6487	12.522	77	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[6]	C[6]	P[6]	4:4:1:1:	3:4:1:1:	3:4:4:1:	P[6]-4:C[6]-4:H-1:H-1:	B[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6](P[6]C[6a]C[6]H)(C[6]B[6]HH)(H)2	C[6](B[6]C[6a]O[6])(C[6]P[6]HH)(H)2	P[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]BH)(H)	C[6](P[6]C[6a]C[6]H)(C[6]B[6]HH)(H)2{1|B<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](B[6]C[6a]O[6])(C[6]P[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	P[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]BH)(H){1|B<3>,2|C<3>,2|C<4>,2|H<1>}	115.0655	1.307	2	115.0655	1.709	2	115.0655	1.709	2	115.0655	1.709	2	112.6487	12.522	77	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[6]	C[6]	P[6]	4:4:1:1:	3:4:1:1:	3:4:4:4:	P[6]-4:C[6]-4:H-1:H-1:	B[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:B-4:	C[6](P[6]C[6a]C[6]B)(C[6]B[6]HH)(H)2	C[6](B[6]C[6a]C[6])(C[6]P[6]HH)(H)2	P[6](C[6a]C[6a]2)(C[6]C[6]HH)2(BC[6a]2H)	C[6](P[6]C[6a]C[6]B)(C[6]B[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](B[6]C[6a]C[6])(C[6]P[6]HH)(H)2{1|B<4>,1|C<4>,2|H<1>,3|C<3>}	P[6](C[6a]C[6a]2)(C[6]C[6]HH)2(BC[6a]2H){1|B<3>,2|C<3>,2|C<4>,4|H<1>}	114.7315	0.080	2	114.7315	0.006	2	114.7315	0.006	2	114.7315	0.006	2	112.6487	12.522	77	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[6]	C[6]	P[6]	4:4:1:1:	4:3:1:1:	3:3:4:2:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:O[6]-2:	C[6](P[6]C[6a]2O[6])(C[6]C[6]HH)(H)2	C[6](C[6]P[6]HH)(C[6]B[6]C)(H)2	P[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]B[6])	C[6](P[6]C[6a]2O[6])(C[6]C[6]HH)(H)2{1|B<4>,5|C<3>}	C[6](C[6]P[6]HH)(C[6]B[6]C)(H)2{1|O<2>,4|C<3>}	P[6](C[6a]C[6a]2)2(C[6]C[6]HH)(O[6]B[6]){2|H<1>,4|C<4>,7|C<3>}	106.7590	0.000	1	106.7590	0.000	1	106.7590	0.000	1	106.7590	0.000	1	112.6487	12.522	77	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[6]	C[6]	P[6]	4:4:1:1:	4:3:4:1:	3:4:4:1:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:P-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-1:	C[6](P[6]C[6a]C[6]O)(C[6]C[6]HP)(H)2	C[6](C[6]P[6]HH)(C[6]C[6]Cl)(PC[6a]2O)(H)	P[6](C[6a]C[6a]2)(C[6]C[6]HH)2(O)	C[6](P[6]C[6a]C[6]O)(C[6]C[6]HP)(H)2{1|Cl<1>,2|H<1>,3|C<3>}	C[6](C[6]P[6]HH)(C[6]C[6]Cl)(PC[6a]2O)(H){1|C<3>,1|O<1>,2|C<4>}	P[6](C[6a]C[6a]2)(C[6]C[6]HH)2(O){1|C<4>,1|P<4>,3|C<3>,3|H<1>}	116.1400	0.000	1	116.1400	0.000	1	116.1400	0.000	1	116.1400	0.000	1	112.6487	12.522	77	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[6]	C[6]	P[6]	4:4:1:1:	4:4:1:1:	3:3:3:4:	P[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(H)2	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2	P[6](C[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(H)2{8|C<3>}	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2{1|P<3>,7|C<3>}	P[6](C[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]C[6]HH){1|B<4>,1|P<3>,2|H<1>,4|C<4>,6|C<3>}	106.8310	0.000	1	106.8310	0.000	1	106.8310	0.000	1	113.1425	29.666	6	112.6487	12.522	77	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[6]	C[6]	P[6]	4:4:1:1:	4:4:1:1:	3:3:3:4:	P[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6](P[6]C[6a]2N[6])(C[6]B[6]HH)(H)2	C[6](B[6]C[6a]2O[6])(C[6]P[6]HH)(H)2	P[6](N[6]C[6a]O[6])(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6](P[6]C[6a]2N[6])(C[6]B[6]HH)(H)2{1|O<2>,7|C<3>}	C[6](B[6]C[6a]2O[6])(C[6]P[6]HH)(H)2{1|N<3>,6|C<3>}	P[6](N[6]C[6a]O[6])(C[6a]C[6a]2)2(C[6]C[6]HH){1|B<4>,2|H<1>,4|C<4>,6|C<3>}	115.9330	0.000	1	115.9330	0.000	1	115.9330	0.000	1	113.1425	29.666	6	112.6487	12.522	77	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[6]	C[6]	P[6]	4:4:1:1:	4:4:1:1:	3:3:3:4:	P[6]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6](P[6]C[6a]2C[6])(C[6]C[3,6]HH)(H)2	C[6](C[3,6]C[3,6]C[3]H)(C[6]P[6]HH)(H)2	P[6](C[6]C[3,6]C)(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6](P[6]C[6a]2C[6])(C[6]C[3,6]HH)(H)2{1|H<1>,2|C<4>,5|C<3>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]P[6]HH)(H)2{2|H<1>,4|C<3>}	P[6](C[6]C[3,6]C)(C[6a]C[6a]2)2(C[6]C[6]HH){2|H<1>,5|C<3>,6|C<4>}	106.6790	0.000	1	106.6790	0.000	1	106.6790	0.000	1	113.1425	29.666	6	112.6487	12.522	77	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[6]	C[6]	P[6]	4:4:1:1:	4:4:1:1:	3:3:3:4:	P[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6](P[6]C[5,6]C[6a]2)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]P[6]HH)(H)2	P[6](C[5,6]C[5,6,6]C[5])(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6](P[6]C[5,6]C[6a]2)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,5|C<3>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]P[6]HH)(H)2{1|B<4>,1|C<4>,3|C<3>,3|H<1>}	P[6](C[5,6]C[5,6,6]C[5])(C[6a]C[6a]2)2(C[6]C[6]HH){1|O<2>,3|H<1>,5|C<3>,6|C<4>}	112.3320	0.000	1	112.3320	0.000	1	112.3320	0.000	1	113.1425	29.666	6	112.6487	12.522	77	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[6]	C[6]	P[6]	4:4:1:1:	4:4:1:1:	3:3:3:4:	P[6]-4:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6](P[6]C[6,6a]C[6a]2)(C[6]P[6]HH)(H)2	C[6](P[6]C[6,6a]C[6a]2)(C[6]P[6]HH)(H)2	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6](P[6]C[6,6a]C[6a]2)(C[6]P[6]HH)(H)2{8|C<3>}	C[6](P[6]C[6,6a]C[6a]2)(C[6]P[6]HH)(H)2{8|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HH){1|P<4>,6|C<3>,7|H<1>}	118.5400	0.079	2	118.5400	0.006	2	118.5400	0.006	2	113.1425	29.666	6	112.6487	12.522	77	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[6]	C[6]	P[6]	4:4:1:1:	4:4:1:1:	3:3:4:1:	P[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6](P[6]C[6a]C[6]H)(C[6]B[6]HH)(H)2	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2	P[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](P[6]C[6a]C[6]H)(C[6]B[6]HH)(H)2{6|C<3>}	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2{2|H<1>,6|C<3>}	P[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|B<4>,2|C<4>,3|H<1>,4|C<3>}	106.7360	0.000	1	106.7360	0.000	1	106.7360	0.000	1	106.7360	0.000	1	112.6487	12.522	77	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[6]	C[6]	P[6]	4:4:1:1:	4:4:1:1:	3:3:4:2:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:P[6]-2:	C[6](P[6]C[6a]2P[6])(C[6]C[6]HH)(H)2	C[6](C[6]P[6]HH)2(H)2	P[6](C[6a]C[6a]2)2(C[6]C[6]HH)(P[6]P[6])	C[6](P[6]C[6a]2P[6])(C[6]C[6]HH)(H)2{1|P<4>,2|H<1>,4|C<3>}	C[6](C[6]P[6]HH)2(H)2{1|P<2>,4|C<3>}	P[6](C[6a]C[6a]2)2(C[6]C[6]HH)(P[6]P[6]){1|C<4>,6|C<3>,6|H<1>}	113.8768	1.037	12	113.8768	1.076	12	113.8768	1.076	12	113.8768	1.076	12	112.6487	12.522	77	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[6]	C[6]	P[6]	4:4:1:1:	4:4:1:1:	3:3:4:3:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-3:	C[6](P[6]C[6a]2C[6])(C[6]C[6]HH)(H)2	C[6](C[6]P[6]HH)2(H)2	P[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]P[6]Ga)	C[6](P[6]C[6a]2C[6])(C[6]C[6]HH)(H)2{1|Ga<4>,1|P<4>,2|H<1>,4|C<3>}	C[6](C[6]P[6]HH)2(H)2{5|C<3>}	P[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]P[6]Ga){1|C<4>,6|C<3>,6|H<1>}	113.6355	0.603	2	113.6355	0.364	2	113.6355	0.364	2	113.6355	0.364	2	112.6487	12.522	77	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[6]	C[6]	P[6]	4:4:1:1:	4:4:1:1:	3:3:4:4:	P[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(H)2	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2	P[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]HO)	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2{1|C<4>,2|H<1>,6|C<3>}	P[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]HO){1|B<4>,4|C<3>,4|C<4>,4|H<1>}	107.8810	0.000	1	107.8810	0.000	1	107.8725	0.000	2	107.8725	0.000	2	112.6487	12.522	77	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[6]	C[6]	P[6]	4:4:1:1:	4:4:1:1:	3:3:4:4:	P[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(H)2	C[6](B[6]C[6a]2O[6])(C[6]P[6]HH)(H)2	P[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]O[6]CH)	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(H)2{1|H<1>,1|O<2>,7|C<3>}	C[6](B[6]C[6a]2O[6])(C[6]P[6]HH)(H)2{1|C<4>,6|C<3>}	P[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]O[6]CH){1|B<4>,2|H<1>,4|C<3>,4|C<4>}	107.8640	0.000	1	107.8640	0.000	1	107.8725	0.000	2	107.8725	0.000	2	112.6487	12.522	77	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[6]	C[6]	P[6]	4:4:1:1:	4:4:1:1:	3:4:4:1:	P[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6](P[6]C[6a]C[6]H)(C[6]B[6]HH)(H)2	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2	P[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](P[6]C[6a]C[6]H)(C[6]B[6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2{1|C<4>,3|H<1>,5|C<3>}	P[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|B<4>,2|C<3>,2|C<4>,4|H<1>}	110.9180	1.761	2	110.0267	3.716	4	110.0267	3.716	4	110.0267	3.716	4	112.6487	12.522	77	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[6]	C[6]	P[6]	4:4:1:1:	4:4:1:1:	3:4:4:1:	P[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6](P[6]C[6a]C[6]H)(C[6]B[6]HH)(H)2	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2	P[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](P[6]C[6a]C[6]H)(C[6]B[6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2{1|C<4>,3|H<1>,5|C<3>}	P[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|B<4>,4|C<3>,4|H<1>}	109.1355	2.207	2	110.0267	3.716	4	110.0267	3.716	4	110.0267	3.716	4	112.6487	12.522	77	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[6]	C[6]	P[6]	4:4:1:1:	4:4:1:1:	3:4:4:4:	C[6]-4:P[6]-4:H-1:H-1:	C[6]-4:P[6]-4:H-1:H-1:	B[6]-3:C[6]-4:C-4:C-4:	C[6](C[6]P[6]HH)(P[6]B[6]CC)(H)2	C[6](C[6]P[6]HH)(P[6]B[6]CC)(H)2	P[6](B[6]C[6a]B[6])(C[6]C[6]HH)(CH3)2	C[6](C[6]P[6]HH)(P[6]B[6]CC)(H)2{1|B<3>,1|C<3>,2|C<4>}	C[6](C[6]P[6]HH)(P[6]B[6]CC)(H)2{1|B<3>,1|C<3>,2|C<4>}	P[6](B[6]C[6a]B[6])(C[6]C[6]HH)(CH3)2{1|P<4>,2|H<1>,3|C<3>}	112.2035	0.620	2	112.2035	0.385	2	112.2035	0.385	2	112.1517	0.159	4	112.6487	12.522	77	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[6]	C[6]	P[6]	4:4:1:1:	4:4:1:1:	3:4:4:4:	P[6]-4:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:B-4:	C[6](P[6]C[6a]C[6]B)(C[6]P[6]HH)(H)2	C[6](P[6]C[6a]C[6]B)(C[6]P[6]HH)(H)2	P[6](C[6a]C[6a]2)(C[6]C[6]HH)2(BH3)	C[6](P[6]C[6a]C[6]B)(C[6]P[6]HH)(H)2{1|B<4>,1|C<4>,2|H<1>,3|C<3>}	C[6](P[6]C[6a]C[6]B)(C[6]P[6]HH)(H)2{1|B<4>,1|C<4>,2|H<1>,3|C<3>}	P[6](C[6a]C[6a]2)(C[6]C[6]HH)2(BH3){1|P<4>,2|C<3>,6|H<1>}	112.1000	0.287	2	112.1000	0.082	2	112.1000	0.082	2	112.1517	0.159	4	112.6487	12.522	77	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[6]	C[6]	P[6]	4:4:1:1:	4:4:1:1:	4:2:1:1:	C[6]-4:P[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:O-1:O-1:	C[6](C[6]C[6]HH)(P[6]O[6]OO)(F)(H)	C[6](C[6]C[6]HN)(C[6]P[6]FH)(H)2	P[6](C[6]C[6]FH)(O[6]C[6])(O)2	C[6](C[6]C[6]HH)(P[6]O[6]OO)(F)(H){1|C<4>,1|H<1>,1|N<4>}	C[6](C[6]C[6]HN)(C[6]P[6]FH)(H)2{1|O<2>,2|H<1>,2|O<1>}	P[6](C[6]C[6]FH)(O[6]C[6])(O)2{1|C<4>,4|H<1>}	113.1550	0.000	2	113.1550	0.000	2	113.1550	0.000	2	113.1550	0.000	2	112.6487	12.522	77	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[6]	C[6]	P[6]	4:4:1:1:	4:4:1:1:	4:3:3:4:	P[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[5,6,6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6](P[6]C[5,6,6]C[6a]2)(C[6]B[6]HH)(H)2	C[6](B[6]C[5,6,6]C[6a]2)(C[6]P[6]HH)(H)2	P[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6](P[6]C[5,6,6]C[6a]2)(C[6]B[6]HH)(H)2{1|H<1>,2|C<4>,6|C<3>}	C[6](B[6]C[5,6,6]C[6a]2)(C[6]P[6]HH)(H)2{1|H<1>,2|C<4>,6|C<3>}	P[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]2)2(C[6]C[6]HH){1|B<4>,4|C<3>,4|H<1>,7|C<4>}	106.6950	0.000	1	106.6950	0.000	1	106.6950	0.000	1	107.9023	5.894	3	112.6487	12.522	77	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[6]	C[6]	P[6]	4:4:1:1:	4:4:1:1:	4:3:3:4:	P[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6](P[6]C[5,6]C[6a]2)(C[6]B[6]HH)(H)2	C[6](B[6]C[5,6]C[6a]2)(C[6]P[6]HH)(H)2	P[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6](P[6]C[5,6]C[6a]2)(C[6]B[6]HH)(H)2{1|C<4>,1|H<1>,7|C<3>}	C[6](B[6]C[5,6]C[6a]2)(C[6]P[6]HH)(H)2{1|H<1>,2|C<4>,6|C<3>}	P[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)2(C[6]C[6]HH){1|B<4>,4|H<1>,5|C<3>,5|C<4>}	106.3150	0.000	1	106.3150	0.000	1	106.3150	0.000	1	107.9023	5.894	3	112.6487	12.522	77	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[6]	C[6]	P[6]	4:4:1:1:	4:4:1:1:	4:3:3:4:	P[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(H)2	C[6](B[6]C[6a]2O[6])(C[6]P[6]HH)(H)2	P[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(H)2{1|H<1>,1|O<2>,7|C<3>}	C[6](B[6]C[6a]2O[6])(C[6]P[6]HH)(H)2{1|C<4>,6|C<3>}	P[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)2(C[6]C[6]HH){1|B<4>,2|H<1>,4|C<4>,6|C<3>}	110.6970	0.000	1	110.6970	0.000	1	110.6970	0.000	1	107.9023	5.894	3	112.6487	12.522	77	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[6]	C[6]	P[6]	4:4:1:1:	4:4:1:1:	4:4:2:1:	C[6]-4:P[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:O-1:	C[6](C[6]C[6]HH)(P[6]C[6]OO)(H)2	C[6](C[6]P[6]HH)2(H)2	P[6](C[6]C[6]HH)(C[6]P[6]HH)(OC)(O)	C[6](C[6]C[6]HH)(P[6]C[6]OO)(H)2{1|P<4>,4|H<1>}	C[6](C[6]P[6]HH)2(H)2{1|C<4>,2|O<1>,2|O<2>}	P[6](C[6]C[6]HH)(C[6]P[6]HH)(OC)(O){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	114.9430	0.776	2	114.9430	0.603	2	114.9430	0.603	2	114.9430	0.603	2	112.6487	12.522	77	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[6]	C[6]	P[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	P[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:Se-1:	C[6](P[6]C[6,6]SeC)(C[6]C[6,6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]P[6]HH)(H)2	P[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(Se)	C[6](P[6]C[6,6]SeC)(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]P[6]HH)(H)2{1|Se<1>,3|C<4>,4|H<1>}	P[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(Se){2|C<4>,6|H<1>}	113.3680	0.000	1	113.3680	0.000	1	113.3680	0.000	1	113.3680	0.000	1	112.6487	12.522	77	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[6]	C[6]	P[6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[6]-4:P[6]-4:H-1:H-1:	C[6]-4:P[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6](C[6]P[6]HH)(P[6]C[6]CC)(H)2	C[6](C[6]P[6]HH)(P[6]C[6]CC)(H)2	P[6](C[6]C[6]HH)2(CC[6a]HH)2	C[6](C[6]P[6]HH)(P[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C[6](C[6]P[6]HH)(P[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	P[6](C[6]C[6]HH)2(CC[6a]HH)2{1|P<4>,4|H<1>}	114.7605	1.975	2	114.7605	3.900	2	114.7605	3.900	2	114.5618	1.720	4	112.6487	12.522	77	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[6]	C[6]	P[6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[6]-4:P[6]-4:H-1:H-1:	C[6]-4:P[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6](C[6]P[6]HH)(P[6]C[6]3)(H)2	C[6](C[6]P[6]HH)(P[6]C[6]3)(H)2	P[6](C[6]C[6]2H)2(C[6]C[6]HH)2	C[6](C[6]P[6]HH)(P[6]C[6]3)(H)2{4|H<1>,7|C<4>}	C[6](C[6]P[6]HH)(P[6]C[6]3)(H)2{4|H<1>,7|C<4>}	P[6](C[6]C[6]2H)2(C[6]C[6]HH)2{12|H<1>,1|P<4>,4|C<4>}	114.3630	1.049	2	114.3630	1.101	2	114.3630	1.101	2	114.5618	1.720	4	112.6487	12.522	77	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[6]	C[6]	P[6]	4:4:1:1:	4:4:2:1:	3:3:4:4:	P[6]-4:C[6]-4:H-1:H-1:	P[6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6](P[6]C[6a]2C[6])(C[6]P[6]HO)(H)2	C[6](P[6]C[6a]2C[6])(C[6]P[6]HH)(OH)(H)	P[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]HO)	C[6](P[6]C[6a]2C[6])(C[6]P[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6](P[6]C[6a]2C[6])(C[6]P[6]HH)(OH)(H){1|C<4>,2|H<1>,6|C<3>}	P[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]HO){1|O<2>,1|P<4>,4|C<3>,7|H<1>}	113.0300	0.000	1	113.0300	0.000	1	113.0300	0.000	1	113.0300	0.000	1	112.6487	12.522	77	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[6]	C[6]	P[6]	4:4:1:1:	4:4:2:1:	3:4:2:1:	P[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6a]-3:C[6]-4:O[6]-2:O-1:	C[6](P[6]C[6a]O[6]O)(C[6]C[5,6]HO)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]P[6]HH)(OC)(H)	P[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[5,6])(O)	C[6](P[6]C[6a]O[6]O)(C[6]C[5,6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]P[6]HH)(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	P[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[5,6])(O){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	112.4080	0.000	1	112.4080	0.000	1	112.4080	0.000	1	112.4080	0.000	1	112.6487	12.522	77	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[6]	C[6]	P[6]	4:4:1:1:	4:4:4:4:	3:3:4:4:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6a]-3:C[6a]-3:B[6]-4:C[6]-4:	C[6](P[6]C[6a]2B[6])(C[6]C[6]CC)(H)2	C[6](C[6]P[6]HH)2(CHHP)(CH3)	P[6](C[6a]C[6a]2)2(B[6]P[6]HH)(C[6]C[6]HH)	C[6](P[6]C[6a]2B[6])(C[6]C[6]CC)(H)2{1|P<4>,4|C<3>,4|H<1>}	C[6](C[6]P[6]HH)2(CHHP)(CH3){1|B<4>,4|C<3>}	P[6](C[6a]C[6a]2)2(B[6]P[6]HH)(C[6]C[6]HH){3|C<4>,4|H<1>,6|C<3>}	117.6743	0.982	4	117.6743	0.965	4	117.6743	0.965	4	117.6743	0.965	4	112.6487	12.522	77	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[6]	C[6]	P[6]	4:4:2:1:	4:4:1:1:	3:3:4:4:	P[6]-4:C[6]-4:O-2:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(OC)(H)	C[6](B[6]C[6a]2C[6])(C[6]P[6]HO)(H)2	P[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]HO)	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(OC)(H){1|C<4>,2|H<1>,6|C<3>}	C[6](B[6]C[6a]2C[6])(C[6]P[6]HO)(H)2{1|C<4>,2|H<1>,6|C<3>}	P[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]HO){1|B<4>,4|C<3>,4|C<4>,4|H<1>}	118.3120	0.000	1	118.3120	0.000	1	118.3120	0.000	1	115.3050	18.084	2	112.6487	12.522	77	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[6]	C[6]	P[6]	4:4:2:1:	4:4:1:1:	3:3:4:4:	P[6]-4:C[6]-4:O-2:H-1:	P[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-4:	C[6](P[6]C[6a]2C[6])(C[6]P[6]HH)(OH)(H)	C[6](P[6]C[6a]2C[6])(C[6]P[6]HO)(H)2	P[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]HO)	C[6](P[6]C[6a]2C[6])(C[6]P[6]HH)(OH)(H){1|C<4>,2|H<1>,6|C<3>}	C[6](P[6]C[6a]2C[6])(C[6]P[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,6|C<3>}	P[6](C[6a]C[6a]2)2(C[6]C[6]HH)(C[6]C[6]HO){1|O<2>,1|P<4>,4|C<3>,7|H<1>}	112.2980	0.000	1	112.2980	0.000	1	112.2980	0.000	1	115.3050	18.084	2	112.6487	12.522	77	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[6]	C[6]	P[6]	4:4:2:1:	4:4:2:1:	4:2:4:1:	C[6]-4:P[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:B-4:O-1:	C[6](C[6]C[6]HO)(P[6]O[6]BO)(OC)(H)	C[6](C[6]C[6]HO)(C[6]P[6]HO)(OC)(H)	P[6](C[6]C[6]HO)(O[6]C[6])(BH3)(O)	C[6](C[6]C[6]HO)(P[6]O[6]BO)(OC)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]P[6]HO)(OC)(H){1|B<4>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	P[6](C[6]C[6]HO)(O[6]C[6])(BH3)(O){1|O<2>,2|C<4>,2|H<1>}	112.7210	0.000	1	112.7210	0.000	1	112.7210	0.000	1	112.7210	0.000	1	112.6487	12.522	77	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[6]	C[6]	P[6]	4:4:2:1:	4:4:2:1:	4:2:4:2:	C[6]-4:P[6]-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:O[6]-2:B-4:O-2:	C[6](C[6]C[6]HO)(P[6]O[6]BO)(OH)(H)	C[6](C[6]C[6]HO)(C[6]P[6]HO)(OC)(H)	P[6](C[6]C[6]HO)(O[6]C[6])(BH3)(OC)	C[6](C[6]C[6]HO)(P[6]O[6]BO)(OH)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]P[6]HO)(OC)(H){1|B<4>,1|C<4>,1|H<1>,2|O<2>}	P[6](C[6]C[6]HO)(O[6]C[6])(BH3)(OC){1|O<2>,2|C<4>,2|H<1>}	112.7345	0.391	2	112.7345	0.153	2	112.7345	0.153	2	112.7345	0.153	2	112.6487	12.522	77	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[6]	C[6]	P[6]	4:4:4:1:	4:4:1:1:	3:3:4:3:	P[6]-4:C[6]-4:C-4:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[6]-4:C[6]-3:	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(CH3)(H)	C[6](B[6]C[6a]2C[6])(C[6]P[6]CH)(H)2	P[6](C[6a]C[6a]2)2(C[6]C[6]CH)(C[6]C[6]C)	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(CH3)(H){8|C<3>}	C[6](B[6]C[6a]2C[6])(C[6]P[6]CH)(H)2{1|H<1>,7|C<3>}	P[6](C[6a]C[6a]2)2(C[6]C[6]CH)(C[6]C[6]C){1|B<4>,3|H<1>,4|C<3>,4|F<1>}	104.7050	0.000	1	104.7050	0.000	1	104.7050	0.000	1	104.7050	0.000	1	112.6487	12.522	77	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[6]	C[6]	P[6]	4:4:4:1:	4:4:1:1:	4:3:3:4:	P[6]-4:C[6]-4:C-4:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(CH3)(H)	C[6](B[6]C[6a]2O[6])(C[6]P[6]CH)(H)2	P[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)2(C[6]C[6]CH)	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(CH3)(H){1|H<1>,1|O<2>,7|C<3>}	C[6](B[6]C[6a]2O[6])(C[6]P[6]CH)(H)2{1|C<4>,6|C<3>}	P[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)2(C[6]C[6]CH){1|B<4>,2|H<1>,4|F<1>,6|C<3>}	109.5440	0.000	1	109.5440	0.000	1	109.5440	0.000	1	109.5440	0.000	1	112.6487	12.522	77	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[6]	C[6]	P[6]	4:4:4:1:	4:4:4:1:	4:2:2:1:	C[6]-4:P[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:O-2:O-1:	C[6](C[6]C[6]CH)(P[6]O[6]OO)(CH3)(H)	C[6](C[6]C[6]HN)(C[6]P[6]CH)(CCCH)(H)	P[6](C[6]C[6]CH)(O[6]C[6])(OC)(O)	C[6](C[6]C[6]CH)(P[6]O[6]OO)(CH3)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HN)(C[6]P[6]CH)(CCCH)(H){1|O<1>,2|H<1>,2|O<2>}	P[6](C[6]C[6]CH)(O[6]C[6])(OC)(O){2|C<4>,3|H<1>}	108.7040	0.000	1	108.7040	0.000	1	108.7040	0.000	1	111.0475	10.984	2	112.6487	12.522	77	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[6]	C[6]	P[6]	4:4:4:1:	4:4:4:1:	4:2:2:1:	C[6]-4:P[6]-4:C-4:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6]-4:O[6]-2:O-2:O-1:	C[6](C[6]C[6]HS)(P[6]O[6]OO)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]P[6]CH)(SC[6a]OO)(H)	P[6](C[6]C[6]CH)(O[6]C[6])(OC)(O)	C[6](C[6]C[6]HS)(P[6]O[6]OO)(CCHH)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]P[6]CH)(SC[6a]OO)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>}	P[6](C[6]C[6]CH)(O[6]C[6])(OC)(O){1|S<4>,2|C<4>,2|H<1>}	113.3910	0.000	1	113.3910	0.000	1	113.3910	0.000	1	111.0475	10.984	2	112.6487	12.522	77	111.8135	13.278	109
466	466	849	6:SP3_SP3_SP3	C[6]	C[6]	P[6]	4:4:4:4:	4:4:1:1:	4:3:4:1:	P[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	P[6]-4:C[6a]-3:C[6]-4:S-1:	C[6](P[6]C[6a]P[6]S)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]HH)(C[6]P[6]CC)(H)2	P[6](P[6]C[6a]C[6]S)(C[6a]C[6a]2)(C[6]C[6]CC)(S)	C[6](P[6]C[6a]P[6]S)(C[6]C[6]HH)(CH3)2{1|C<4>,1|S<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]P[6]CC)(H)2{1|C<3>,1|P<4>,1|S<1>,2|C<4>}	P[6](P[6]C[6a]C[6]S)(C[6a]C[6a]2)(C[6]C[6]CC)(S){3|C<4>,4|C<3>,4|H<1>}	107.1945	0.886	2	107.1945	0.785	2	107.1945	0.785	2	107.1945	0.785	2	112.6487	12.522	77	111.8135	13.278	109
466	466	852	0:SP3_SP3_SP3	C[6]	C[6]	P[3]	3:4:4:1:	4:4:1:1:	4:4:4:	P[3]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3,3]-4:C[3,3]-4:C[6]-4:	C[6](P[3]C[3,3]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]P[3]H)(C[6]C[6]HH)(H)2	P[3](C[3,3]C[3,3]P[3]C)2(C[6]C[6]2H)	C[6](P[3]C[3,3]2)(C[6]C[6]HH)2(H){1|P<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]P[3]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	P[3](C[3,3]C[3,3]P[3]C)2(C[6]C[6]2H){3|C<4>,4|H<1>}	108.9030	2.353	4	108.9030	5.538	4	108.9030	5.538	4	108.9030	5.538	4	108.9030	5.538	4	108.9030	5.538	4
466	466	853	0:SP3_SP2_SP3	C[6]	C[6]	C[3a]	4:3:4:1:	4:4:1:1:	3:3:4:	C[6]-4:C[3a]-3:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[3a]-3:C[3a]-3:C[6]-4:	C[6](C[6]C[6,6]HH)(C[3a]C[3a]2)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3a]C[6]H)(H)2	C[3a](C[3a]C[3a]H)(C[3a]C[3a]O)(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[3a]C[3a]2)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3a]C[6]H)(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[3a](C[3a]C[3a]H)(C[3a]C[3a]O)(C[6]C[6]2H){2|C<4>,4|H<1>}	113.7110	0.000	1	113.7110	0.000	1	113.7110	0.000	1	113.0295	0.929	2	113.0295	0.929	2	113.0295	0.929	2
466	466	853	0:SP3_SP2_SP3	C[6]	C[6]	C[3a]	4:3:4:1:	4:4:1:1:	3:3:4:	C[6]-4:C[3a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3a]-3:C[3a]-3:C[6]-4:	C[6](C[6]C[6,6]HH)(C[3a]C[3a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[3a]C[6]H)(C[6]C[6,6]HH)(H)2	C[3a](C[3a]C[3a]H)(C[3a]C[3a]O)(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[3a]C[3a]2)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[3a]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[3a](C[3a]C[3a]H)(C[3a]C[3a]O)(C[6]C[6]2H){2|C<4>,4|H<1>}	112.3480	0.000	1	112.3480	0.000	1	112.3480	0.000	1	113.0295	0.929	2	113.0295	0.929	2	113.0295	0.929	2
466	466	854	0:SP3_SP3_SP3	C[3x6]	C[6]	N[6]	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6a]-3:C[3x6]-4:C[6]-4:N[6]-4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]O)(C[6]C[6]HH)(N[6]C[6]HH)	C[6](C[3x6]C[6,6a]C[3x6]N[6])(C[6]C[6]CH)(H)2	N[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]O)(C[6]C[6]HH)(N[6]C[6]HH){1|C<3>,1|N<2>,4|C<4>,7|H<1>}	C[6](C[3x6]C[6,6a]C[3x6]N[6])(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	N[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	107.0940	0.000	1	107.0940	0.000	1	107.0940	0.000	1	107.0940	0.000	1	107.0940	0.000	1	111.5169	4.593	71
466	466	854	0:SP3_SP3_SP3	C[6,6]	C[6,6]	N[6]	4:3:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6,6]-3:N[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(N[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(N[6]C[6]HH)(H){1|N<4>,2|C<4>,9|H<1>}	C[6,6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	113.2020	0.000	1	113.2020	0.000	1	113.2020	0.000	1	113.2020	0.000	1	112.3237	0.970	3	111.5169	4.593	71
466	466	854	0:SP3_SP3_SP3	C[6,6]	C[6,6]	N[6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:N[6]-4:H-1:	C[6,6]-4:C[4,6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[6]C[6]2H)(H)	C[6,6](C[6,6]C[6,6]N[6]H)(C[4,6,6]C[4,6]2H)(H)2	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[6]C[6]2H)(H){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]N[6]H)(C[4,6,6]C[4,6]2H)(H)2{1|O<2>,4|H<1>,5|C<4>}	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)2(H){2|C<4>,2|O<2>,7|H<1>}	112.5100	0.000	1	112.5100	0.000	1	112.5100	0.000	1	112.5100	0.000	1	112.3237	0.970	3	111.5169	4.593	71
466	466	854	0:SP3_SP3_SP3	C[6,6]	C[6,6]	N[6]	4:4:4:1:	4:4:2:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:N[6]-4:H-1:	C[6,6]-4:C[4,6,6]-4:O-2:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[6]C[6]2H)(H)	C[6,6](C[6,6]C[6,6]N[6]H)(C[4,6,6]C[4,6]2H)(OH)(H)	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)2(H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(N[6]C[6]2H)(H){4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]N[6]H)(C[4,6,6]C[4,6]2H)(OH)(H){5|C<4>,5|H<1>}	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)2(H){2|C<4>,2|O<2>,7|H<1>}	111.2590	0.000	1	111.2590	0.000	1	111.2590	0.000	1	111.2590	0.000	1	112.3237	0.970	3	111.5169	4.593	71
466	466	854	0:SP3_SP3_SP3	C[6,6]	C[6]	N[6]	3:4:4:1:	3:4:1:1:	4:4:4:1:	C[6,6]-3:C[6]-4:N[6]-4:H-1:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a,6]HH)(N[6]C[6]CH)(H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2	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[6,6a]C[6])(C[6]C[5a,6]HH)(N[6]C[6]CH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2{1|N<3>,2|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)(H){3|H<1>,4|C<3>}	109.2970	0.000	1	109.2970	0.000	1	109.2970	0.000	1	109.2970	0.000	1	112.0709	3.617	44	111.5169	4.593	71
466	466	854	0:SP3_SP3_SP3	C[6,6]	C[6]	N[6]	3:4:4:1:	4:3:1:1:	4:4:4:1:	C[6,6,6a]-3:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	C[6](C[6,6]C[6,6,6a]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)2	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[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6,6a]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)2{2|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)(H){3|C<3>,4|H<1>}	109.9760	0.000	1	109.9760	0.000	1	109.9760	0.000	1	109.9760	0.000	1	112.0709	3.617	44	111.5169	4.593	71
466	466	854	0:SP3_SP3_SP3	C[6,6]	C[6]	N[6]	3:4:4:1:	4:4:1:1:	4:4:1:1:	N[6,6]-3:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6](N[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[6]HH)(H)2	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2	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>}	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	108.0770	0.000	1	108.0770	0.000	1	108.0770	0.000	1	108.0770	0.000	1	112.0709	3.617	44	111.5169	4.593	71
466	466	854	0:SP3_SP3_SP3	C[6,6]	C[6]	N[6]	4:4:4:1:	3:4:1:1:	4:4:4:1:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{2|C<3>,3|H<1>,4|C<4>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,5|H<1>}	114.1530	0.000	1	113.4107	0.468	3	112.9255	1.493	16	112.3169	2.498	23	112.0709	3.617	44	111.5169	4.593	71
466	466	854	0:SP3_SP3_SP3	C[6,6]	C[6]	N[6]	4:4:4:1:	3:4:1:1:	4:4:4:1:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{2|C<3>,3|H<1>,4|C<4>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,5|H<1>}	113.0395	0.330	2	113.4107	0.468	3	112.9255	1.493	16	112.3169	2.498	23	112.0709	3.617	44	111.5169	4.593	71
466	466	854	0:SP3_SP3_SP3	C[6,6]	C[6]	N[6]	4:4:4:1:	3:4:1:1:	4:4:4:1:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{3|C<3>,3|C<4>,3|H<1>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,5|H<1>}	112.1319	0.369	8	112.1319	0.136	8	112.9255	1.493	16	112.3169	2.498	23	112.0709	3.617	44	111.5169	4.593	71
466	466	854	0:SP3_SP3_SP3	C[6,6]	C[6]	N[6]	4:4:4:1:	3:4:1:1:	4:4:4:1:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	112.1240	0.000	1	112.1240	0.000	1	112.9255	1.493	16	112.3169	2.498	23	112.0709	3.617	44	111.5169	4.593	71
466	466	854	0:SP3_SP3_SP3	C[6,6]	C[6]	N[6]	4:4:4:1:	3:4:1:1:	4:4:4:1:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	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[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	114.3492	1.415	4	114.3492	2.003	4	112.9255	1.493	16	112.3169	2.498	23	112.0709	3.617	44	111.5169	4.593	71
466	466	854	0:SP3_SP3_SP3	C[6,6]	C[6]	N[6]	4:4:4:1:	3:4:1:1:	4:4:4:1:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:O-1:	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CO)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(O)	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CO)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	112.4820	0.000	1	112.4820	0.000	1	112.4820	0.000	1	112.3169	2.498	23	112.0709	3.617	44	111.5169	4.593	71
466	466	854	0:SP3_SP3_SP3	C[6,6]	C[6]	N[6]	4:4:4:1:	3:4:1:1:	4:4:4:1:	C[5x6]-4:C[6]-4:N[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5x6]N[6]H)(H)2	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5x6]N[6]H)(H)2{2|C<3>,2|H<1>,5|C<4>}	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(H){1|C<3>,3|C<4>,4|H<1>}	110.3440	0.000	1	110.3440	0.000	1	110.6188	0.935	4	112.3169	2.498	23	112.0709	3.617	44	111.5169	4.593	71
466	466	854	0:SP3_SP3_SP3	C[6,6]	C[6]	N[6]	4:4:4:1:	3:4:1:1:	4:4:4:1:	C[5x6]-4:C[6]-4:N[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5x6]N[6]H)(H)2	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<3>,4|C<4>,6|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5x6]N[6]H)(H)2{2|C<3>,2|H<1>,5|C<4>}	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	110.7103	1.163	3	110.7103	1.353	3	110.6188	0.935	4	112.3169	2.498	23	112.0709	3.617	44	111.5169	4.593	71
466	466	854	0:SP3_SP3_SP3	C[6,6]	C[6]	N[6]	4:4:4:1:	3:4:1:1:	4:4:4:1:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[5,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HH)(N[6]C[6]CH)(H)	C[6](C[5,6]C[5,6,6a]C[5])(C[6,6]C[6,6]N[6]H)(H)2	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[6,6a]C[6]H)(C[6]C[5,6]HH)(N[6]C[6]CH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6,6a]C[5])(C[6,6]C[6,6]N[6]H)(H)2{1|N<2>,2|C<3>,3|C<4>,3|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){2|C<3>,2|C<4>,4|H<1>}	108.8330	0.000	1	108.8330	0.000	1	108.8330	0.000	1	112.3169	2.498	23	112.0709	3.617	44	111.5169	4.593	71
466	466	854	0:SP3_SP3_SP3	C[6,6]	C[6]	N[6]	4:4:4:1:	3:4:1:1:	4:4:4:1:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(H)2	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[6,6]CH)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(H)2{2|C<3>,3|H<1>,4|C<4>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,2|C<4>,5|H<1>}	112.6910	0.000	1	112.6910	0.000	1	112.6910	0.000	1	112.3169	2.498	23	112.0709	3.617	44	111.5169	4.593	71
466	466	854	0:SP3_SP3_SP3	C[6,6]	C[6]	N[6]	4:4:4:1:	3:4:1:1:	4:4:4:3:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:N-3:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CN)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(NHH)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CN)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|N<3>,2|H<1>,3|C<3>,3|C<4>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(NHH){1|C<4>,2|C<3>,5|H<1>}	115.4330	0.000	1	115.4330	0.000	1	115.4330	0.000	1	115.4330	0.000	1	112.0709	3.617	44	111.5169	4.593	71
466	466	854	0:SP3_SP3_SP3	C[6,6]	C[6]	N[6]	4:4:4:1:	3:4:1:1:	4:4:4:4:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CC)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(CH3)	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CC)(H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	113.7560	1.328	2	113.7560	1.763	2	113.7560	1.763	2	113.7560	1.763	2	112.0709	3.617	44	111.5169	4.593	71
466	466	854	0:SP3_SP3_SP3	C[6,6]	C[6]	N[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{2|C<3>,3|C<4>,5|H<1>}	108.3850	0.000	1	108.3850	0.000	1	110.0055	5.252	2	109.7048	1.961	4	112.0709	3.617	44	111.5169	4.593	71
466	466	854	0:SP3_SP3_SP3	C[6,6]	C[6]	N[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|N<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)(H)2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	111.6260	0.000	1	111.6260	0.000	1	110.0055	5.252	2	109.7048	1.961	4	112.0709	3.617	44	111.5169	4.593	71
466	466	854	0:SP3_SP3_SP3	C[6,6]	C[6]	N[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:N[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]H)2(H)2	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6]HH)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	N[6](C[6,6]C[6,6]C[6]H)2(H)2{5|C<4>,6|H<1>}	109.4040	0.519	2	109.4040	0.269	2	109.4040	0.269	2	109.7048	1.961	4	112.0709	3.617	44	111.5169	4.593	71
466	466	854	0:SP3_SP3_SP3	C[6,6]	C[6]	N[6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]CH)(H)	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]CH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]HH)(H)2{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)(CCHH)(H){1|O<2>,2|C<4>,5|H<1>}	115.3930	0.000	1	115.3930	0.000	1	113.5410	3.658	4	112.6657	2.577	9	112.0709	3.617	44	111.5169	4.593	71
466	466	854	0:SP3_SP3_SP3	C[6,6]	C[6]	N[6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]CH)(H)	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]HH)(H)2	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[5,6,6]O[5]H)(C[6]C[6]HH)(N[6]C[6]CH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]HH)(H)2{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)(CH3)(H){1|O<2>,2|C<4>,5|H<1>}	114.9890	0.000	1	114.9890	0.000	1	113.5410	3.658	4	112.6657	2.577	9	112.0709	3.617	44	111.5169	4.593	71
466	466	854	0:SP3_SP3_SP3	C[6,6]	C[6]	N[6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,6,6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-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]CH)(H)	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]CH)(H)2	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(N[6]C[6]CH)(H){1|C<3>,5|C<4>,7|H<1>}	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]CH)(H)2{3|H<1>,5|C<4>}	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){4|C<4>,4|H<1>}	111.8910	0.035	2	111.8910	0.001	2	113.5410	3.658	4	112.6657	2.577	9	112.0709	3.617	44	111.5169	4.593	71
466	466	854	0:SP3_SP3_SP3	C[6,6]	C[6]	N[6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(N[6]C[6]CH)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[6,6]N[6]H)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(N[6]C[6]CH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[6,6]N[6]H)(H)2{2|C<3>,4|C<4>,4|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(H){3|C<4>,5|H<1>}	113.7560	0.000	1	113.7560	0.000	1	113.7560	0.000	1	112.6657	2.577	9	112.0709	3.617	44	111.5169	4.593	71
466	466	854	0:SP3_SP3_SP3	C[6,6]	C[6]	N[6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]N[6]H)(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[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]CH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2{3|H<1>,5|C<4>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	111.8150	0.000	1	111.8150	0.000	1	111.6075	0.086	2	112.6657	2.577	9	112.0709	3.617	44	111.5169	4.593	71
466	466	854	0:SP3_SP3_SP3	C[6,6]	C[6]	N[6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(H)2	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]2C)(C[6]C[6]HH)(N[6]C[6]CH)(H){1|O<2>,2|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(H)2{3|H<1>,5|C<4>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]CH)(H){4|C<4>,4|H<1>}	111.4000	0.000	1	111.4000	0.000	1	111.6075	0.086	2	112.6657	2.577	9	112.0709	3.617	44	111.5169	4.593	71
466	466	854	0:SP3_SP3_SP3	C[6,6]	C[6]	N[6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:N[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:B-4:H-1:	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6]BH)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]H)2(BC[6a]3)(H)	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6]BH)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,4|H<1>}	N[6](C[6,6]C[6,6]C[6]H)2(BC[6a]3)(H){5|C<4>,6|H<1>}	111.4280	0.008	2	111.4280	0.000	2	111.4280	0.000	2	112.6657	2.577	9	112.0709	3.617	44	111.5169	4.593	71
466	466	854	0:SP3_SP3_SP3	C[6,6]	C[6]	N[6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(N[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CH3)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(N[6]C[6]HH)(H){2|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	112.1090	0.000	1	112.1090	0.000	1	112.3620	0.128	2	112.3620	0.128	2	112.0709	3.617	44	111.5169	4.593	71
466	466	854	0:SP3_SP3_SP3	C[6,6]	C[6]	N[6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(N[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CN[6]HH)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(N[6]C[6]HH)(H){2|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CN[6]HH)(H){3|C<4>,5|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	112.6150	0.000	1	112.6150	0.000	1	112.3620	0.128	2	112.3620	0.128	2	112.0709	3.617	44	111.5169	4.593	71
466	466	854	0:SP3_SP3_SP3	C[6]	C[6]	N[6]	3:4:4:4:	4:4:1:1:	4:4:4:1:	C[6a]-3:C[6]-4:C[6]-4:N[6]-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(N[6]C[6]2H)	C[6](C[6]C[6a]C[6]N[6])(C[6]C[6]HH)(H)2	N[6](C[6]C[6a]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(N[6]C[6]2H){10|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6a]C[6]N[6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,5|H<1>}	N[6](C[6]C[6a]C[6]2)(C[6]C[6]HH)2(H){2|C<3>,3|C<4>,8|H<1>}	106.8650	1.013	2	106.8650	1.025	2	106.8650	1.025	2	106.8650	1.025	2	110.5443	4.878	23	111.5169	4.593	71
466	466	854	0:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]2H)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]2H)(H){1|C<3>,1|N<2>,3|C<4>,9|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){4|C<4>,7|H<1>}	114.6660	0.000	1	114.6660	0.000	1	111.7330	2.559	9	111.7164	1.940	12	110.5443	4.878	23	111.5169	4.593	71
466	466	854	0:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[6]C[6]2H)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[6]C[6]2H)(H){3|C<4>,8|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,4|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|B<4>,3|C<4>,7|H<1>}	111.2240	0.696	2	111.2240	0.484	2	111.7330	2.559	9	111.7164	1.940	12	110.5443	4.878	23	111.5169	4.593	71
466	466	854	0:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(N[6]C[6]2H)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)2(N[6]C[6]2H)(H){3|C<4>,8|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|N<3>,2|C<4>,8|H<1>}	112.3615	1.094	2	112.1490	0.498	4	111.7330	2.559	9	111.7164	1.940	12	110.5443	4.878	23	111.5169	4.593	71
466	466	854	0:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(N[6]C[6]2H)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)2(N[6]C[6]2H)(H){3|C<4>,8|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|N<4>,2|C<4>,8|H<1>}	111.9365	0.342	2	112.1490	0.498	4	111.7330	2.559	9	111.7164	1.940	12	110.5443	4.878	23	111.5169	4.593	71
466	466	854	0:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6](C[6]C[6]HH)2(N[6]C[6]2H)(H)	C[6](C[6]C[6]N[6]H)(C[6]N[6,6]HH)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)2(N[6]C[6]2H)(H){1|N<4>,2|C<4>,8|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]N[6,6]HH)(H)2{3|H<1>,5|C<4>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){3|C<4>,8|H<1>}	109.9435	1.508	2	109.9435	2.275	2	111.7330	2.559	9	111.7164	1.940	12	110.5443	4.878	23	111.5169	4.593	71
466	466	854	0:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	N[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:In[6]-4:C[6]-4:H-1:	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	N[6](C[6]C[6,6a]HH)(In[6]O[6]CC)(C[6]C[6]2H)(H)	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|In<4>,1|N<3>,2|C<4>,4|H<1>}	N[6](C[6]C[6,6a]HH)(In[6]O[6]CC)(C[6]C[6]2H)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	111.1840	0.000	1	111.2935	0.024	2	111.6667	0.430	3	111.7164	1.940	12	110.5443	4.878	23	111.5169	4.593	71
466	466	854	0:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	N[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:In[6]-4:C[6]-4:H-1:	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	N[6](C[6]C[6,6a]HH)(In[6]O[6]CC)(C[6]C[6]2H)(H)	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|O<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|In<4>,1|N<3>,2|C<4>,4|H<1>}	N[6](C[6]C[6,6a]HH)(In[6]O[6]CC)(C[6]C[6]2H)(H){1|In<4>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	111.4030	0.000	1	111.2935	0.024	2	111.6667	0.430	3	111.7164	1.940	12	110.5443	4.878	23	111.5169	4.593	71
466	466	854	0:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	N[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:In[6]-4:C[6]-4:H-1:	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	N[6](C[6]C[6,6a]HH)(In[6]O[6]Cl2)(C[6]C[6]2H)(H)	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H){2|Cl<1>,1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|In<4>,1|N<3>,2|C<4>,4|H<1>}	N[6](C[6]C[6,6a]HH)(In[6]O[6]Cl2)(C[6]C[6]2H)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	112.4130	0.000	1	112.4130	0.000	1	111.6667	0.430	3	111.7164	1.940	12	110.5443	4.878	23	111.5169	4.593	71
466	466	854	0:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:4:1:1:	5:4:4:1:	N[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	In[4,6]-5:C[6]-4:C[6]-4:H-1:	C[6](N[6]In[4,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	N[6](In[4,6]O[4]2O[6]I)(C[6]C[6,6a]HH)(C[6]C[6]2H)(H)	C[6](N[6]In[4,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|C<4>,1|I<1>,1|O<2>,2|O<3>,6|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|In<5>,1|N<3>,2|C<4>,4|H<1>}	N[6](In[4,6]O[4]2O[6]I)(C[6]C[6,6a]HH)(C[6]C[6]2H)(H){1|In<5>,1|N<3>,2|C<3>,2|C<4>,5|H<1>}	111.4790	0.000	1	111.4790	0.000	1	111.4790	0.000	1	111.4790	0.000	1	110.5443	4.878	23	111.5169	4.593	71
466	466	854	0:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:4:3:1:	4:4:4:1:	N[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:In[6]-4:C[6]-4:H-1:	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCC)(H)	N[6](C[6]C[6,6a]HH)(In[6]O[6]CC)(C[6]C[6]2H)(H)	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCC)(H){1|In<4>,2|C<4>,5|H<1>}	N[6](C[6]C[6,6a]HH)(In[6]O[6]CC)(C[6]C[6]2H)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	111.4220	0.000	1	110.0720	3.645	2	109.5230	2.727	3	109.5230	2.727	3	110.5443	4.878	23	111.5169	4.593	71
466	466	854	0:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:4:3:1:	4:4:4:1:	N[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:In[6]-4:C[6]-4:H-1:	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCC)(H)	N[6](C[6]C[6,6a]HH)(In[6]O[6]CC)(C[6]C[6]2H)(H)	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|O<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCC)(H){1|In<4>,2|C<4>,5|H<1>}	N[6](C[6]C[6,6a]HH)(In[6]O[6]CC)(C[6]C[6]2H)(H){1|In<4>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	108.7220	0.000	1	110.0720	3.645	2	109.5230	2.727	3	109.5230	2.727	3	110.5443	4.878	23	111.5169	4.593	71
466	466	854	0:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:4:3:1:	4:4:4:1:	N[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:In[6]-4:C[6]-4:H-1:	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NC[6a]H)(H)	N[6](C[6]C[6,6a]HH)(In[6]O[6]Cl2)(C[6]C[6]2H)(H)	C[6](N[6]In[6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H){2|Cl<1>,1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NC[6a]H)(H){1|In<4>,2|C<4>,5|H<1>}	N[6](C[6]C[6,6a]HH)(In[6]O[6]Cl2)(C[6]C[6]2H)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	108.4250	0.000	1	108.4250	0.000	1	109.5230	2.727	3	109.5230	2.727	3	110.5443	4.878	23	111.5169	4.593	71
466	466	854	0:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:4:3:1:	5:4:4:1:	N[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	In[4,6]-5:C[6]-4:C[6]-4:H-1:	C[6](N[6]In[4,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCC)(H)	N[6](In[4,6]O[4]2O[6]I)(C[6]C[6,6a]HH)(C[6]C[6]2H)(H)	C[6](N[6]In[4,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<3>,1|C<4>,1|I<1>,1|O<2>,2|O<3>,6|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCC)(H){1|In<5>,2|C<4>,5|H<1>}	N[6](In[4,6]O[4]2O[6]I)(C[6]C[6,6a]HH)(C[6]C[6]2H)(H){1|In<5>,1|N<3>,2|C<3>,2|C<4>,5|H<1>}	110.0250	0.000	1	110.0250	0.000	1	110.0250	0.000	1	110.0250	0.000	1	110.5443	4.878	23	111.5169	4.593	71
466	466	854	0:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:C[6]-4:B-4:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[6]C[6]2H)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(BC[6a]2C)(H)	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[6]C[6]2H)(H){3|C<4>,8|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(BC[6a]2C)(H){3|C<4>,5|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|B<4>,3|C<4>,7|H<1>}	111.3820	0.000	1	111.3820	0.000	1	110.5635	1.340	2	110.9780	1.185	3	110.5443	4.878	23	111.5169	4.593	71
466	466	854	0:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:C[6]-4:B-4:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[6]C[6]2H)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(BC[6a]2H)(H)	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(N[6]C[6]2H)(H){3|C<4>,8|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(BC[6a]2H)(H){3|C<4>,5|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|B<4>,3|C<4>,7|H<1>}	109.7450	0.000	1	109.7450	0.000	1	110.5635	1.340	2	110.9780	1.185	3	110.5443	4.878	23	111.5169	4.593	71
466	466	854	0:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]2H)(H)	C[6](C[6]C[6,6a]N[6]H)(C[6]C[6]N[6]H)(C[6]C[6]HH)(H)	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]2H)(H){1|C<3>,1|N<2>,3|C<4>,9|H<1>}	C[6](C[6]C[6,6a]N[6]H)(C[6]C[6]N[6]H)(C[6]C[6]HH)(H){1|S<4>,2|C<3>,3|C<4>,5|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){4|C<4>,7|H<1>}	111.8070	0.000	1	111.8070	0.000	1	111.8070	0.000	1	110.9780	1.185	3	110.5443	4.878	23	111.5169	4.593	71
466	466	854	0:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:N[6]-4:C-4:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]HH)(CH3)	C[6](C[6]C[6]N[6]C)(C[6]C[6]HH)2(H)	N[6](C[6]C[6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]HH)(CH3){1|C<3>,2|C<4>,8|H<1>}	C[6](C[6]C[6]N[6]C)(C[6]C[6]HH)2(H){1|O<1>,3|C<4>,6|H<1>}	N[6](C[6]C[6]2C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	105.1850	0.000	1	105.1850	0.000	1	105.1850	0.000	1	105.1850	0.000	1	110.5443	4.878	23	111.5169	4.593	71
466	466	854	6:SP3_SP3_SP3	C[3x6]	C[3x6]	N[6,6]	4:4:3:1:	4:3:3:1:	4:4:4:4:	C[3x6]-4:N[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:N[6,6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H)	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(CC[6a]HH)	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>}	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(CC[6a]HH){2|C<4>,2|N<3>,5|H<1>}	110.1430	0.000	1	110.1430	0.000	1	110.1430	0.000	1	110.1430	0.000	1	108.3950	1.057	6	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[3x6]	C[3x6]	N[6,6]	4:4:3:1:	4:4:3:1:	4:4:4:4:	C[3x6]-4:N[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:N[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H)	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(CC[6a]HH)	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>}	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(CC[6a]HH){1|N<3>,1|N<4>,2|C<4>,5|H<1>}	107.8547	0.689	3	108.0853	0.529	4	108.0454	0.405	5	108.0454	0.405	5	108.3950	1.057	6	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[3x6]	C[3x6]	N[6,6]	4:4:3:1:	4:4:3:1:	4:4:4:4:	C[3x6]-4:N[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:N[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H)	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(CC[6a]HH)	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>}	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(CC[6a]HH){1|N<3>,1|N<4>,3|C<4>,4|H<1>}	108.7770	0.000	1	108.0853	0.529	4	108.0454	0.405	5	108.0454	0.405	5	108.3950	1.057	6	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[3x6]	C[3x6]	N[6,6]	4:4:3:1:	4:4:3:1:	4:4:4:4:	C[3x6]-4:N[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:N[6,6]-4:N[6,6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[3x6](C[3x6]N[6,6]2H)(N[6,6]C[6]2C)(N[6,6]C[6]2)(H)	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(CH3)	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>}	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(CH3){1|N<3>,1|N<4>,2|C<4>,5|H<1>}	107.8860	0.000	1	107.8860	0.000	1	108.0454	0.405	5	108.0454	0.405	5	108.3950	1.057	6	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[3x6]	C[3x6]	N[6]	3:4:4:4:	4:4:4:2:	4:4:1:1:	C[6,6a]-3:C[3x6]-4:C[6]-4:N[6]-4:	C[3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]O)(C[6]C[6]HH)(N[6]C[6]HH)	C[3x6](C[3x6]C[6,6a]C[6]N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH)	N[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]O)(C[6]C[6]HH)(N[6]C[6]HH){1|C<3>,1|N<2>,4|C<4>,7|H<1>}	C[3x6](C[3x6]C[6,6a]C[6]N[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(OH){10|H<1>,2|C<3>,2|C<4>}	N[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	107.2840	0.000	1	107.2840	0.000	1	107.2840	0.000	1	107.2840	0.000	1	107.2840	0.000	1	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[3x6]	C[6,6]	N[4x6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	N[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[3x6](N[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6a]O[6]H)(H)	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	N[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH)	C[3x6](N[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6a]O[6]H)(H){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	N[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	106.8880	0.000	1	106.8880	0.000	1	106.8880	0.000	1	106.8880	0.000	1	106.8880	0.000	1	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[3x6]	C[6,6]	N[6,6]	3:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6,6a]-3:C[6,6]-4:N[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	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]CH)(H)	C[6,6](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6]C[3x6]C[6]C)(H)2	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H)	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]CH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6]C[3x6]C[6]C)(H)2{2|C<4>,2|H<1>,4|C<3>}	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	105.1840	0.000	1	105.1840	0.000	1	105.1840	0.000	1	105.1840	0.000	1	110.0296	7.648	20	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[3x6]	C[6,6]	N[6,6]	3:4:4:1:	4:4:3:4:	4:4:4:1:	C[5a,6,6]-3:C[6,6]-4:N[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-3:C-4:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6](C[5a,6,6]C[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2H)(H)	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]H)(CCHH)	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[5a,6]N[5a,6])(C[6,6]C[6]2C)(N[6,6]C[6]2H)(H){2|C<4>,3|C<3>,7|H<1>}	C[6,6](C[3x6]C[5a,6,6]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|N<3>,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(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	113.6720	0.000	1	113.6720	0.000	1	113.6720	0.000	1	113.6720	0.000	1	110.0296	7.648	20	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[3x6]	C[6,6]	N[6,6]	4:4:3:1:	4:3:4:3:	4:4:4:1:	C[6,6]-4:N[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[5a]-3:C[6,6]-4:C-3:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6](C[6,6]C[6,6]C[5a]C)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(H)	C[3x6](C[6,6]C[6,6]C[5a]C)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO){3|C<3>,3|H<1>,4|C<4>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	111.0765	0.435	2	111.0765	0.189	2	111.0765	0.189	2	111.0765	0.189	2	110.0296	7.648	20	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[3x6]	C[6,6]	N[6,6]	4:4:3:4:	4:4:2:1:	4:4:4:1:	C[6,6]-4:N[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-4:C-2:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6](C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(CF3)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(CN)(H)	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(CH3)(H)	C[3x6](C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(CF3){2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(CN)(H){1|C<3>,2|C<4>,3|H<1>}	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	106.9830	0.000	1	106.9830	0.000	1	106.9830	0.000	1	106.9830	0.000	1	110.0296	7.648	20	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[3x6]	C[6,6]	N[6,6]	4:4:3:4:	4:4:3:1:	4:4:4:1:	C[6,6]-4:N[6,6]-4:C[6,6]-3:C-4:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6](C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(CF3)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(COO)(H)	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(CH3)(H)	C[3x6](C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(CF3){2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(COO)(H){1|C<3>,2|C<4>,3|H<1>}	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	108.4710	0.000	1	108.4710	0.000	1	108.4710	0.000	1	108.4710	0.000	1	110.0296	7.648	20	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[3x6]	C[6,6]	N[6,6]	4:4:4:1:	4:3:4:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:N[6,6]-4:H-1:	C[3x6]-4:C[5a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:O-1:	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]CO)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(O)	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]CO)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(H){1|O<1>,3|C<3>,3|H<1>,4|C<4>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(O){2|C<3>,2|C<4>,3|H<1>}	110.3490	0.000	1	110.3490	0.000	1	110.3490	0.000	1	110.3490	0.000	1	110.0296	7.648	20	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[3x6]	C[6,6]	N[6,6]	4:4:4:1:	4:3:4:3:	4:4:4:1:	C[6,6]-4:C[6,6]-4:N[6,6]-4:H-1:	C[3x6]-4:C[5a]-3:C[6,6]-4:C-3:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(H)	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[5a]C[5a]N[5a])(C[6,6]C[3x6]HH)(COO){2|C<3>,4|H<1>,5|C<4>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(H){2|C<3>,2|H<1>,3|C<4>}	110.3720	0.000	1	110.3720	0.000	1	110.3720	0.000	1	110.3720	0.000	1	110.0296	7.648	20	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[3x6]	C[6,6]	N[6,6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6,6]-4:C[6,6]-4:N[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6](C[6,6]C[6,6]HH)2(N[6,6]C[6,6]HH)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)2(N[6,6]C[6,6]HH)(H){1|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|C<4>,5|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{2|C<4>,5|H<1>}	106.9395	1.699	2	106.9395	2.887	2	106.9395	2.887	2	106.9395	2.887	2	110.0296	7.648	20	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[3x6]	C[6,6]	N[6,6]	4:4:4:1:	4:4:3:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:N[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:C-4:O-1:	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]CO)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCO)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(O)	C[3x6](C[6,6]C[6,6]C[5a]H)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]CO)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCO)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(O){2|C<3>,2|C<4>,3|H<1>}	105.7370	0.000	1	105.7370	0.000	1	105.7370	0.000	1	105.7370	0.000	1	110.0296	7.648	20	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[3x6]	C[6,6]	N[6,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:N[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(H)	C[3x6](C[6,6]C[6,6]C[5a]C)(C[6,6]C[6,6]CH)(N[6,6]C[6,6]CH)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H){2|C<3>,2|H<1>,3|C<4>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(H){2|C<3>,2|H<1>,3|C<4>}	107.0880	0.000	1	107.0880	0.000	1	107.0880	0.000	1	110.8412	4.978	6	110.0296	7.648	20	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[3x6]	C[6,6]	N[6,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:N[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2H)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(H)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2H)(H){11|H<1>,1|N<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(H){4|C<4>,6|H<1>}	111.6635	2.565	2	111.6635	6.578	2	111.6635	6.578	2	110.8412	4.978	6	110.0296	7.648	20	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[3x6]	C[6,6]	N[6,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:N[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:O-1:	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(N[6,6]C[6]2O)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(O)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(N[6,6]C[6]2O)(H){11|H<1>,1|N<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,4|C<4>,4|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(O){1|O<2>,4|C<4>,5|H<1>}	112.4330	0.000	1	112.4330	0.000	1	112.4330	0.000	1	110.8412	4.978	6	110.0296	7.648	20	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[3x6]	C[6,6]	N[6,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6,6]-4:N[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2H)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(H)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2H)(H){11|H<1>,1|N<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(H){4|C<4>,6|H<1>}	111.0995	0.453	2	111.0995	0.205	2	111.0995	0.205	2	110.8412	4.978	6	110.0296	7.648	20	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[3x6]	C[6,6]	N[6,6]	4:4:4:1:	4:4:4:1:	4:4:4:2:	C[6,6]-4:C[6,6]-4:N[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:O-2:	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2O)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(OH)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2O)(H){11|H<1>,1|N<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,5|C<4>,5|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(OH){4|C<4>,6|H<1>}	112.8370	0.000	1	112.8370	0.000	1	112.8370	0.000	1	112.9475	0.024	2	110.0296	7.648	20	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[3x6]	C[6,6]	N[6,6]	4:4:4:1:	4:4:4:1:	4:4:4:2:	C[6,6]-4:C[6,6]-4:N[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:O-2:	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2O)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(OH)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(N[6,6]C[6]2O)(H){11|H<1>,1|N<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(OH){4|C<4>,6|H<1>}	113.0580	0.000	1	113.0580	0.000	1	113.0580	0.000	1	112.9475	0.024	2	110.0296	7.648	20	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[3x6]	C[6,6]	N[6,6]	4:4:4:1:	4:4:4:2:	4:4:4:1:	C[6,6]-4:C[6,6]-4:N[6,6]-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:O-2:	C[3x6]-4:C[6]-4:C[6]-4:O-1:	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(N[6,6]C[6]2O)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(OH)	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(O)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(N[6,6]C[6]2O)(H){11|H<1>,1|N<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(O){1|O<2>,4|C<4>,5|H<1>}	112.8490	0.000	1	112.8490	0.000	1	112.8490	0.000	1	112.8490	0.000	1	110.0296	7.648	20	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[3x6]	C[6]	N[4x6]	4:4:4:1:	4:3:2:1:	4:4:4:4:	N[4x6]-4:C[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6a]-3:O[6]-2:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[3x6](N[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6a]O[6]H)(H)	C[6](C[3x6]C[6,6]N[4x6]H)(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H)	N[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH)	C[3x6](N[4x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(C[6]C[6a]O[6]H)(H){2|C<3>,3|C<4>,7|H<1>}	C[6](C[3x6]C[6,6]N[4x6]H)(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H){1|O<1>,3|C<3>,3|H<1>,5|C<4>}	N[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	109.8080	0.000	1	109.8080	0.000	1	109.8080	0.000	1	109.8080	0.000	1	109.8080	0.000	1	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[4x6]	C[6,6]	N[4x6]	4:3:4:4:	4:3:1:1:	4:4:2:1:	N[4x6]-4:N[4x6]-3:C[6,6]-4:C-4:	C[4x6]-4:N[3x6]-3:H-1:H-1:	C[4x6]-4:C[4x6]-4:O[6,6]-2:H-1:	C[4x6](N[4x6]C[4x6]O[6,6]H)(N[4x6]C[4x6]O[6,6])(C[6,6]N[3x6]HH)(CH3)	C[6,6](C[4x6]N[4x6]2C)(N[3x6]C[6,6]2)(H)2	N[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6])(H)	C[4x6](N[4x6]C[4x6]O[6,6]H)(N[4x6]C[4x6]O[6,6])(C[6,6]N[3x6]HH)(CH3){1|B<4>,1|N<3>,4|C<4>}	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[4x6](C[4x6]C[6,6]N[4x6]C)2(O[6,6]B[3x6])(H){1|C<3>,1|C<4>,1|N<3>,2|O<2>,4|H<1>}	106.9970	0.604	2	106.9970	0.365	2	106.9970	0.365	2	106.9970	0.365	2	106.9970	0.365	2	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[3x6]	N[3x6]	4:4:1:1:	4:3:3:1:	4:4:4:4:	C[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-3:N[6,6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6](C[3x6]N[6,6]2H)(N[3x6]C[6,6]2C)(H)2	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]H)2(H)	N[3x6](C[6,6]C[3x6]HH)3(CC[6a]HH)	C[6,6](C[3x6]N[6,6]2H)(N[3x6]C[6,6]2C)(H)2{2|C<4>,6|H<1>}	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[3x6](C[6,6]C[3x6]HH)3(CC[6a]HH){3|H<1>,3|N<3>}	108.8763	0.415	3	108.8763	0.173	3	108.8763	0.173	3	108.8763	0.173	3	109.0148	0.927	30	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[3x6]	N[3x6]	4:4:1:1:	4:3:3:4:	4:4:4:1:	C[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-3:N[6,6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[3x6]N[6,6]2C)(N[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]O)2(CH3)	N[3x6](C[6,6]C[3x6]HH)3(H)	C[6,6](C[3x6]N[6,6]2C)(N[3x6]C[6,6]2H)(H)2{2|C<4>,2|O<2>,4|H<1>}	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[3x6](C[6,6]C[3x6]HH)3(H){3|C<4>,3|N<3>}	109.1605	0.230	6	109.1605	0.053	6	109.1605	0.053	6	109.1605	0.053	6	109.0148	0.927	30	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[3x6]	N[3x6]	4:4:1:1:	4:3:3:4:	4:4:4:4:	C[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-3:N[6,6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6](C[3x6]N[6,6]2C)(N[3x6]C[6,6]2C)(H)2	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]O)2(CH3)	N[3x6](C[6,6]C[3x6]HH)3(CC[6a]HH)	C[6,6](C[3x6]N[6,6]2C)(N[3x6]C[6,6]2C)(H)2{1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]O)2(CH3){1|N<3>,5|C<4>}	N[3x6](C[6,6]C[3x6]HH)3(CC[6a]HH){3|C<4>,3|N<3>}	110.8395	0.033	2	110.6583	0.099	3	110.6583	0.099	3	110.6583	0.099	3	109.0148	0.927	30	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[3x6]	N[3x6]	4:4:1:1:	4:3:3:4:	4:4:4:4:	C[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[6,6]-3:N[6,6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6](C[3x6]N[6,6]2C)(N[3x6]C[6,6]2C)(H)2	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]O)2(CH3)	N[3x6](C[6,6]C[3x6]HH)3(CC[6a]HH)	C[6,6](C[3x6]N[6,6]2C)(N[3x6]C[6,6]2C)(H)2{2|C<4>,2|O<2>,4|H<1>}	C[3x6](C[6,6]N[3x6]HH)(N[6,6]C[3x6]O)2(CH3){1|N<3>,5|C<4>}	N[3x6](C[6,6]C[3x6]HH)3(CC[6a]HH){3|C<4>,3|N<3>}	110.2960	0.000	1	110.6583	0.099	3	110.6583	0.099	3	110.6583	0.099	3	109.0148	0.927	30	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[3x6]	N[3x6]	4:4:1:1:	4:4:4:4:	4:4:3:4:	C[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-3:C-4:	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2C)(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(CH3)	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]C)(CH3)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2C)(H)2{1|C<3>,2|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(CH3){1|C<3>,5|C<4>}	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]C)(CH3){6|C<4>}	110.1770	1.450	2	110.1770	2.101	2	110.1770	2.101	2	110.1770	2.101	2	109.0148	0.927	30	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[3x6]	N[3x6]	4:4:1:1:	4:4:4:4:	4:4:4:1:	C[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)(C[6,6]N[3x6]HH)2(CH3)	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(H)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2{1|C<4>,1|N<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)(C[6,6]N[3x6]HH)2(CH3){2|H<1>,4|C<4>}	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(H){1|H<1>,5|C<4>}	108.4740	0.685	12	108.4740	0.470	12	108.6309	0.496	15	108.6309	0.496	15	109.0148	0.927	30	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[3x6]	N[3x6]	4:4:1:1:	4:4:4:4:	4:4:4:1:	C[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(CH3)	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]OO)(H)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2{2|C<4>,2|O<2>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(CH3){1|H<1>,5|C<4>}	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]OO)(H){6|C<4>}	109.4785	0.110	2	109.4785	0.012	2	108.6309	0.496	15	108.6309	0.496	15	109.0148	0.927	30	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[3x6]	N[3x6]	4:4:1:1:	4:4:4:4:	4:4:4:1:	C[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2	C[3x6](C[6,6]N[3x6]HH)3(CH3)	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH)(H)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2{2|C<3>,2|N<3>,6|H<1>}	C[3x6](C[6,6]N[3x6]HH)3(CH3){1|H<1>,3|C<4>}	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH)(H){2|C<3>,2|N<2>,4|C<4>}	108.8190	0.000	1	108.8190	0.000	1	108.6309	0.496	15	108.6309	0.496	15	109.0148	0.927	30	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[3x6]	N[3x6]	4:4:2:2:	4:4:4:4:	4:4:4:1:	C[3x6]-4:N[3x6]-4:O-2:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(OH)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]OO)(CH3)	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]OO)(H)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(OH)2{2|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]OO)(CH3){1|H<1>,5|C<4>}	N[3x6](C[6,6]C[3x6]HH)2(C[6,6]C[3x6]OO)(H){6|C<4>}	107.0580	0.000	1	107.0580	0.000	1	107.0580	0.000	1	107.0580	0.000	1	109.0148	0.927	30	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[3x6]	N[6,6]	4:4:1:1:	3:4:4:1:	4:4:4:1:	C[3x6]-4:N[6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(N[6,6]C[3x6]CH)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6,6]N[6,6]HH)(H)	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(N[6,6]C[3x6]CH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6,6]N[6,6]HH)(H){2|C<4>,4|C<3>,4|H<1>}	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	108.5260	0.000	1	108.5260	0.000	1	108.5260	0.000	1	108.5260	0.000	1	108.7136	1.166	8	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[3x6]	N[6,6]	4:4:1:1:	4:4:3:1:	4:4:4:1:	C[3x6]-4:N[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(H)2	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(C[6,6]C[6,6]H)(H){1|H<1>,2|C<3>,3|C<4>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	108.2500	0.400	2	108.2500	0.160	2	108.2500	0.160	2	108.2500	0.160	2	108.7136	1.166	8	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[3x6]	N[6,6]	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[3x6]-4:N[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]HH)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]HH)(H)2{2|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){1|C<4>,6|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{2|C<4>,5|H<1>}	110.9490	0.000	1	110.9490	0.000	1	110.9490	0.000	1	110.9490	0.000	1	108.7136	1.166	8	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[3x6]	N[6,6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[3x6]-4:N[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(H)2{2|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(H){2|C<3>,2|H<1>,3|C<4>}	107.6550	0.000	1	107.6550	0.000	1	107.6550	0.000	1	108.6195	1.861	2	108.7136	1.166	8	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[3x6]	N[6,6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[3x6]-4:N[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6]-4:C-4:O-1:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CO)(H)2	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H)	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(O)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CO)(H)2{2|C<4>,5|H<1>}	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]N[6,6]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCHH)(O){2|C<3>,2|C<4>,3|H<1>}	109.5840	0.000	1	109.5840	0.000	1	109.5840	0.000	1	108.6195	1.861	2	108.7136	1.166	8	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[3x6]	N[6,6]	4:4:4:1:	4:4:3:1:	4:4:4:1:	C[3x6]-4:N[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(CC[6a]HH)(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H)	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(CH3)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(CC[6a]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<2>,2|C<4>,3|H<1>}	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(CH3)(H){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	108.5820	0.000	1	108.2475	0.224	2	108.2475	0.224	2	108.2475	0.224	2	108.7136	1.166	8	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[3x6]	N[6,6]	4:4:4:1:	4:4:3:1:	4:4:4:1:	C[3x6]-4:N[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(CC[6a]HH)(H)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H)	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(CH3)(H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(CC[6a]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]CH)(C[6,6]C[6,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	107.9130	0.000	1	108.2475	0.224	2	108.2475	0.224	2	108.2475	0.224	2	108.7136	1.166	8	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[3x6]	N[6]	4:4:4:1:	4:4:3:1:	4:4:4:1:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H)	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[3x6]C[5,3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,5|H<1>}	106.4095	0.748	8	106.4095	0.559	8	106.4095	0.559	8	106.4095	0.559	8	107.1874	2.810	20	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[3x6]	N[6]	4:4:4:1:	4:4:3:1:	4:4:4:3:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C-4:N-3:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CN)(H)	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H)	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(NHH)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CN)(H){2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(NHH){1|C<4>,2|C<3>,5|H<1>}	108.2430	0.000	1	108.2430	0.000	1	108.2430	0.000	1	108.2430	0.000	1	107.1874	2.810	20	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[3x6]	N[6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|C<3>,6|H<1>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,5|H<1>}	107.1290	0.000	1	107.4593	0.093	3	107.4593	0.093	3	107.4593	0.093	3	107.1874	2.810	20	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[3x6]	N[6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[3x6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<3>,3|C<4>,4|H<1>}	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,9|H<1>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,5|H<1>}	107.6245	0.151	2	107.4593	0.093	3	107.4593	0.093	3	107.4593	0.093	3	107.1874	2.810	20	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[3x6]	N[6]	4:4:4:1:	4:4:4:2:	4:4:4:1:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<3>,3|C<4>,4|H<1>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|O<2>,2|C<3>,3|C<4>,8|H<1>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	106.7020	0.000	1	106.7020	0.000	1	106.1074	0.119	5	106.5277	1.155	6	107.1874	2.810	20	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[3x6]	N[6]	4:4:4:1:	4:4:4:2:	4:4:4:1:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	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[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<3>,3|C<4>,4|H<1>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|O<2>,2|C<3>,3|C<4>,8|H<1>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	105.9230	0.117	2	105.9587	0.011	4	106.1074	0.119	5	106.5277	1.155	6	107.1874	2.810	20	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[3x6]	N[6]	4:4:4:1:	4:4:4:2:	4:4:4:1:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	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[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<3>,3|C<4>,4|H<1>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|O<2>,2|C<4>,3|C<3>,8|H<1>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	105.9945	0.124	2	105.9587	0.011	4	106.1074	0.119	5	106.5277	1.155	6	107.1874	2.810	20	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[3x6]	N[6]	4:4:4:1:	4:4:4:2:	4:4:4:1:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C-4:O-1:	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CO)(H)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(O)	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CO)(H){2|C<3>,3|C<4>,4|H<1>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|O<1>,1|O<2>,2|C<4>,3|C<3>,7|H<1>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	108.6290	0.000	1	108.6290	0.000	1	108.6290	0.000	1	106.5277	1.155	6	107.1874	2.810	20	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[3x6]	N[6]	4:4:4:1:	4:4:4:2:	4:4:4:4:	C[3x6]-4:C[6]-4:N[6]-4:H-1:	C[5,3x6]-4:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CC)(H)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH)	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(CH3)	C[6,6](C[3x6]C[5,3x6]C[6]O)(C[6]C[6,6a]HH)(N[6]C[6]CC)(H){2|C<3>,3|C<4>,4|H<1>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|O<2>,3|C<3>,3|C<4>,7|H<1>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	111.3430	0.429	2	111.3430	0.184	2	111.3430	0.184	2	111.3430	0.184	2	107.1874	2.810	20	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[4x6]	N[3x6]	4:4:1:1:	3:3:4:4:	4:4:4:4:	C[4x6]-4:N[3x6]-4:H-1:H-1:	N[4x6]-3:N[4x6]-3:C[6,6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6](C[4x6]N[4x6]2C)(N[3x6]C[6,6]2C)(H)2	C[4x6](N[4x6]C[4x6]O[6,6])2(C[6,6]N[3x6]HH)(CH3)	N[3x6](C[6,6]C[4x6]HH)3(CC[6a]HH)	C[6,6](C[4x6]N[4x6]2C)(N[3x6]C[6,6]2C)(H)2{2|C<4>,2|O<2>,4|H<1>}	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[3x6](C[6,6]C[4x6]HH)3(CC[6a]HH){3|C<4>,3|N<3>}	110.6120	0.312	6	110.6120	0.097	6	110.6120	0.097	6	110.6120	0.097	6	110.6120	0.097	6	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[5x6]	N[6]	4:4:4:1:	4:4:4:4:	4:4:4:1:	C[5x6]-4:C[6]-4:N[6]-4:H-1:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[5,6,6]HH)(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<3>,4|C<4>,6|H<1>}	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[5,6,6]HH)(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH){1|O<2>,2|C<3>,4|C<4>,9|H<1>}	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(H){1|C<3>,3|C<4>,4|H<1>}	108.6220	0.000	1	108.6220	0.000	1	109.8295	0.865	4	109.8295	0.865	4	109.8295	0.865	4	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[5x6]	N[6]	4:4:4:1:	4:4:4:4:	4:4:4:1:	C[5x6]-4:C[6]-4:N[6]-4:H-1:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)2	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<3>,4|C<4>,6|H<1>}	C[5x6](C[5,4x6]C[5,6,6a]C[5,6,6]C[6])(C[6,6]C[6]N[6]H)(C[6,6]C[6,6]HH)2{2|C<3>,2|O<2>,4|C<4>,8|H<1>}	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	110.2320	0.570	3	110.2320	0.325	3	109.8295	0.865	4	109.8295	0.865	4	109.8295	0.865	4	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	3:4:1:1:	4:4:4:1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	N[3x6]-3:C[6,6]-4:H-1:H-1:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](N[3x6]C[5,4x6]C[6,6]H)(C[6,6]N[3x6]HH)(H)2	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](N[3x6]C[5,4x6]C[6,6]H)(C[6,6]N[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	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(H){1|N<3>,4|H<1>,6|C<3>}	107.3450	0.385	4	107.3450	0.148	4	107.3450	0.148	4	107.3450	0.148	4	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:3:1:1:	4:4:3:1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	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)2(C[6,6]C[6,6]H)(H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,3|H<1>}	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)2(C[6,6]C[6,6]H)(H){1|N<3>,6|H<1>}	108.2020	0.033	2	108.2020	0.001	2	108.2020	0.001	2	108.2020	0.001	2	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:3:1:1:	4:4:4:1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	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]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,4|H<1>}	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(H){1|N<3>,6|H<1>}	107.9229	0.905	211	107.9229	0.819	211	107.9229	0.819	211	107.9229	0.819	211	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:3:1:1:	4:4:4:4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	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(CCHH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,4|H<1>}	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(CCHH){1|N<3>,6|H<1>}	108.9748	0.907	83	108.9748	0.822	83	108.7650	0.711	154	108.7537	0.704	157	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:3:1:1:	4:4:4:4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	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(CC[6a]HH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,4|H<1>}	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(CC[6a]HH){1|N<3>,6|H<1>}	108.6352	0.707	30	108.6352	0.500	30	108.7650	0.711	154	108.7537	0.704	157	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:3:1:1:	4:4:4:4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	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(CClHH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,4|H<1>}	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(CClHH){1|N<3>,6|H<1>}	108.1014	0.615	17	108.1014	0.378	17	108.7650	0.711	154	108.7537	0.704	157	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:3:1:1:	4:4:4:4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	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(CFHH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,4|H<1>}	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(CFHH){1|N<3>,6|H<1>}	108.5730	0.478	3	108.5730	0.229	3	108.7650	0.711	154	108.7537	0.704	157	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:3:1:1:	4:4:4:4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	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(CH3)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,4|H<1>}	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(CH3){1|N<3>,6|H<1>}	108.6862	0.650	21	108.6862	0.422	21	108.7650	0.711	154	108.7537	0.704	157	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:3:1:1:	4:4:4:4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2O)(H)2	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(OLi3)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2O)(H)2{2|C<4>,4|H<1>}	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(OLi3){1|N<3>,6|H<1>}	108.1720	0.093	3	108.1720	0.009	3	108.1720	0.009	3	108.7537	0.704	157	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:3:1:1:	4:4:4:5:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[3x6]-3:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:Ga-5:	C[6,6](N[3x6]C[6,6]2Ga)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[6,6]N[3x6]HH)(C[3x6]C[6,6]2)(H)2	N[3x6](C[6,6]C[6,6]HH)3(GaH3W)	C[6,6](N[3x6]C[6,6]2Ga)(C[6,6]C[3x6]HH)(H)2{2|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(C[3x6]C[6,6]2)(H)2{1|Ga<5>,2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(GaH3W){1|C<3>,6|H<1>}	111.2833	0.331	3	111.2833	0.109	3	111.2833	0.109	3	111.2833	0.109	3	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:3:3:4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:C-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)2(CH3)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|H<1>,3|C<4>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)2(CH3){1|N<4>,6|H<1>}	109.1420	0.000	1	109.1420	0.000	1	109.1420	0.000	1	109.1420	0.000	1	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:2:4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	Ga[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[6,6](N[3x6]Ga[6,6]O[6,6]C)(C[6,6]N[3x6]HH)(H)2	C[6,6](N[3x6]Ga[6,6]O[6,6]C)(C[6,6]N[3x6]HH)(H)2	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CC3)	C[6,6](N[3x6]Ga[6,6]O[6,6]C)(C[6,6]N[3x6]HH)(H)2{1|Ga<4>,1|O<2>,3|C<4>}	C[6,6](N[3x6]Ga[6,6]O[6,6]C)(C[6,6]N[3x6]HH)(H)2{1|Ga<4>,1|O<2>,3|C<4>}	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CC3){1|N<4>,2|C<4>,2|H<1>}	114.3680	0.528	3	114.3680	0.279	3	114.0235	0.357	6	114.0235	0.357	6	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:2:4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	Ga[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	C[6,6](N[3x6]Ga[6,6]O[6,6]C)(C[6,6]N[3x6]HH)(H)2	C[6,6](N[3x6]Ga[6,6]O[6,6]C)(C[6,6]N[3x6]HH)(H)2	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CH3)	C[6,6](N[3x6]Ga[6,6]O[6,6]C)(C[6,6]N[3x6]HH)(H)2{1|Ga<4>,1|O<2>,3|C<4>}	C[6,6](N[3x6]Ga[6,6]O[6,6]C)(C[6,6]N[3x6]HH)(H)2{1|Ga<4>,1|O<2>,3|C<4>}	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CH3){1|N<4>,2|C<4>,2|H<1>}	113.6790	0.508	3	113.6790	0.258	3	114.0235	0.357	6	114.0235	0.357	6	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:3:1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]H)(H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]H)(H){1|N<4>,6|H<1>}	108.6580	0.134	2	108.6580	0.018	2	108.6580	0.018	2	108.6580	0.018	2	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:F-1:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2F)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	N[3x6](C[6,6]C[6,6]HH)3(F)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2F)(H)2{2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|F<1>,2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(F){1|C<4>,6|H<1>}	106.9450	0.279	2	106.9450	0.078	2	106.9450	0.078	2	108.5921	0.956	1175	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[3x6]C[6,6]2F)(C[6,6]N[3x6]HH)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,1|F<1>,4|H<1>}	C[6,6](C[3x6]C[6,6]2F)(C[6,6]N[3x6]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,1|O<1>,4|H<1>}	109.0080	0.605	2	109.4965	0.980	11	109.2185	1.053	199	108.5921	0.956	1175	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[3x6]C[6,6]2F)(C[6,6]N[3x6]HH)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|F<1>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2F)(C[6,6]N[3x6]HH)(H)2{2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,6|H<1>}	109.6051	1.052	9	109.4965	0.980	11	109.2185	1.053	199	108.5921	0.956	1175	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(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]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(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(H){1|C<3>,1|C<4>,5|H<1>}	108.6877	0.583	42	108.6877	0.340	42	109.2185	1.053	199	108.5921	0.956	1175	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	N[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	108.8395	0.437	4	108.8395	0.191	4	109.2185	1.053	199	108.5921	0.956	1175	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|N<2>,2|C<4>,3|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,1|N<2>,4|H<1>}	109.8875	0.314	4	109.3646	1.190	142	109.2185	1.053	199	108.5921	0.956	1175	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,1|N<3>,5|H<1>}	108.9250	0.567	2	109.3646	1.190	142	109.2185	1.053	199	108.5921	0.956	1175	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|N<4>,2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,1|N<4>,5|H<1>}	108.6656	0.713	12	109.3646	1.190	142	109.2185	1.053	199	108.5921	0.956	1175	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,1|O<2>,5|H<1>}	109.5250	1.242	90	109.3646	1.190	142	109.2185	1.053	199	108.5921	0.956	1175	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,6|H<1>}	109.1885	0.628	32	109.3646	1.190	142	109.2185	1.053	199	108.5921	0.956	1175	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{3|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(H){2|C<4>,5|H<1>}	108.5535	0.083	2	109.3646	1.190	142	109.2185	1.053	199	108.5921	0.956	1175	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:D-1:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2D)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2D)(H)2	N[3x6](C[6,6]C[6,6]HH)3(D)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2D)(H)2{1|D<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2D)(H)2{1|D<1>,2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(D){1|N<4>,6|H<1>}	108.4832	0.887	12	108.4832	0.787	12	108.4832	0.787	12	108.5921	0.956	1175	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,6|H<1>}	108.6993	0.800	51	108.6992	0.616	53	108.4741	0.844	939	108.5921	0.956	1175	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,1|N<4>,5|H<1>}	108.6970	0.157	2	108.6992	0.616	53	108.4741	0.844	939	108.5921	0.956	1175	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(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]HH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(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(H){1|C<4>,1|N<4>,5|H<1>}	107.9715	0.858	2	107.9715	0.736	2	108.4741	0.844	939	108.5921	0.956	1175	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,5|H<1>}	108.9395	0.114	2	108.4636	0.857	881	108.4741	0.844	939	108.5921	0.956	1175	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,6|H<1>}	108.4626	0.926	879	108.4636	0.857	881	108.4741	0.844	939	108.5921	0.956	1175	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2O)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2O)(H)2{2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,6|H<1>}	107.9117	0.308	3	107.9117	0.095	3	108.4741	0.844	939	108.5921	0.956	1175	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:D-1:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2D)(H)2	C[6,6](N[3x6]C[6,6]2Cu)(C[6,6]N[3x6]HH)(H)2	N[3x6](C[6,6]C[6,6]HH)3(D)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2D)(H)2{1|Cu<5>,2|C<4>,4|H<1>}	C[6,6](N[3x6]C[6,6]2Cu)(C[6,6]N[3x6]HH)(H)2{1|D<1>,2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(D){1|N<4>,6|H<1>}	107.7517	0.277	3	107.7517	0.077	3	107.7517	0.077	3	108.5921	0.956	1175	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](N[3x6]C[6,6]2Cd)(C[6,6]N[3x6]HH)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|Cd<5>,2|C<4>,4|H<1>}	C[6,6](N[3x6]C[6,6]2Cd)(C[6,6]N[3x6]HH)(H)2{2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,6|H<1>}	107.8267	1.007	3	107.8267	1.014	3	108.2568	0.690	20	108.5921	0.956	1175	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](N[3x6]C[6,6]2Co)(C[6,6]N[3x6]HH)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|Co<4>,2|C<4>,4|H<1>}	C[6,6](N[3x6]C[6,6]2Co)(C[6,6]N[3x6]HH)(H)2{2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,6|H<1>}	107.7347	0.323	3	107.7347	0.105	3	108.2568	0.690	20	108.5921	0.956	1175	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](N[3x6]C[6,6]2Cu)(C[6,6]N[3x6]HH)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|Cu<5>,2|C<4>,4|H<1>}	C[6,6](N[3x6]C[6,6]2Cu)(C[6,6]N[3x6]HH)(H)2{2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,6|H<1>}	108.6380	1.081	5	108.6380	1.168	5	108.2568	0.690	20	108.5921	0.956	1175	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](N[3x6]C[6,6]2Pt)(C[6,6]N[3x6]HH)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|Pt<4>,2|C<4>,4|H<1>}	C[6,6](N[3x6]C[6,6]2Pt)(C[6,6]N[3x6]HH)(H)2{2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,6|H<1>}	109.0370	0.169	3	109.0370	0.028	3	108.2568	0.690	20	108.5921	0.956	1175	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	C[6,6](N[3x6]C[6,6]2Zn)(C[6,6]N[3x6]HH)(H)2	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|Zn<4>,2|C<4>,4|H<1>}	C[6,6](N[3x6]C[6,6]2Zn)(C[6,6]N[3x6]HH)(H)2{2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(H){1|N<4>,6|H<1>}	108.0250	0.614	6	108.0250	0.377	6	108.2568	0.690	20	108.5921	0.956	1175	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:2:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2O)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(OH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2O)(H)2{2|C<4>,5|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|O<2>,2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(OH){1|N<4>,6|H<1>}	107.8703	0.250	3	107.8703	0.063	3	108.5226	0.364	9	108.5226	0.364	9	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:2:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:O-2:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2O)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2O)(H)2	N[3x6](C[6,6]C[6,6]HH)3(OH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2O)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2O)(H)2{1|O<2>,2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(OH){1|N<4>,6|H<1>}	108.8487	0.417	6	108.8487	0.174	6	108.5226	0.364	9	108.5226	0.364	9	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:B-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(BH3)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(H)2{3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|B<4>,1|C<3>,2|C<4>,3|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(BH3){1|C<3>,1|C<4>,5|H<1>}	111.0745	0.035	2	111.1180	0.023	4	111.1064	0.018	5	109.6942	1.114	330	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:B-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(BH3)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(H)2{3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|B<4>,3|C<4>,3|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(BH3){2|C<4>,5|H<1>}	111.1615	0.248	2	111.1180	0.023	4	111.1064	0.018	5	109.6942	1.114	330	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:B-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	N[3x6](C[6,6]C[6,6]HH)3(BH3)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(H)2{2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|B<4>,2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(BH3){1|C<4>,6|H<1>}	111.0600	0.000	1	111.0600	0.000	1	111.1064	0.018	5	109.6942	1.114	330	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CCHH)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CCHH){1|C<3>,1|C<4>,5|H<1>}	109.8530	0.383	4	109.8530	0.147	4	109.3348	0.525	18	109.6942	1.114	330	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CC[6a]HH)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CC[6a]HH){1|C<3>,1|C<4>,5|H<1>}	109.4760	0.532	3	109.4760	0.283	3	109.3348	0.525	18	109.6942	1.114	330	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CH3)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CH3){1|C<3>,1|C<4>,5|H<1>}	109.2110	0.776	3	109.2110	0.602	3	109.3348	0.525	18	109.6942	1.114	330	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CFHH)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(CFHH){1|C<4>,1|O<2>,5|H<1>}	108.6273	0.912	4	108.6273	0.832	4	109.3348	0.525	18	109.6942	1.114	330	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CH3)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(CH3){1|C<4>,1|O<2>,5|H<1>}	109.5110	0.549	4	109.5110	0.302	4	109.3348	0.525	18	109.6942	1.114	330	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CCHH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(CCHH){1|N<4>,6|H<1>}	109.9656	0.643	42	109.9656	0.414	42	109.8447	0.768	220	109.6942	1.114	330	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CC[6a]HH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(CC[6a]HH){1|N<4>,6|H<1>}	109.0982	0.585	9	109.0982	0.343	9	109.8447	0.768	220	109.6942	1.114	330	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CH3)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|H<1>,3|C<4>}	N[3x6](C[6,6]C[6,6]HH)3(CH3){1|N<4>,4|H<1>}	109.2900	0.000	1	109.8492	1.040	104	109.8447	0.768	220	109.6942	1.114	330	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CH3)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(CH3){1|N<4>,6|H<1>}	109.8547	1.023	103	109.8492	1.040	104	109.8447	0.768	220	109.6942	1.114	330	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CN[6]HH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(CN[6]HH){1|N<4>,6|H<1>}	110.1403	0.745	12	110.1403	0.555	12	109.8447	0.768	220	109.6942	1.114	330	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CH3)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(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(CH3){1|N<4>,6|H<1>}	109.7300	0.150	2	109.7300	0.022	2	109.8447	0.768	220	109.6942	1.114	330	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CBrHH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,5|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(CBrHH){1|N<4>,6|H<1>}	109.6433	0.078	3	109.6433	0.006	3	109.8447	0.768	220	109.6942	1.114	330	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CCHH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,5|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(CCHH){1|N<4>,6|H<1>}	109.7681	0.382	24	109.7681	0.146	24	109.8447	0.768	220	109.6942	1.114	330	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CClHH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,5|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(CClHH){1|N<4>,6|H<1>}	109.5338	0.470	20	109.5338	0.221	20	109.8447	0.768	220	109.6942	1.114	330	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CH3)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,5|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(CH3){1|N<4>,6|H<1>}	111.4742	1.642	4	111.4742	2.696	4	109.8447	0.768	220	109.6942	1.114	330	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](N[3x6]C[6,6]2Ag)(C[6,6]N[3x6]HH)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CCHH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Ag<6>,2|C<4>,4|H<1>}	C[6,6](N[3x6]C[6,6]2Ag)(C[6,6]N[3x6]HH)(H)2{3|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(CCHH){1|N<4>,6|H<1>}	109.2670	0.384	3	109.2670	0.147	3	108.8795	0.555	67	109.6942	1.114	330	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](N[3x6]C[6,6]2Co)(C[6,6]N[3x6]HH)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CCHH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Co<4>,2|C<4>,4|H<1>}	C[6,6](N[3x6]C[6,6]2Co)(C[6,6]N[3x6]HH)(H)2{3|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(CCHH){1|N<4>,6|H<1>}	108.8313	0.579	6	108.8313	0.335	6	108.8795	0.555	67	109.6942	1.114	330	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](N[3x6]C[6,6]2Cu)(C[6,6]N[3x6]HH)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CCHH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Cu<5>,2|C<4>,4|H<1>}	C[6,6](N[3x6]C[6,6]2Cu)(C[6,6]N[3x6]HH)(H)2{3|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(CCHH){1|N<4>,6|H<1>}	109.3850	0.438	3	109.3850	0.192	3	108.8795	0.555	67	109.6942	1.114	330	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](N[3x6]C[6,6]2Fe)(C[6,6]N[3x6]HH)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CH3)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Fe<5>,2|C<4>,4|H<1>}	C[6,6](N[3x6]C[6,6]2Fe)(C[6,6]N[3x6]HH)(H)2{3|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(CH3){1|N<4>,6|H<1>}	108.2996	0.576	5	108.2996	0.332	5	108.8795	0.555	67	109.6942	1.114	330	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](N[3x6]C[6,6]2Mn)(C[6,6]N[3x6]HH)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CH3)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Mn<5>,2|C<4>,4|H<1>}	C[6,6](N[3x6]C[6,6]2Mn)(C[6,6]N[3x6]HH)(H)2{3|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(CH3){1|N<4>,6|H<1>}	108.2443	0.406	6	108.2443	0.165	6	108.8795	0.555	67	109.6942	1.114	330	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](N[3x6]C[6,6]2Ni)(C[6,6]N[3x6]HH)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CH3)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Ni<5>,2|C<4>,4|H<1>}	C[6,6](N[3x6]C[6,6]2Ni)(C[6,6]N[3x6]HH)(H)2{3|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(CH3){1|N<4>,6|H<1>}	108.9471	0.848	35	108.9471	0.719	35	108.8795	0.555	67	109.6942	1.114	330	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](N[3x6]C[6,6]2Zn)(C[6,6]N[3x6]HH)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CCHH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Zn<4>,2|C<4>,4|H<1>}	C[6,6](N[3x6]C[6,6]2Zn)(C[6,6]N[3x6]HH)(H)2{3|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(CCHH){1|N<4>,6|H<1>}	109.2687	0.402	6	109.2687	0.162	6	108.8795	0.555	67	109.6942	1.114	330	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	C[6,6](N[3x6]C[6,6]2Zn)(C[6,6]N[3x6]HH)(H)2	N[3x6](C[6,6]C[6,6]HH)3(CFHH)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Zn<4>,2|C<4>,4|H<1>}	C[6,6](N[3x6]C[6,6]2Zn)(C[6,6]N[3x6]HH)(H)2{3|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(CFHH){1|N<4>,6|H<1>}	108.7517	0.446	3	108.7517	0.199	3	108.8795	0.555	67	109.6942	1.114	330	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:B[3x6]-4:	C[6,6](N[3x6]B[3x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	N[3x6](C[6,6]C[6,6]HH)3(B[3x6]C[6,6]3)	C[6,6](N[3x6]B[3x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2{5|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|B<4>,2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(B[3x6]C[6,6]3){12|H<1>,4|C<4>}	111.0897	0.061	3	111.0897	0.004	3	111.0897	0.004	3	109.6942	1.114	330	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:Ga-4:	C[6,6](N[3x6]C[6,6]2Ga)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	N[3x6](C[6,6]C[6,6]HH)3(GaCl2H)	C[6,6](N[3x6]C[6,6]2Ga)(C[6,6]C[3x6]HH)(H)2{2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|Ga<4>,2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(GaCl2H){1|C<4>,6|H<1>}	111.1705	0.032	2	111.1705	0.001	2	111.1926	0.038	8	109.6942	1.114	330	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:Ga-4:	C[6,6](N[3x6]C[6,6]2Ga)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	N[3x6](C[6,6]C[6,6]HH)3(GaHNN)	C[6,6](N[3x6]C[6,6]2Ga)(C[6,6]C[3x6]HH)(H)2{2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|Ga<4>,2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(GaHNN){1|C<4>,6|H<1>}	111.2000	0.229	6	111.2000	0.053	6	111.1926	0.038	8	109.6942	1.114	330	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:In-4:	C[6,6](N[3x6]C[6,6]2In)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	N[3x6](C[6,6]C[6,6]HH)3(InCl2In)	C[6,6](N[3x6]C[6,6]2In)(C[6,6]C[3x6]HH)(H)2{2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|In<4>,2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(InCl2In){1|C<4>,6|H<1>}	110.2172	2.841	9	110.2172	8.072	9	110.2172	8.072	9	109.6942	1.114	330	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:1:1:	5:4:4:4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	B[4x3,4x5,4x6]-5:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6,6](N[3x6]B[4x3,4x5,4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2C)(C[6,6]N[3x6]HH)(H)2	N[3x6](B[4x3,4x5,4x6]B[5x3,4,9x5,6,6]4)(C[6,6]C[6,6]HH)3	C[6,6](N[3x6]B[4x3,4x5,4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2{3|C<4>,4|B<6>,4|H<1>}	C[6,6](C[3x6]C[6,6]2C)(C[6,6]N[3x6]HH)(H)2{1|B<5>,2|C<4>,4|H<1>}	N[3x6](B[4x3,4x5,4x6]B[5x3,4,9x5,6,6]4)(C[6,6]C[6,6]HH)3{10|H<1>,1|C<4>,4|B<6>}	111.5613	0.471	3	111.5613	0.222	3	111.5613	0.222	3	111.5613	0.222	3	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:2:1:	4:4:4:1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(OH)(H)	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(OH)(H){2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,1|O<2>,5|H<1>}	110.1392	0.605	45	110.1392	0.367	45	110.1392	0.367	45	110.1392	0.367	45	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:2:1:	4:4:4:4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(OH)(H)	N[3x6](C[6,6]C[6,6]HH)3(CFHH)	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2C)(H)2{2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(OH)(H){3|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(CFHH){1|C<4>,1|O<2>,5|H<1>}	109.4345	0.416	2	109.4345	0.173	2	110.0418	0.553	4	110.0418	0.553	4	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:2:1:	4:4:4:4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:O-2:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(OH)(H)	N[3x6](C[6,6]C[6,6]HH)3(CH3)	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2C)(H)2{2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(OH)(H){3|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(CH3){1|C<4>,1|O<2>,5|H<1>}	110.6490	0.105	2	110.6490	0.011	2	110.0418	0.553	4	110.0418	0.553	4	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:3:1:	4:4:4:1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(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]C[3x6]CH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H){2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,5|H<1>}	109.6672	0.630	41	109.6672	0.397	41	109.6528	0.396	42	109.6670	0.395	43	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:3:1:	4:4:4:1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(COO)(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]C[3x6]CH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(COO)(H){2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<3>,1|C<4>,5|H<1>}	109.0610	0.000	1	109.0610	0.000	1	109.6528	0.396	42	109.6670	0.395	43	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:3:1:	4:4:4:1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6]C[3x6]N[6]H)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(N[6]C[6]2)(H)	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]C[3x6]N[6]H)(N[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,5|H<1>}	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[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,1|N<3>,5|H<1>}	110.2640	0.000	1	110.2640	0.000	1	110.2640	0.000	1	109.6670	0.395	43	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:3:1:	4:4:4:4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:B-4:	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2B)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(BH3)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2B)(H)2{3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H){1|B<4>,2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(BH3){1|C<3>,1|C<4>,5|H<1>}	111.9670	0.467	2	111.9670	0.218	2	111.9670	0.218	2	110.9572	0.894	12	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:3:1:	4:4:4:4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CCHH)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H){3|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CCHH){1|C<3>,1|C<4>,5|H<1>}	110.8390	0.606	4	110.8390	0.367	4	110.7552	0.796	10	110.9572	0.894	12	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:3:1:	4:4:4:4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CC[6a]HH)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H){3|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CC[6a]HH){1|C<3>,1|C<4>,5|H<1>}	110.0007	0.851	3	110.0007	0.725	3	110.7552	0.796	10	110.9572	0.894	12	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:3:1:	4:4:4:4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2C)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CH3)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H){3|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CH3){1|C<3>,1|C<4>,5|H<1>}	111.3980	0.906	3	111.3980	0.821	3	110.7552	0.796	10	110.9572	0.894	12	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CH3)(H)	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CH3)(H){2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(H){2|C<4>,5|H<1>}	108.7430	0.000	1	108.7430	0.000	1	108.7430	0.000	1	108.8084	0.315	10	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:N-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6]C[3x6]HN)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(NH3)(H)	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]C[3x6]HN)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(NH3)(H){2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,1|N<4>,5|H<1>}	109.1373	0.382	6	109.1373	0.146	6	109.1373	0.146	6	108.8084	0.315	10	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6]N[3x6]CH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(CH3)(H)	N[3x6](C[6,6]C[6,6]HH)3(H)	C[6,6](C[6,6]N[3x6]CH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(CH3)(H){2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)3(H){1|C<4>,1|N<4>,5|H<1>}	108.3450	0.000	1	108.3450	0.000	1	108.1723	0.119	3	108.8084	0.315	10	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6]N[3x6]CH)(N[3x6]C[6,6]2H)(H)2	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]HH)(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]CH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]HH)(H){2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(H){1|C<4>,1|N<4>,5|H<1>}	108.0860	0.440	2	108.0860	0.193	2	108.1723	0.119	3	108.8084	0.315	10	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:1:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:B-4:	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2B)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCHH)(H)	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(BH3)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2B)(H)2{3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCHH)(H){1|B<4>,2|C<4>,4|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(BH3){2|C<4>,5|H<1>}	112.5050	0.645	2	112.5050	0.416	2	112.5050	0.416	2	112.5050	0.416	2	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:3:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:N[3x6]-4:C[6]-3:H-1:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(C[6]C[6]2)(H)	C[6,6](C[6,6]N[3x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(C[6]C[6]2)(H){1|C<3>,1|N<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]N[3x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	107.5165	0.513	2	107.5165	0.263	2	107.5165	0.263	2	107.5165	0.263	2	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6]HO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(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]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6]HO)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(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(H){1|C<3>,1|C<4>,5|H<1>}	107.3464	0.576	11	107.3464	0.331	11	107.6756	0.243	42	107.6414	0.261	44	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]2H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(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]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]2H)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(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(H){1|C<3>,1|C<4>,5|H<1>}	107.3650	0.000	1	107.3650	0.000	1	107.6756	0.243	42	107.6414	0.261	44	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]HO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(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]C[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(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(H){1|C<3>,1|C<4>,5|H<1>}	107.8067	0.409	30	107.8067	0.168	30	107.6756	0.243	42	107.6414	0.261	44	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(CC[6a]HH)(H)	C[6,6](C[6,6]N[3x6]CH)(N[3x6]C[6,6]2H)(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]HH)(N[3x6]C[6,6]2H)(CC[6a]HH)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]N[3x6]CH)(N[3x6]C[6,6]2H)(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(H){1|C<4>,1|N<4>,5|H<1>}	106.9220	0.392	2	106.9220	0.153	2	106.9220	0.153	2	107.6414	0.261	44	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:B-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(CC[6a]HO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(BH3)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|B<4>,1|C<3>,2|C<4>,3|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(BH3){1|C<3>,1|C<4>,5|H<1>}	109.4035	0.301	2	109.7267	0.306	4	109.7267	0.306	4	108.1390	1.252	15	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:B-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(CC[6a]HO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(BH3)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|B<4>,3|C<4>,3|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(BH3){2|C<4>,5|H<1>}	110.0500	0.641	2	109.7267	0.306	4	109.7267	0.306	4	108.1390	1.252	15	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6]HO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CC[6a]HH)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6]HO)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CC[6a]HH){1|C<3>,1|C<4>,5|H<1>}	107.4470	0.000	1	107.4470	0.000	1	107.4484	0.160	10	108.1390	1.252	15	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6]HO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CH3)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6]HO)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CH3){1|C<3>,1|C<4>,5|H<1>}	107.1193	0.665	3	107.1193	0.442	3	107.4484	0.160	10	108.1390	1.252	15	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6a]HO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CCHH)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CCHH){1|C<3>,1|C<4>,5|H<1>}	107.6262	0.148	4	107.6262	0.022	4	107.4484	0.160	10	108.1390	1.252	15	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6a]HO)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CC[6a]HH)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(CC[6a]HO)(H){2|C<4>,5|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CC[6a]HH){1|C<3>,1|C<4>,5|H<1>}	107.5870	0.055	2	107.5870	0.003	2	107.4484	0.160	10	108.1390	1.252	15	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[3x6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6,6]-4:N[3x6]-4:C-4:H-1:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(CH3)(H)	C[6,6](C[6,6]N[3x6]CH)(N[3x6]C[6,6]2H)(H)2	N[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(CH3)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(CH3)(H){2|C<4>,5|H<1>}	C[6,6](C[6,6]N[3x6]CH)(N[3x6]C[6,6]2H)(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(CH3){1|N<4>,6|H<1>}	108.6940	0.000	1	108.6940	0.000	1	108.6940	0.000	1	108.1390	1.252	15	108.7849	1.355	2080	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[4x6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	N[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6](N[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]HH)(H)2	N[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH)	C[6,6](N[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2{4|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]HH)(H)2{3|H<1>,4|C<4>}	N[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	108.7280	0.000	1	108.7280	0.000	1	108.7280	0.000	1	108.7280	0.000	1	109.6805	1.815	2	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[4x6]	4:4:1:1:	4:4:4:1:	4:4:4:4:	N[4x6]-4:C[6,6]-4:H-1:H-1:	C[3x6]-4:C[6,6]-4:C-4:H-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6,6](N[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CH)(H)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]HH)(CCHH)(H)	N[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH)	C[6,6](N[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CH)(H)2{4|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]HH)(CCHH)(H){3|C<4>,4|H<1>}	N[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	110.6330	0.000	1	110.6330	0.000	1	110.6330	0.000	1	110.6330	0.000	1	109.6805	1.815	2	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[6,6]	4:4:1:1:	4:2:2:3:	4:4:4:4:	C[6,6]-4:N[6,6]-4:H-1:H-1:	C[6,6]-4:O[6]-2:O[6]-2:N-3:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6](C[6,6]O[6]2N)(N[6,6]C[6]2C)(H)2	C[6,6](C[6,6]N[6,6]HH)(O[6]C[6])2(NHH)	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(CCHH)	C[6,6](C[6,6]O[6]2N)(N[6,6]C[6]2C)(H)2{2|C<4>,4|H<1>}	C[6,6](C[6,6]N[6,6]HH)(O[6]C[6])2(NHH){3|C<4>,4|H<1>}	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(CCHH){1|N<3>,2|O<2>,4|H<1>}	108.5760	0.000	1	108.5760	0.000	1	108.3587	0.036	3	108.3587	0.036	3	110.2748	2.348	20	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[6,6]	4:4:1:1:	4:2:2:3:	4:4:4:4:	C[6,6]-4:N[6,6]-4:H-1:H-1:	C[6,6]-4:O[6]-2:O[6]-2:N-3:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6](C[6,6]O[6]2N)(N[6,6]C[6]2C)(H)2	C[6,6](C[6,6]N[6,6]HH)(O[6]C[6])2(NHH)	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(CH3)	C[6,6](C[6,6]O[6]2N)(N[6,6]C[6]2C)(H)2{2|C<4>,4|H<1>}	C[6,6](C[6,6]N[6,6]HH)(O[6]C[6])2(NHH){3|C<4>,4|H<1>}	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(CH3){1|N<3>,2|O<2>,4|H<1>}	108.2500	0.017	2	108.2500	0.000	2	108.3587	0.036	3	108.3587	0.036	3	110.2748	2.348	20	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[6,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:N[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[4,6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6](C[6,6]C[4,6,6]HH)(N[6,6]C[4,6,6]CH)(H)2	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]N[6,6]HH)(H)2	N[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CH3)(H)	C[6,6](C[6,6]C[4,6,6]HH)(N[6,6]C[4,6,6]CH)(H)2{2|C<4>,2|H<1>}	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]N[6,6]HH)(H)2{3|H<1>,4|C<4>}	N[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CH3)(H){3|C<4>,4|H<1>}	114.0270	0.000	1	114.0270	0.000	1	114.0270	0.000	1	114.0270	0.000	1	110.2748	2.348	20	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[6,6]	4:4:4:1:	4:4:3:1:	4:4:4:1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6,6]H)(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]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,9|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]C[6,6]H)(H){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]HH)(H){1|C<3>,3|C<4>,6|H<1>}	109.7150	0.000	1	109.7150	0.000	1	109.7150	0.000	1	109.7150	0.000	1	110.2748	2.348	20	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[6,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]CH)(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]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){1|N<4>,3|C<4>,9|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]CH)(H){5|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)(H){4|C<4>,6|H<1>}	113.2590	0.000	1	113.2590	0.000	1	110.4811	1.417	14	110.4811	1.417	14	110.2748	2.348	20	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[6,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){1|N<3>,3|C<4>,9|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|C<3>,4|C<4>,4|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	110.6800	0.000	1	110.8190	0.039	2	110.4811	1.417	14	110.4811	1.417	14	110.2748	2.348	20	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[6,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){1|N<4>,3|C<4>,9|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){5|C<4>,5|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	110.9580	0.000	1	110.8190	0.039	2	110.4811	1.417	14	110.4811	1.417	14	110.2748	2.348	20	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[6,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]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]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){10|H<1>,1|N<3>,2|C<4>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){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]HH)(H){4|C<4>,6|H<1>}	110.0485	0.929	6	110.2400	0.875	8	110.4811	1.417	14	110.4811	1.417	14	110.2748	2.348	20	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[6,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]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]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){10|H<1>,1|N<4>,2|C<4>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){5|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)(H){4|C<4>,6|H<1>}	110.8145	0.961	2	110.2400	0.875	8	110.4811	1.417	14	110.4811	1.417	14	110.2748	2.348	20	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[6,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6a]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]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){10|H<1>,1|N<3>,2|C<4>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6a]HH)(H){2|C<3>,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]HH)(H){1|C<3>,3|C<4>,6|H<1>}	109.9730	1.240	3	109.9730	1.537	3	110.4811	1.417	14	110.4811	1.417	14	110.2748	2.348	20	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[6,6]	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[3x6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(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)(CH3)	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2C)(C[6]C[6]HH)(H){1|N<3>,3|C<4>,9|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H){5|H<1>,7|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)(CH3){4|C<4>,6|H<1>}	109.9420	0.000	1	109.9420	0.000	1	109.9420	0.000	1	109.9420	0.000	1	110.2748	2.348	20	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[6]	3:4:4:1:	4:4:3:1:	4:4:1:1:	C[6,6a]-3:C[6,6]-4:N[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(N[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]C[6]O[6]N)(C[6a]C[6a]2)(H)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(N[6]C[6]HH)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]C[6]O[6]N)(C[6a]C[6a]2)(H){1|C<4>,5|C<3>,5|H<1>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,2|H<1>,6|C<3>}	107.3640	0.000	1	107.3640	0.000	1	107.3640	0.000	1	107.3640	0.000	1	109.6754	3.151	14	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[6]	4:4:4:1:	3:4:4:1:	4:4:4:1:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HH)(N[6]C[6]CH)(H)	C[6,6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(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[6,6a]C[6]H)(C[6]C[5,6]HH)(N[6]C[6]CH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,5|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){2|C<3>,2|C<4>,4|H<1>}	108.1870	0.000	1	108.1870	0.000	1	108.1870	0.000	1	108.1870	0.000	1	109.6754	3.151	14	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[6]	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]HH)(H)	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)2	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]HH)(H){1|C<3>,2|C<4>,6|H<1>}	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)2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	107.8080	0.000	1	107.8080	0.000	1	107.8080	0.000	1	107.8080	0.000	1	109.6754	3.151	14	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(N[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(N[6]C[6]HH)(H){2|C<4>,8|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H){3|C<4>,7|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	109.1790	0.635	2	109.1790	0.403	2	109.2903	0.239	3	109.2676	0.125	5	109.6754	3.151	14	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(H){2|C<4>,8|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{2|C<3>,3|C<4>,5|H<1>}	109.5130	0.000	1	109.5130	0.000	1	109.2903	0.239	3	109.2676	0.125	5	109.6754	3.151	14	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:N[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	N[6](C[6,6]C[6,6]C[6]H)2(H)2	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6]HH)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	N[6](C[6,6]C[6,6]C[6]H)2(H)2{5|C<4>,6|H<1>}	109.2335	0.141	2	109.2335	0.020	2	109.2335	0.020	2	109.2676	0.125	5	109.6754	3.151	14	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(N[6]C[6]CH)(H)	C[6,6](C[5,6]C[5,6a]C[5,6]O)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(N[6]C[6]CH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6a]C[5,6]O)(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(H){3|C<4>,5|H<1>}	111.0360	0.000	1	111.0360	0.000	1	111.0360	0.000	1	111.2800	5.808	4	109.6754	3.151	14	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6](C[6,6]C[6,6]CH)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6]N[6]H)(CH3)(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[6,6]CH)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6]N[6]H)(CH3)(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]HH)(CCHH)(H){1|C<3>,2|C<4>,5|H<1>}	107.9610	0.000	1	107.9610	0.000	1	107.9610	0.000	1	111.2800	5.808	4	109.6754	3.151	14	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:N[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6]-4:B-4:H-1:	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6]BH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	N[6](C[6,6]C[6,6]C[6]H)2(BC[6a]3)(H)	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6]BH)(C[6]C[6]HH)(H){3|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|B<4>,3|C<4>,6|H<1>}	N[6](C[6,6]C[6,6]C[6]H)2(BC[6a]3)(H){5|C<4>,6|H<1>}	113.0615	0.022	2	113.0615	0.000	2	113.0615	0.000	2	111.2800	5.808	4	109.6754	3.151	14	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[6]	4:4:4:1:	4:4:4:4:	4:4:4:1:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]CH)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CCHH)	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]2C)(C[6]C[6]HH)(N[6]C[6]CH)(H){1|O<2>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CCHH){3|C<4>,7|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]CH)(H){4|C<4>,4|H<1>}	110.4610	0.000	1	110.4610	0.000	1	110.3190	0.040	2	110.3190	0.040	2	109.6754	3.151	14	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6,6]	N[6]	4:4:4:1:	4:4:4:4:	4:4:4:1:	C[6,6]-4:C[6]-4:N[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]CH)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CH3)	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]2C)(C[6]C[6]HH)(N[6]C[6]CH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)2(CH3){3|C<4>,7|H<1>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	110.1770	0.000	1	110.1770	0.000	1	110.3190	0.040	2	110.3190	0.040	2	109.6754	3.151	14	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6]	N[3x6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	N[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]CH)(H)2	N[3x6](C[6,6]C[6]2H)3(H)	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){5|C<4>,5|H<1>}	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	N[3x6](C[6,6]C[6]2H)3(H){11|H<1>,1|C<3>,3|C<4>}	109.1840	0.000	1	109.1840	0.000	1	109.3024	0.365	5	109.3024	0.365	5	110.1135	4.240	6	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6]	N[3x6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	N[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]CH)(H)2	N[3x6](C[6,6]C[6]2H)3(H)	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]HH)2(H){5|C<4>,5|H<1>}	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	N[3x6](C[6,6]C[6]2H)3(H){11|H<1>,1|C<3>,3|C<4>}	108.6840	0.000	1	108.6840	0.000	1	109.3024	0.365	5	109.3024	0.365	5	110.1135	4.240	6	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6]	N[3x6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	N[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2	N[3x6](C[6,6]C[6]2H)3(H)	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]HH)2(H){4|C<4>,6|H<1>}	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	N[3x6](C[6,6]C[6]2H)3(H){11|H<1>,1|C<3>,3|C<4>}	110.2000	0.000	1	109.5480	0.442	3	109.3024	0.365	5	109.3024	0.365	5	110.1135	4.240	6	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6]	N[3x6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	N[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2	N[3x6](C[6,6]C[6]2H)3(H)	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]HH)2(H){4|C<4>,6|H<1>}	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	N[3x6](C[6,6]C[6]2H)3(H){11|H<1>,1|C<3>,3|C<4>}	108.8710	0.000	1	109.5480	0.442	3	109.3024	0.365	5	109.3024	0.365	5	110.1135	4.240	6	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6]	N[3x6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	N[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2	N[3x6](C[6,6]C[6]2H)3(H)	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]HH)2(H){5|C<4>,5|H<1>}	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	N[3x6](C[6,6]C[6]2H)3(H){11|H<1>,1|C<3>,3|C<4>}	109.5730	0.000	1	109.5480	0.442	3	109.3024	0.365	5	109.3024	0.365	5	110.1135	4.240	6	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6]	N[3x6]	4:4:4:1:	4:4:3:1:	4:4:4:1:	N[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(COO)(H)	N[3x6](C[6,6]C[6]2H)3(H)	C[6,6](N[3x6]C[6,6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){5|C<4>,5|H<1>}	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(COO)(H){3|C<4>,5|H<1>}	N[3x6](C[6,6]C[6]2H)3(H){11|H<1>,1|C<3>,3|C<4>}	114.1690	0.000	1	114.1690	0.000	1	114.1690	0.000	1	114.1690	0.000	1	110.1135	4.240	6	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6]	N[6,6]	3:4:4:1:	4:3:1:1:	4:4:4:1:	C[6,6a]-3:C[6]-4:N[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2H)(H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(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[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2H)(H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)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[6,6a]HH)(C[6]C[6]HH)(H){4|C<3>,4|H<1>}	107.3040	0.687	4	107.3040	0.473	4	107.3040	0.473	4	107.3040	0.473	4	109.6945	2.211	57	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6]	N[6,6]	3:4:4:1:	4:4:1:1:	4:4:4:1:	C[5a,6]-3:C[6]-4:N[6,6]-4:H-1:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-1:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(N[6,6]C[6]2O)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[5,6]C[5]H)(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)(O)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(N[6,6]C[6]2O)(H){2|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<2>,2|O<1>,4|C<4>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	110.2745	0.180	2	110.2745	0.033	2	110.2745	0.033	2	109.5710	0.450	5	109.6945	2.211	57	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6]	N[6,6]	3:4:4:1:	4:4:1:1:	4:4:4:1:	C[5a,6]-3:C[6]-4:N[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2H)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(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[6,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(N[6,6]C[6]2H)(H){2|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,2|C<3>,3|H<1>,4|C<4>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	108.9890	0.000	1	108.9890	0.000	1	108.9890	0.000	1	109.5710	0.450	5	109.6945	2.211	57	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6]	N[6,6]	3:4:4:1:	4:4:1:1:	4:4:4:1:	C[5a,6]-3:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(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[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	109.1585	0.316	2	109.1585	0.100	2	109.1585	0.100	2	109.5710	0.450	5	109.6945	2.211	57	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6]	N[6,6]	3:4:4:1:	4:4:1:1:	4:4:4:4:	N[5,6]-3:C[6]-4:N[6,6]-4:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6]HH)(N[6,6]C[6]2C)(H)	C[6](C[6,6]N[5,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	N[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	C[6,6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6]HH)(N[6,6]C[6]2C)(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]N[5,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,2|H<1>,6|C<4>}	N[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,5|H<1>}	111.1830	1.052	2	111.1830	1.107	2	111.1830	1.107	2	111.1830	1.107	2	109.6945	2.211	57	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6]	N[6,6]	3:4:4:1:	4:4:4:4:	4:4:4:1:	C[5a,6]-3:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6](C[5a,6]C[5a,6]O[5a])(N[6,6]C[6]2H)(C[6]C[6]CC)(H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CHHO)(CH3)	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]C[5a,6]O[5a])(N[6,6]C[6]2H)(C[6]C[6]CC)(H){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	111.3070	0.206	6	111.3070	0.042	6	111.3070	0.042	6	111.3070	0.042	6	109.6945	2.211	57	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6]	N[6,6]	3:4:4:2:	4:3:1:1:	4:4:4:4:	C[6,6a]-3:C[6]-4:N[6,6]-4:O-2:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2C)(OH)	C[6](C[6,6]C[6,6a]N[6,6]O)(C[6,6a]C[6,6a]C[6a])(H)2	N[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2C)(OH){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]O)(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,3|C<4>,4|C<3>}	N[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3){4|C<3>,4|H<1>}	105.9220	0.000	1	105.9220	0.000	1	105.9220	0.000	1	105.9220	0.000	1	109.6945	2.211	57	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6]	N[6,6]	4:4:4:1:	4:2:1:1:	4:4:1:1:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6](N[6,6]C[6,6]HH)(C[6]O[6]HH)2(H)	C[6](C[6,6]N[6,6]C[6]H)(O[6]C[6])(H)2	N[6,6](C[6,6]C[6]2H)2(H)2	C[6,6](N[6,6]C[6,6]HH)(C[6]O[6]HH)2(H){1|H<1>,2|C<4>}	C[6](C[6,6]N[6,6]C[6]H)(O[6]C[6])(H)2{1|C<4>,1|O<2>,6|H<1>}	N[6,6](C[6,6]C[6]2H)2(H)2{2|O<2>,8|H<1>}	107.7255	0.368	2	107.7255	0.136	2	107.7255	0.136	2	107.7255	0.136	2	109.6945	2.211	57	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6]	N[6,6]	4:4:4:1:	4:3:1:1:	4:4:4:1:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6](N[6,6]C[5,6]C[6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H)2	N[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[5,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,3|C<4>,3|H<1>}	N[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,9|H<1>}	109.4840	0.000	1	109.4840	0.000	1	109.4840	0.000	1	109.4840	0.000	1	109.6945	2.211	57	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6]	N[6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){1|N<3>,3|C<4>,9|H<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	111.1840	0.000	1	110.3490	1.394	2	110.0824	1.444	15	109.7579	1.490	28	109.6945	2.211	57	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6]	N[6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){1|N<4>,3|C<4>,9|H<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	109.5140	0.000	1	110.3490	1.394	2	110.0824	1.444	15	109.7579	1.490	28	109.6945	2.211	57	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6]	N[6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(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[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){10|H<1>,1|N<3>,2|C<4>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{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]HH)(H){1|C<3>,3|C<4>,6|H<1>}	110.6513	0.451	3	110.0414	1.555	13	110.0824	1.444	15	109.7579	1.490	28	109.6945	2.211	57	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6]	N[6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(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[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){10|H<1>,1|N<3>,2|C<4>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{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]HH)(H){4|C<4>,6|H<1>}	109.7827	1.281	6	110.0414	1.555	13	110.0824	1.444	15	109.7579	1.490	28	109.6945	2.211	57	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6]	N[6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(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[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){10|H<1>,1|N<4>,2|C<4>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{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]HH)(H){4|C<4>,6|H<1>}	108.6800	0.315	2	110.0414	1.555	13	110.0824	1.444	15	109.7579	1.490	28	109.6945	2.211	57	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6]	N[6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(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[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,9|H<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,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]HH)(H){1|C<3>,3|C<4>,6|H<1>}	112.1960	0.000	1	110.0414	1.555	13	110.0824	1.444	15	109.7579	1.490	28	109.6945	2.211	57	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6]	N[6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(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[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){1|N<4>,3|C<4>,9|H<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{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]HH)(H){4|C<4>,6|H<1>}	110.3320	0.000	1	110.0414	1.555	13	110.0824	1.444	15	109.7579	1.490	28	109.6945	2.211	57	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6]	N[6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6](C[6]C[5,6]HH)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]N[6,6]C[6]H)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH)(H)	C[6,6](C[6]C[5,6]HH)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){2|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]N[6,6]C[6]H)(H)2{1|N<3>,3|H<1>,7|C<4>}	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|N<3>,3|C<4>,6|H<1>}	111.8220	0.000	1	111.8220	0.000	1	111.8220	0.000	1	109.7579	1.490	28	109.6945	2.211	57	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6]	N[6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6](C[6]C[5,6]HH)(N[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH)(H)	C[6,6](C[6]C[5,6]HH)(N[6,6]C[6]2H)(C[6]C[6]HH)(H){2|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(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]CH)(H){1|N<3>,3|C<4>,6|H<1>}	110.1480	0.000	1	110.1480	0.000	1	110.1480	0.000	1	109.7579	1.490	28	109.6945	2.211	57	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6]	N[6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6](N[6,6]C[5,6]C[6]H)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	N[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[5,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	N[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,9|H<1>}	109.7210	0.000	1	109.7210	0.000	1	109.7210	0.000	1	109.7579	1.490	28	109.6945	2.211	57	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6]	N[6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6](N[6,6]C[6,6]CH)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]2H)2(CH3)(H)	C[6,6](N[6,6]C[6,6]CH)(C[6]C[6]HH)2(H){1|N<3>,2|C<4>,4|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	N[6,6](C[6,6]C[6]2H)2(CH3)(H){2|C<4>,8|H<1>}	109.3610	0.160	2	109.3610	0.026	2	108.9560	0.233	4	109.7579	1.490	28	109.6945	2.211	57	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6]	N[6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6](N[6,6]C[6,6]CH)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HN)(H)2	N[6,6](C[6,6]C[6]2H)2(CH3)(H)	C[6,6](N[6,6]C[6,6]CH)(C[6]C[6]HH)2(H){1|N<3>,2|C<4>,4|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HN)(H)2{3|C<4>,5|H<1>}	N[6,6](C[6,6]C[6]2H)2(CH3)(H){2|C<4>,8|H<1>}	108.5510	0.130	2	108.5510	0.017	2	108.9560	0.233	4	109.7579	1.490	28	109.6945	2.211	57	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6]	N[6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(H){3|C<4>,7|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(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]HH)2(H){3|C<4>,7|H<1>}	109.6010	0.000	1	109.6010	0.000	1	108.9690	0.799	2	109.7579	1.490	28	109.6945	2.211	57	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6]	N[6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(H){3|C<4>,7|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){3|C<4>,7|H<1>}	108.3370	0.000	1	108.3370	0.000	1	108.9690	0.799	2	109.7579	1.490	28	109.6945	2.211	57	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6]	N[6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6](N[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H)	C[6,6](N[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|S<2>,2|H<1>,5|C<4>}	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H){1|S<2>,2|C<3>,4|C<4>,5|H<1>}	107.3750	0.000	1	107.9140	0.581	2	109.1333	2.384	4	109.7579	1.490	28	109.6945	2.211	57	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6]	N[6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6](N[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H)	C[6,6](N[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{2|H<1>,6|C<4>}	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	108.4530	0.000	1	107.9140	0.581	2	109.1333	2.384	4	109.7579	1.490	28	109.6945	2.211	57	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6]	N[6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,8|H<1>}	110.9110	0.000	1	110.9110	0.000	1	109.1333	2.384	4	109.7579	1.490	28	109.6945	2.211	57	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6]	N[6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2{3|C<4>,5|H<1>}	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,8|H<1>}	109.7940	0.000	1	109.7940	0.000	1	109.1333	2.384	4	109.7579	1.490	28	109.6945	2.211	57	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6]	N[6,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[6,6]-4:N[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]N[6,6]H)(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)(CH3)	C[6,6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6]2C)(C[6]C[6]HH)(H){1|N<3>,3|C<4>,9|H<1>}	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{3|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]HH)(CH3){4|C<4>,6|H<1>}	111.5260	0.000	1	111.5260	0.000	1	111.5260	0.000	1	110.8460	0.351	4	109.6945	2.211	57	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6]	N[6,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:B-4:	C[6,6](N[6,6]C[6]2B)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(BH3)	C[6,6](N[6,6]C[6]2B)(C[6]C[6]HH)2(H){2|C<4>,8|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(BH3){2|C<4>,8|H<1>}	111.0370	0.000	1	111.0370	0.000	1	111.0370	0.000	1	110.8460	0.351	4	109.6945	2.211	57	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6]	N[6,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6](N[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	C[6,6](N[6,6]C[6]2C)(C[6]C[6]HH)2(H){3|C<4>,7|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){2|C<4>,8|H<1>}	110.7060	0.000	1	110.7060	0.000	1	110.4105	0.175	2	110.8460	0.351	4	109.6945	2.211	57	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6]	N[6,6]	4:4:4:1:	4:4:1:1:	4:4:4:4:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6,6](N[6,6]C[6]2C)(C[6]C[6]HH)2(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	C[6,6](N[6,6]C[6]2C)(C[6]C[6]HH)2(H){3|C<4>,7|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){2|C<4>,8|H<1>}	110.1150	0.000	1	110.1150	0.000	1	110.4105	0.175	2	110.8460	0.351	4	109.6945	2.211	57	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6]	N[6,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6](N[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H)	C[6,6](N[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H){1|S<2>,2|C<3>,4|C<4>,5|H<1>}	110.6230	0.000	1	110.7870	0.054	2	110.7870	0.054	2	110.7870	0.054	2	109.6945	2.211	57	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6]	N[6,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	N[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6](N[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H)	C[6,6](N[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){3|C<4>,5|H<1>}	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	110.9510	0.000	1	110.7870	0.054	2	110.7870	0.054	2	110.7870	0.054	2	109.6945	2.211	57	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6,6]	C[6]	N[6,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	N[6,6]-4:C[6]-4:C[6]-4:Si-4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(SiC3)	C[6](C[6,6]N[6,6]C[6]Si)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]2Si)(C[6]C[6]HH)2(H)	C[6,6](N[6,6]C[6]2H)(C[6]C[6]HH)2(SiC3){2|C<4>,8|H<1>}	C[6](C[6,6]N[6,6]C[6]Si)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	N[6,6](C[6,6]C[6]2Si)(C[6]C[6]HH)2(H){2|C<4>,8|H<1>}	108.1340	0.321	2	108.1340	0.103	2	108.1340	0.103	2	108.1340	0.103	2	109.6945	2.211	57	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6,6]	N[6,6]	4:4:1:1:	3:4:4:1:	4:4:4:1:	C[6,6]-4:N[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6,6]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](C[6,6]C[6,6a]C[6,6]H)(N[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){2|C<3>,3|C<4>,3|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)(H){1|C<3>,3|C<4>,6|H<1>}	111.8223	0.126	3	111.8223	0.016	3	111.8223	0.016	3	111.8223	0.016	3	112.1933	1.686	19	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6,6]	N[6,6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:N[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(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](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6]H)(H)2{1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|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)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	112.8270	0.000	1	112.8270	0.000	1	112.8270	0.000	1	111.8585	1.097	11	112.1933	1.686	19	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6,6]	N[6,6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	N[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]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](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|N<4>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]N[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){1|C<3>,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]HH)(H){1|C<3>,3|C<4>,6|H<1>}	113.7130	0.000	1	113.7130	0.000	1	111.7617	1.105	10	111.8585	1.097	11	112.1933	1.686	19	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6,6]	N[6,6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	N[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]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](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2{1|N<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){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]HH)(H){4|C<4>,6|H<1>}	111.1297	0.597	6	111.5449	0.714	9	111.7617	1.105	10	111.8585	1.097	11	112.1933	1.686	19	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6,6]	N[6,6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	N[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]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](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2{1|N<4>,4|C<4>,6|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){5|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)(H){4|C<4>,6|H<1>}	112.3753	0.643	3	111.5449	0.714	9	111.7617	1.105	10	111.8585	1.097	11	112.1933	1.686	19	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6,6]	N[6,6]	4:4:1:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:N[6,6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6]C)(H)2	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(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)(CH3)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6]C)(H)2{1|N<3>,4|C<4>,6|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){3|H<1>,6|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)(CH3){4|C<4>,6|H<1>}	113.5080	0.000	1	113.5080	0.000	1	113.5080	0.000	1	114.3850	0.768	3	112.1933	1.686	19	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6,6]	N[6,6]	4:4:1:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:N[6,6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6]C)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H)	N[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6]C)(H)2{1|N<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,4|C<4>,5|H<1>}	N[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,5|H<1>}	114.8235	0.619	2	114.8235	0.383	2	114.8235	0.383	2	114.3850	0.768	3	112.1933	1.686	19	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6,6]	N[6,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	N[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(CCCH)(H)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]CH)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(CCCH)(H){1|N<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]CH)(H){1|C<3>,4|C<4>,4|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	111.5840	0.000	1	111.3030	0.158	2	111.3030	0.158	2	111.3030	0.158	2	112.1933	1.686	19	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6,6]	N[6,6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	N[6,6]-4:C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(CCCH)(H)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]CH)(H)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(CCCH)(H){1|N<4>,4|C<4>,6|H<1>}	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]HH)(C[6]N[6,6]CH)(H){5|C<4>,5|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	111.0220	0.000	1	111.3030	0.158	2	111.3030	0.158	2	111.3030	0.158	2	112.1933	1.686	19	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6,6]	N[6]	4:4:1:1:	3:4:4:1:	4:4:1:1:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6,6]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]2H)(N[6]C[6]HH)(H)2	C[6,6](C[6,6]N[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H)	N[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6]2H)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6](C[6,6]N[6,6]C[6])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	111.4725	0.564	2	111.4725	0.318	2	111.4725	0.318	2	111.0238	1.023	19	112.1237	2.971	52	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6,6]	N[6]	4:4:1:1:	3:4:4:1:	4:4:1:1:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6]C[6]HH)(H)2	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H)	N[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	110.9710	1.050	17	110.9710	1.103	17	110.9710	1.103	17	111.0238	1.023	19	112.1237	2.971	52	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6,6]	N[6]	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(C[6]N[6]HH)(H)	N[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]HH)(H)2{1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(C[6]N[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	111.9670	0.252	2	111.9670	0.063	2	112.4430	0.721	19	112.4061	0.711	20	112.1237	2.971	52	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6,6]	N[6]	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]HH)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6a]HH)(C[6]N[6]HH)(H)	N[6](C[6]C[6,6]HH)2(H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]HH)(H)2{1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6,6a]HH)(C[6]N[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	112.4990	0.881	17	112.4990	0.776	17	112.4430	0.721	19	112.4061	0.711	20	112.1237	2.971	52	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6,6]	N[6]	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]HH)(H)2	C[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2H)(C[6]N[6]HH)(H)	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6]C[5a,6]CH)(C[6,6]C[6]2H)(C[6]N[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	111.7050	0.000	1	111.7050	0.000	1	111.7050	0.000	1	112.4061	0.711	20	112.1237	2.971	52	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6,6]	N[6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:N[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]CH)(H)2	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]HH)(C[6]N[6]HH)(H)	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6]C[6]HH)(C[6]N[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	111.1590	0.000	1	111.1590	0.000	1	110.8160	0.104	3	111.8243	1.460	7	112.1237	2.971	52	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6,6]	N[6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:N[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]CH)(H)2	C[6,6](C[5,6,6]C[6,6]C[5]2)(C[6]N[6]HH)2(H)	N[6](C[6]C[6,6]HH)2(CC[3]HH)(H)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]CH)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[6,6]C[5]2)(C[6]N[6]HH)2(H){6|C<4>,6|H<1>}	N[6](C[6]C[6,6]HH)2(CC[3]HH)(H){2|H<1>,3|C<4>}	110.6445	0.180	2	110.6445	0.033	2	110.8160	0.104	3	111.8243	1.460	7	112.1237	2.971	52	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6,6]	N[6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H)	N[6](C[6]C[6,6]HH)2(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CH)(H)2{1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H){2|H<1>,4|C<4>}	N[6](C[6]C[6,6]HH)2(CCHH)(H){2|H<1>,3|C<4>}	111.7400	0.214	2	111.7400	0.046	2	112.5805	1.071	4	111.8243	1.460	7	112.1237	2.971	52	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6,6]	N[6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CH)(H)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]HH)(H)	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]HH)(H){3|C<4>,7|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCHH)(H){2|C<4>,3|H<1>}	113.4210	0.585	2	113.4210	0.343	2	112.5805	1.071	4	111.8243	1.460	7	112.1237	2.971	52	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6,6]	N[6]	4:4:1:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]N[6]HH)(H)	N[6](C[6]C[6,6]HH)2(CH3)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CC)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]CH)(C[6]N[6]HH)(H){1|H<1>,5|C<4>}	N[6](C[6]C[6,6]HH)2(CH3)2{2|H<1>,3|C<4>}	115.6755	0.204	2	115.6755	0.042	2	116.3023	0.541	4	116.3023	0.541	4	112.1237	2.971	52	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6,6]	N[6]	4:4:1:1:	4:4:4:1:	4:4:4:4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CC)(H)2	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H)	N[6](C[6]C[6,6]HH)2(CH3)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CC)(H)2{1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]N[6]HH)2(H){1|H<1>,5|C<4>}	N[6](C[6]C[6,6]HH)2(CH3)2{2|H<1>,3|C<4>}	116.9290	0.096	2	116.9290	0.009	2	116.3023	0.541	4	116.3023	0.541	4	112.1237	2.971	52	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6,6]	N[6]	4:4:1:1:	4:4:4:4:	4:4:4:1:	C[6,6]-4:N[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:C-4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]CH)(H)2	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO)	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]C[5,6,6]C[6]C)(N[6]C[5,6,6]CH)(H)2{1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[6]C[6]HO)(C[6]N[6]HH)(CHHO){1|O<2>,4|H<1>,5|C<4>}	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,7|C<4>}	109.7970	0.000	1	109.7970	0.000	1	109.7970	0.000	1	112.4400	13.971	2	112.1237	2.971	52	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6,6]	N[6]	4:4:1:1:	4:4:4:4:	4:4:4:1:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]CH)(H)2	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2O)(C[6]N[6]HH)(CH3)	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2O)(C[6]N[6]HH)(CH3){2|C<4>,3|C<3>,7|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H){2|H<1>,3|C<4>}	115.0830	0.000	1	115.0830	0.000	1	115.0830	0.000	1	112.4400	13.971	2	112.1237	2.971	52	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[4x6]	4:4:1:1:	4:2:4:1:	4:4:4:4:	N[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:O-1:	C[3x6]-4:C[6,6]-4:C[6,6]-4:C[6]-4:	C[6](N[4x6]C[3x6]C[6,6]2)(C[6]O[6]CO)(H)2	C[6](C[6]N[4x6]HH)(O[6]C[6])(CH3)(O)	N[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH)	C[6](N[4x6]C[3x6]C[6,6]2)(C[6]O[6]CO)(H)2{4|C<4>,5|H<1>}	C[6](C[6]N[4x6]HH)(O[6]C[6])(CH3)(O){1|C<3>,1|H<1>,3|C<4>}	N[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)2(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	113.4920	0.000	1	113.4920	0.000	1	113.4920	0.000	1	113.4920	0.000	1	113.4920	0.000	1	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6,6]	4:3:4:1:	4:4:1:1:	4:4:4:1:	N[6,6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6](N[6,6]C[6,6]C[6]H)(C[5a]C[5a]2)(C[6]C[6]HH)(H)	C[6](C[6]N[6,6]C[5a]H)(C[6]C[6]HH)(H)2	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[5a]C[5a]2)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[6]N[6,6]C[5a]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H){1|S<2>,2|C<3>,4|C<4>,5|H<1>}	109.2030	0.000	1	109.4210	0.095	2	109.4210	0.095	2	108.8020	1.197	3	111.5219	1.664	131	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6,6]	4:3:4:1:	4:4:1:1:	4:4:4:1:	N[6,6]-4:C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6](N[6,6]C[6,6]C[6]H)(C[5a]C[5a]2)(C[6]C[6]HH)(H)	C[6](C[6]N[6,6]C[5a]H)(C[6]C[6]HH)(H)2	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[5a]C[5a]2)(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[6](C[6]N[6,6]C[5a]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	N[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]2H)(C[6]C[5,6]HH)(H){2|C<3>,5|C<4>,5|H<1>}	109.6390	0.000	1	109.4210	0.095	2	109.4210	0.095	2	108.8020	1.197	3	111.5219	1.664	131	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6,6]	4:3:4:1:	4:4:1:1:	4:4:4:1:	N[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6](N[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]HO)(H)2	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]HO)(H)2{2|C<3>,2|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]HH)(H){2|C<3>,2|C<4>,8|H<1>}	107.5640	0.000	1	107.5640	0.000	1	107.5640	0.000	1	108.8020	1.197	3	111.5219	1.664	131	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6,6]	4:4:1:1:	3:4:1:1:	4:4:4:1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]N[6,6]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[3x6]C[6]H)(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]N[6,6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	112.8690	0.000	1	112.8690	0.000	1	112.8690	0.000	1	110.8418	1.487	17	111.5219	1.664	131	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6,6]	4:4:1:1:	3:4:1:1:	4:4:4:1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]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[6,6]C[6]H)(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	110.8210	0.000	1	110.8210	0.000	1	111.2622	0.283	9	110.8418	1.487	17	111.5219	1.664	131	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6,6]	4:4:1:1:	3:4:1:1:	4:4:4:1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]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[6,6]C[6]H)(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	110.8685	0.491	2	111.3174	0.293	8	111.2622	0.283	9	110.8418	1.487	17	111.5219	1.664	131	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6,6]	4:4:1:1:	3:4:1:1:	4:4:4:1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]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[6,6]C[6]H)(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	111.4670	0.504	6	111.3174	0.293	8	111.2622	0.283	9	110.8418	1.487	17	111.5219	1.664	131	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6,6]	4:4:1:1:	3:4:1:1:	4:4:4:1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:O-1:	C[6](N[6,6]C[6,6]C[6]O)(C[6]C[5a,6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]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)(O)	C[6](N[6,6]C[6,6]C[6]O)(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]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]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	111.8485	0.532	2	111.8485	0.284	2	111.8485	0.284	2	110.8418	1.487	17	111.5219	1.664	131	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6,6]	4:4:1:1:	3:4:1:1:	4:4:4:1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]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[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{2|C<3>,2|C<4>,2|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)(H){2|C<3>,3|C<4>,4|H<1>}	109.8410	0.000	1	109.8410	0.000	1	109.2768	0.318	5	110.8418	1.487	17	111.5219	1.664	131	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6,6]	4:4:1:1:	3:4:1:1:	4:4:4:1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]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[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{2|C<3>,2|C<4>,2|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)(H){4|C<3>,4|H<1>}	109.1358	0.540	4	109.1358	0.291	4	109.2768	0.318	5	110.8418	1.487	17	111.5219	1.664	131	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6,6]	4:4:1:1:	3:4:1:1:	4:4:4:4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	N[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	N[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3){4|C<3>,4|H<1>}	110.6780	0.000	1	110.6780	0.000	1	110.6780	0.000	1	111.4019	0.903	7	111.5219	1.664	131	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6,6]	4:4:1:1:	3:4:1:1:	4:4:4:4:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6](N[6,6]C[3x6]C[6]C)(C[6]N[6,6]HH)(H)2	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(CC[6a]HH)	C[6](N[6,6]C[3x6]C[6]C)(C[6]N[6,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	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)2(CC[6a]HH){2|C<4>,2|N<3>,5|H<1>}	113.4370	0.000	1	111.6614	1.057	5	111.5225	0.962	6	111.4019	0.903	7	111.5219	1.664	131	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6,6]	4:4:1:1:	3:4:1:1:	4:4:4:4:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6](N[6,6]C[3x6]C[6]C)(C[6]N[6,6]HH)(H)2	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(CC[6a]HH)	C[6](N[6,6]C[3x6]C[6]C)(C[6]N[6,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	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(CC[6a]HH){1|N<3>,1|N<4>,2|C<4>,5|H<1>}	111.1573	0.350	3	111.6614	1.057	5	111.5225	0.962	6	111.4019	0.903	7	111.5219	1.664	131	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6,6]	4:4:1:1:	3:4:1:1:	4:4:4:4:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6](N[6,6]C[3x6]C[6]C)(C[6]N[6,6]HH)(H)2	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(CC[6a]HH)	C[6](N[6,6]C[3x6]C[6]C)(C[6]N[6,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	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(CC[6a]HH){1|N<3>,1|N<4>,3|C<4>,4|H<1>}	111.3980	0.000	1	111.6614	1.057	5	111.5225	0.962	6	111.4019	0.903	7	111.5219	1.664	131	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6,6]	4:4:1:1:	3:4:1:1:	4:4:4:4:	N[6,6]-4:C[6]-4:H-1:H-1:	N[6,6]-3:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6](N[6,6]C[3x6]C[6]C)(C[6]N[6,6]HH)(H)2	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(CH3)	C[6](N[6,6]C[3x6]C[6]C)(C[6]N[6,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	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(CH3){1|N<3>,1|N<4>,2|C<4>,5|H<1>}	110.8280	0.000	1	110.8280	0.000	1	111.5225	0.962	6	111.4019	0.903	7	111.5219	1.664	131	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6,6]	4:4:1:1:	4:2:1:1:	4:4:4:4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6](N[6,6]C[6,6]C[6]C)(C[6]O[6]HH)(H)2	C[6](C[6]N[6,6]HH)(O[6]C[6,6])(H)2	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(CCHH)	C[6](N[6,6]C[6,6]C[6]C)(C[6]O[6]HH)(H)2{2|C<4>,4|H<1>}	C[6](C[6]N[6,6]HH)(O[6]C[6,6])(H)2{1|N<3>,1|O<2>,3|C<4>}	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(CCHH){1|N<3>,2|O<2>,4|H<1>}	111.5315	0.025	2	111.5315	0.001	2	111.3783	0.078	6	111.8071	0.732	12	111.5219	1.664	131	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6,6]	4:4:1:1:	4:2:1:1:	4:4:4:4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6](N[6,6]C[6,6]C[6]C)(C[6]O[6]HH)(H)2	C[6](C[6]N[6,6]HH)(O[6]C[6,6])(H)2	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(CH3)	C[6](N[6,6]C[6,6]C[6]C)(C[6]O[6]HH)(H)2{2|C<4>,4|H<1>}	C[6](C[6]N[6,6]HH)(O[6]C[6,6])(H)2{1|N<3>,1|O<2>,3|C<4>}	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)2(CH3){1|N<3>,2|O<2>,4|H<1>}	111.3017	0.326	4	111.3017	0.106	4	111.3783	0.078	6	111.8071	0.732	12	111.5219	1.664	131	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6,6]	4:4:1:1:	4:2:1:1:	4:4:4:4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6](N[6,6]C[6]3)(C[6]O[6]HH)(H)2	C[6](C[6]N[6,6]HH)(O[6]C[6])(H)2	N[6,6](C[6]C[6]HH)4	C[6](N[6,6]C[6]3)(C[6]O[6]HH)(H)2{3|C<4>,6|H<1>}	C[6](C[6]N[6,6]HH)(O[6]C[6])(H)2{2|H<1>,3|C<4>}	N[6,6](C[6]C[6]HH)4{1|N<4>,1|O<2>,8|H<1>}	112.2358	1.045	6	112.2358	1.091	6	112.2358	1.091	6	111.8071	0.732	12	111.5219	1.664	131	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6,6]	4:4:1:1:	4:4:1:1:	3:4:4:4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:B[6]-4:C[6]-4:C[6]-4:	C[6](N[6,6]C[6,6a]B[6]C[6])(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]H[6]H)(C[6]C[6]HH)2	C[6](N[6,6]C[6,6a]B[6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<2>,3|C<3>,5|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,2|H<1>}	N[6,6](C[6,6a]C[6,6a]C[6a])(B[6]C[6a]H[6]H)(C[6]C[6]HH)2{1|B<4>,1|C<4>,4|C<3>,5|H<1>}	113.1002	1.127	4	113.1002	1.271	4	113.1002	1.271	4	113.1002	1.271	4	111.5219	1.664	131	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	N[6,6](B[6,6]N[6]2F)(C[6]C[6]HH)2(H)	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|F<1>,1|N<3>,1|N<4>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,1|H<1>,1|P<4>}	N[6,6](B[6,6]N[6]2F)(C[6]C[6]HH)2(H){2|C<4>,2|P<4>,5|H<1>}	110.7350	0.000	1	110.5483	0.875	6	110.6506	0.400	18	111.1037	1.048	52	111.5219	1.664	131	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	N[6,6](B[6,6]N[6]2F)(C[6]C[6]HH)2(H)	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|F<1>,1|N<3>,1|N<4>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,1|P<4>,2|H<1>}	N[6,6](B[6,6]N[6]2F)(C[6]C[6]HH)2(H){2|C<4>,2|P<4>,5|H<1>}	108.7700	0.000	1	110.5483	0.875	6	110.6506	0.400	18	111.1037	1.048	52	111.5219	1.664	131	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	N[6,6](B[6,6]N[6]2F)(C[6]C[6]HH)2(H)	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|F<1>,2|N<3>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,1|H<1>,1|P<4>}	N[6,6](B[6,6]N[6]2F)(C[6]C[6]HH)2(H){2|C<4>,2|P<4>,4|H<1>}	110.9462	0.426	4	110.5483	0.875	6	110.6506	0.400	18	111.1037	1.048	52	111.5219	1.664	131	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	N[6,6](B[6,6]N[6]2O)(C[6]C[6]HH)2(H)	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|N<3>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,1|H<1>,1|P<4>}	N[6,6](B[6,6]N[6]2O)(C[6]C[6]HH)2(H){2|C<4>,2|P<4>,4|H<1>}	110.5521	0.484	8	110.5521	0.235	8	110.6506	0.400	18	111.1037	1.048	52	111.5219	1.664	131	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	B[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]O[6]HH)(H)2	N[6,6](B[6,6]C[6a]O[6]2)(C[6]C[6]HH)2(H)	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]O[6]HH)(H)2{1|B<4>,1|C<4>,1|H<1>}	N[6,6](B[6,6]C[6a]O[6]2)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	111.0007	0.221	4	111.0007	0.049	4	110.6506	0.400	18	111.1037	1.048	52	111.5219	1.664	131	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]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[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	N[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	110.6350	0.000	1	110.6350	0.000	1	111.4308	1.246	6	111.1037	1.048	52	111.5219	1.664	131	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]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[3x6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{2|H<1>,3|C<4>}	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(H){4|C<4>,6|H<1>}	111.7525	1.283	4	111.7525	1.647	4	111.4308	1.246	6	111.1037	1.048	52	111.5219	1.664	131	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)2(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[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]N[6,6]HH)2(H)2{1|H<1>,3|C<4>}	N[6,6](C[3x6]C[5,6,6]N[6,6]C)(C[6]C[6]HH)2(H){1|N<3>,1|N<4>,3|C<4>,4|H<1>}	110.9400	0.000	1	110.9400	0.000	1	111.4308	1.246	6	111.1037	1.048	52	111.5219	1.664	131	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:O-1:	C[6](N[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(O)	C[6](N[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(O){1|O<2>,4|C<4>,5|H<1>}	110.8070	0.000	1	111.0370	0.106	2	111.0370	0.106	2	111.1037	1.048	52	111.5219	1.664	131	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:O-1:	C[6](N[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(O)	C[6](N[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|O<1>,1|O<2>,3|C<4>}	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(O){1|O<2>,4|C<4>,5|H<1>}	111.2670	0.000	1	111.0370	0.106	2	111.0370	0.106	2	111.1037	1.048	52	111.5219	1.664	131	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){3|C<4>,7|H<1>}	111.7590	0.000	1	111.7590	0.000	1	111.4303	1.269	24	111.1037	1.048	52	111.5219	1.664	131	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(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[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	110.2300	0.081	6	110.2300	0.007	6	111.4303	1.269	24	111.1037	1.048	52	111.5219	1.664	131	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(C[6]C[6]HH)(H){4|C<4>,6|H<1>}	112.6935	0.152	2	112.6935	0.023	2	111.4303	1.269	24	111.1037	1.048	52	111.5219	1.664	131	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(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[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|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)(H){1|C<3>,3|C<4>,6|H<1>}	112.6118	1.096	4	111.7527	1.314	13	111.4303	1.269	24	111.1037	1.048	52	111.5219	1.664	131	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(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[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|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)(H){4|C<4>,6|H<1>}	111.3709	0.994	9	111.7527	1.314	13	111.4303	1.269	24	111.1037	1.048	52	111.5219	1.664	131	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]2Si)(C[6]C[6]HH)2(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Si<4>,3|C<4>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	N[6,6](C[6,6]C[6]2Si)(C[6]C[6]HH)2(H){2|C<4>,8|H<1>}	111.5075	0.210	2	111.5075	0.044	2	111.4303	1.269	24	111.1037	1.048	52	111.5219	1.664	131	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6,6]-4:C[6]-4:H-1:	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{2|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]HH)(H){2|C<3>,2|C<4>,8|H<1>}	111.5980	0.000	1	111.5980	0.000	1	111.5980	0.000	1	111.1037	1.048	52	111.5219	1.664	131	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6,6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[6,6]-4:C[6]-4:H-1:H-1:	N[5,6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:H-1:	C[6](N[6,6]C[3x6]C[6]H)(C[6]N[5,6]HH)(H)2	C[6](N[5,6]C[5,6,6]C[5]H)(C[6]N[6,6]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[3x6]C[6]H)(C[6]N[5,6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	C[6](N[5,6]C[5,6,6]C[5]H)(C[6]N[6,6]HH)(H)2{1|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(H){1|N<3>,1|N<4>,3|C<4>,4|H<1>}	109.1000	0.000	1	109.1000	0.000	1	109.1000	0.000	1	111.1037	1.048	52	111.5219	1.664	131	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6,6]	4:4:1:1:	4:4:1:1:	4:4:4:2:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:O-2:	C[6](N[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(OH)	C[6](N[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	N[6,6](C[3x6]C[6,6]2H)(C[6]C[6]HH)2(OH){4|C<4>,6|H<1>}	111.2030	0.354	2	111.2030	0.125	2	111.2030	0.125	2	111.2030	0.125	2	111.5219	1.664	131	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[6]-4:N[6,6]-4:H-1:H-1:	C[6]-4:N[6,6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6](C[6]N[6,6]HH)(N[6,6]C[6]3)(H)2	C[6](C[6]N[6,6]HH)(N[6,6]C[6]3)(H)2	N[6,6](C[6]C[6]HH)4	C[6](C[6]N[6,6]HH)(N[6,6]C[6]3)(H)2{5|C<4>,6|H<1>}	C[6](C[6]N[6,6]HH)(N[6,6]C[6]3)(H)2{5|C<4>,6|H<1>}	N[6,6](C[6]C[6]HH)4{1|N<4>,1|O<2>,8|H<1>}	111.5458	1.602	6	111.5458	2.565	6	111.5458	2.565	6	112.4736	0.832	29	111.5219	1.664	131	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	C[6](C[5,6]N[5,6]C[5]O)(C[6]N[6,6]HH)(H)2	N[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]O)(C[6]N[6,6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	N[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,5|H<1>}	112.1710	0.288	2	112.1710	0.083	2	112.1710	0.083	2	112.4736	0.832	29	111.5219	1.664	131	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6](N[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)2(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH)	C[6](N[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]N[6,6]HH)2(H)2{4|C<4>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH){1|N<3>,1|N<4>,2|C<4>,5|H<1>}	112.6243	0.293	3	112.8218	0.213	4	112.8264	0.160	5	112.4736	0.832	29	111.5219	1.664	131	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6](N[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)2(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH)	C[6](N[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]N[6,6]HH)2(H)2{4|C<4>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH){2|C<4>,2|N<3>,5|H<1>}	113.4140	0.000	1	112.8218	0.213	4	112.8264	0.160	5	112.4736	0.832	29	111.5219	1.664	131	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6](N[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)2(H)2	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CH3)	C[6](N[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]N[6,6]HH)2(H)2{4|C<4>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CH3){1|N<3>,1|N<4>,2|C<4>,5|H<1>}	112.8450	0.000	1	112.8450	0.000	1	112.8264	0.160	5	112.4736	0.832	29	111.5219	1.664	131	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:B-4:	C[6](N[6,6]C[6,6]C[6]B)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(BH3)	C[6](N[6,6]C[6,6]C[6]B)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|B<4>,2|C<4>,2|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(BH3){2|C<4>,8|H<1>}	113.5350	0.000	1	113.5350	0.000	1	113.5350	0.000	1	112.4736	0.832	29	111.5219	1.664	131	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){2|C<4>,8|H<1>}	112.9830	0.000	1	112.9830	0.000	1	113.2003	0.035	3	112.4736	0.832	29	111.5219	1.664	131	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(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)(CH3)	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|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)(CH3){4|C<4>,6|H<1>}	113.3070	0.000	1	113.3070	0.000	1	113.2003	0.035	3	112.4736	0.832	29	111.5219	1.664	131	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-4:	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3)	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(CH3){2|C<4>,8|H<1>}	113.3110	0.000	1	113.3110	0.000	1	113.2003	0.035	3	112.4736	0.832	29	111.5219	1.664	131	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6](N[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]N[6]H)(C[6]N[6,6]HH)(H)2	N[6,6](C[6]C[6]HH)4	C[6](N[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|N<4>,3|C<4>,7|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]N[6,6]HH)(H)2{3|H<1>,5|C<4>}	N[6,6](C[6]C[6]HH)4{2|C<4>,8|H<1>}	112.7550	0.129	2	112.7550	0.017	2	112.5707	0.081	12	112.4736	0.832	29	111.5219	1.664	131	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6,6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:C[6]-4:	C[6](N[6,6]C[6]3)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	N[6,6](C[6]C[6]HH)4	C[6](N[6,6]C[6]3)(C[6]C[6]HH)(H)2{3|C<4>,8|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	N[6,6](C[6]C[6]HH)4{2|C<4>,8|H<1>}	112.5339	0.298	10	112.5339	0.089	10	112.5707	0.081	12	112.4736	0.832	29	111.5219	1.664	131	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6,6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CCHH)(H)	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[6,6]C[6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CCHH)(H){2|C<4>,3|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	112.6115	0.412	2	112.6115	0.170	2	112.9883	0.511	3	112.9883	0.511	3	111.5219	1.664	131	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6,6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H)	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)2(H){3|C<4>,7|H<1>}	113.7420	0.000	1	113.7420	0.000	1	112.9883	0.511	3	112.9883	0.511	3	111.5219	1.664	131	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6,6]	4:4:1:1:	4:4:4:1:	4:4:4:4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[3x6]-4:C[6]-4:C[6]-4:C-4:	C[6](N[6,6]C[3x6]C[6]C)(C[6]C[6]CH)(H)2	C[6](C[6]N[6,6]HH)2(CCHH)(H)	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH)	C[6](N[6,6]C[3x6]C[6]C)(C[6]C[6]CH)(H)2{1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]N[6,6]HH)2(CCHH)(H){4|C<4>}	N[6,6](C[3x6]C[3x6]N[6,6]H)(C[6]C[6]HH)2(CC[6a]HH){1|N<3>,1|N<4>,3|C<4>,4|H<1>}	114.4780	0.000	1	114.4780	0.000	1	114.4780	0.000	1	114.4780	0.000	1	111.5219	1.664	131	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	N[6,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(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](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	N[6,6](C[6,6]C[6]2H)(C[6]C[5,6]HH)(C[6]C[6]CH)(H){1|N<3>,3|C<4>,6|H<1>}	109.7780	0.000	1	109.7780	0.000	1	109.7780	0.000	1	109.7780	0.000	1	111.5219	1.664	131	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	3:4:4:1:	4:3:1:1:	4:4:1:1:	C[6a]-3:C[6]-4:N[6]-4:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]HH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	N[6](C[6]C[6a]C[6]H)2(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(H)2{1|C<4>,3|H<1>,5|C<3>}	108.0820	0.000	1	108.0820	0.000	1	108.0820	0.000	1	108.0820	0.000	1	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	3:4:4:1:	4:3:4:1:	4:4:1:1:	C[6a]-3:C[6]-4:N[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H)	N[6](C[6]C[6a]C[6]H)2(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6]H)2(H)2{1|C<4>,3|H<1>,5|C<3>}	109.0660	0.000	1	108.7720	0.173	2	108.5347	0.255	3	108.5347	0.255	3	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	3:4:4:1:	4:3:4:1:	4:4:1:1:	C[6a]-3:C[6]-4:N[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H)	N[6](C[6]C[6a]C[6]H)2(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCHH)(H){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(H)2{2|C<4>,2|H<1>,5|C<3>}	108.4780	0.000	1	108.7720	0.173	2	108.5347	0.255	3	108.5347	0.255	3	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	3:4:4:1:	4:3:4:1:	4:4:1:1:	C[6a]-3:C[6]-4:N[6]-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H)	N[6](C[6]C[6a]C[6]H)2(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CH3)(H){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)2(H)2{2|C<4>,2|H<1>,5|C<3>}	108.0600	0.000	1	108.0600	0.000	1	108.5347	0.255	3	108.5347	0.255	3	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	3:4:4:1:	4:4:1:1:	4:4:1:1:	C[6a]-3:C[6]-4:N[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(N[6]C[6]HH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(N[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	108.8690	0.000	1	108.8690	0.000	1	108.8690	0.000	1	108.8690	0.000	1	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	3:4:4:1:	4:4:2:1:	4:4:1:1:	C[6a]-3:C[6]-4:N[6]-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]HH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OC)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]HH)(H){1|C<4>,2|C<3>,2|F<1>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(OC)(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)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	108.3170	0.000	1	108.3170	0.000	1	108.3170	0.000	1	108.3170	0.000	1	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	3:4:4:1:	4:4:4:1:	4:4:1:1:	C[6a]-3:C[6]-4:N[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(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)2{2|C<3>,2|C<4>,3|H<1>}	108.5380	0.000	1	108.5380	0.000	1	108.5380	0.000	1	108.5380	0.000	1	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	3:4:4:4:	3:4:4:4:	4:4:1:1:	C[6a]-3:C[6]-4:N[6]-4:C-4:	C[6a]-3:C[6]-4:N[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6]C)(N[6]C[6]HH)(CH3)	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6]C)(N[6]C[6]HH)(CH3)	N[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6]C)(N[6]C[6]HH)(CH3){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6]C)(N[6]C[6]HH)(CH3){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	N[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<4>,2|C<3>,2|H<1>}	108.3615	0.377	2	108.3615	0.142	2	108.3615	0.142	2	108.3615	0.142	2	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5a]-3:C[6]-4:N[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]HH)(N[6]C[6]HH)(CC[6]HH)	C[6](C[6]C[5a]N[6]C)(C[6]C[6]HH)(H)2	N[6](C[6]C[5a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[5a]N[5a]2)(C[6]C[6]HH)(N[6]C[6]HH)(CC[6]HH){2|C<4>,2|N<2>,4|H<1>}	C[6](C[6]C[5a]N[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	N[6](C[6]C[5a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	106.7370	0.000	1	106.7370	0.000	1	106.7370	0.000	1	106.7370	0.000	1	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:3:4:1:	4:3:4:1:	4:4:1:1:	C[6]-4:C[6a]-3:N[6]-4:H-1:	C[6]-4:C[6a]-3:N[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]HH)(H)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]HH)(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]HH)(H){1|C<4>,4|C<3>,6|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]HH)(H){1|C<4>,4|C<3>,6|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,3|C<3>,3|H<1>}	110.2610	0.079	2	110.2610	0.006	2	110.2610	0.006	2	110.2610	0.006	2	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:3:4:1:	4:4:1:1:	4:3:4:1:	N[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6](N[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](N[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(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]CH)(H){2|C<4>,4|C<3>,5|H<1>}	110.0705	0.808	2	110.0705	0.653	2	110.0705	0.653	2	110.0705	0.653	2	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:3:4:1:	4:4:1:1:	4:3:4:4:	C[6]-4:C[6a]-3:N[6]-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-3:C-4:C-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6]CC)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6]H)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CCHH)(CH3)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6]CC)(H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6]H)(H)2{2|H<1>,3|C<4>,4|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CCHH)(CH3){2|C<3>,2|C<4>,3|H<1>}	109.9180	0.000	1	109.9180	0.000	1	109.9180	0.000	1	109.9180	0.000	1	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:3:4:1:	4:4:1:1:	4:4:1:1:	N[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6](N[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	C[6](N[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6]HH)(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[6a]C[6]H)(H)2{2|C<3>,3|C<4>,5|H<1>}	108.4340	0.000	1	108.4340	0.000	1	108.4340	0.000	1	108.4340	0.000	1	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:3:4:1:	4:4:4:1:	4:3:4:1:	N[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6](N[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](N[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)(H){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]CH)(H){3|C<4>,4|C<3>,4|H<1>}	109.4120	0.000	1	109.4120	0.000	1	109.4120	0.000	1	109.4120	0.000	1	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	3:3:4:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6a]N[6]H)(N[6]C[6]CH)(H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	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[6]C[6]HH)2(CH3)(H){1|C<3>,1|N<3>,3|H<1>}	112.0590	0.000	1	112.0364	0.483	5	112.0364	0.483	5	112.0364	0.483	5	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	3:3:4:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6a]N[6]H)(N[6]C[6]CH)(H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	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[6]C[6]HH)2(CH3)(H){1|C<3>,1|N<3>,3|H<1>}	111.7297	0.650	3	112.0364	0.483	5	112.0364	0.483	5	112.0364	0.483	5	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	3:3:4:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6a]N[6]H)(N[6]C[6]CH)(H)2	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	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[6]HH)2(CH3)(H){1|C<3>,1|N<3>,3|H<1>}	112.9340	0.000	1	112.0364	0.483	5	112.0364	0.483	5	112.0364	0.483	5	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	3:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>,2|O<2>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	111.5597	0.236	3	111.5597	0.056	3	111.2595	0.343	11	110.4776	0.764	272	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	3:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,3|C<3>}	111.8430	0.000	1	111.8430	0.000	1	111.2595	0.343	11	110.4776	0.764	272	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	3:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	110.8760	0.000	1	110.8760	0.000	1	111.2595	0.343	11	110.4776	0.764	272	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	3:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6]O[5a])(C[6]N[6]HH)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	111.0220	0.000	1	111.0220	0.000	1	111.2595	0.343	11	110.4776	0.764	272	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	3:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	111.2660	0.756	4	111.2660	0.571	4	111.2595	0.343	11	110.4776	0.764	272	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	3:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2{1|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	110.3700	0.000	1	110.3700	0.000	1	111.2595	0.343	11	110.4776	0.764	272	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	3:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(H)2{1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	110.2925	0.421	2	110.2925	0.177	2	109.9772	0.747	4	110.4776	0.764	272	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	3:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	109.6620	1.291	2	109.6620	1.667	2	109.9772	0.747	4	110.4776	0.764	272	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	3:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<3>,4|H<1>}	111.0110	1.789	2	110.9498	0.913	5	110.9498	0.913	5	110.4776	0.764	272	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	3:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<3>,3|H<1>}	110.9090	0.469	3	110.9498	0.913	5	110.9498	0.913	5	110.4776	0.764	272	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	3:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	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[6]C[6]HH)2(H)2{1|N<3>,4|H<1>}	110.9965	1.667	2	110.9965	2.778	2	110.4420	0.752	252	110.4776	0.764	272	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	3:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	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[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,4|H<1>}	111.4127	2.351	3	111.4127	5.526	3	110.4420	0.752	252	110.4776	0.764	272	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	3:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	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[6]C[6]HH)2(H)2{1|N<3>,4|H<1>}	109.8897	0.628	6	110.4257	0.696	247	110.4420	0.752	252	110.4776	0.764	272	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	3:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	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[6]C[6]HH)2(H)2{1|N<3>,4|H<1>}	110.4505	0.853	217	110.4257	0.696	247	110.4420	0.752	252	110.4776	0.764	272	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	3:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	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[6]C[6]HH)2(H)2{1|N<3>,4|H<1>}	110.3358	0.667	24	110.4257	0.696	247	110.4420	0.752	252	110.4776	0.764	272	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	3:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[5a,6]HH)(N[6]C[6]CH)(H)2	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]HH)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|S<2>,2|H<1>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[6a]HH)(H){2|C<3>,2|H<1>}	111.6330	0.000	1	111.6330	0.000	1	112.0435	0.337	2	110.9115	0.828	141	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	3:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[5a,6]HH)(N[6]C[6]CH)(H)2	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[5a]HH)(H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CC[5a]HH)(H){1|C<3>,1|N<3>,2|H<1>}	112.4540	0.000	1	112.4540	0.000	1	112.0435	0.337	2	110.9115	0.828	141	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	3:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]2)(C[6]N[6]HH)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	109.1700	0.000	1	109.1700	0.000	1	109.1700	0.000	1	110.9115	0.828	141	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	3:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6,6a]HH)(N[6]C[6,6]CH)(H)2	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[6]HH)(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]C[6,6a]HH)(N[6]C[6,6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CH3)(H){3|C<3>,4|H<1>}	111.0730	0.000	1	111.0730	0.000	1	111.0730	0.000	1	110.9115	0.828	141	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	3:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[5]-4:C[6]-4:H-1:	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6]H)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(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]C[6,6a]HH)(N[6]C[5]C[6]H)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[5]C[5]2H)(C[6]C[6]HH)(H){4|H<1>,5|C<3>}	109.9200	0.000	1	109.9200	0.000	1	109.9200	0.000	1	110.9115	0.828	141	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	3:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6,6a]HH)(N[6]C[6]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH)(H){2|C<3>,2|H<1>}	112.1440	0.000	1	112.1440	0.000	1	112.1440	0.000	1	110.9115	0.828	141	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	3:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-3:C[6]-4:Br-1:H-1:	C[6]-4:C[6]-4:S-4:H-1:	C[6](C[6]C[6]BrH)(N[6]C[6]HS)(H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(Br)(H)	N[6](C[6]C[6]HH)2(SC[6a]OO)(H)	C[6](C[6]C[6]BrH)(N[6]C[6]HS)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(Br)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6]HH)2(SC[6a]OO)(H){1|Br<1>,1|C<3>,2|H<1>}	111.9090	0.000	1	111.9090	0.000	1	111.9090	0.000	1	110.9115	0.828	141	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	3:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:H-1:H-1:	B[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]N[5,6]HH)(N[6]B[6]CH)(H)2	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2	N[6](B[6]C[5,6]HH)(C[6]C[6]HH)(CC3)(H)	C[6](C[6]N[5,6]HH)(N[6]B[6]CH)(H)2{2|C<3>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[6](B[6]C[5,6]HH)(C[6]C[6]HH)(CC3)(H){2|H<1>,2|N<3>}	111.3370	0.000	1	111.3370	0.000	1	111.3370	0.000	1	110.9115	0.828	141	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	3:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	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(CCHH)(H){1|N<3>,4|H<1>}	110.4670	0.197	2	110.4670	0.039	2	110.8938	0.804	133	110.9115	0.828	141	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	3:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	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(CH3)(H){1|N<3>,4|H<1>}	109.7345	0.202	2	110.1107	0.378	6	110.8938	0.804	133	110.9115	0.828	141	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	3:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	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[6]C[6]HH)2(CH3)(H){1|N<3>,4|H<1>}	110.2987	0.689	4	110.1107	0.378	6	110.8938	0.804	133	110.9115	0.828	141	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	3:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CC[6]HH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	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[6]C[6]HH)2(CC[6]HH)(H){1|N<3>,4|H<1>}	111.6600	0.806	2	111.6600	0.650	2	110.8938	0.804	133	110.9115	0.828	141	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	3:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	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[6]C[6]HH)2(CH3)(H){1|N<3>,4|H<1>}	109.5390	0.493	6	109.5390	0.243	6	110.8938	0.804	133	110.9115	0.828	141	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	3:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCCH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	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[6]C[6]HH)2(CCCH)(H){1|N<3>,4|H<1>}	109.8210	0.427	2	109.8210	0.182	2	110.8938	0.804	133	110.9115	0.828	141	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	3:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	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[6]C[6]HH)2(CCHH)(H){1|N<3>,4|H<1>}	110.8914	0.523	10	111.1820	0.572	76	110.8938	0.804	133	110.9115	0.828	141	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	3:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	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[6]C[6]HH)2(CCHH)(H){1|N<3>,4|H<1>}	111.2260	0.779	66	111.1820	0.572	76	110.8938	0.804	133	110.9115	0.828	141	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	3:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CC[6a]2H)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	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[6]C[6]HH)2(CC[6a]2H)(H){1|N<3>,4|H<1>}	110.7115	1.063	2	110.7115	1.130	2	110.8938	0.804	133	110.9115	0.828	141	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	3:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	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[6]C[6]HH)2(CC[6a]HH)(H){1|N<3>,4|H<1>}	111.9170	0.287	2	111.9170	0.082	2	110.8938	0.804	133	110.9115	0.828	141	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	3:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	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[6]C[6]HH)2(CH3)(H){1|N<3>,4|H<1>}	110.3615	0.610	2	110.6285	0.843	35	110.8938	0.804	133	110.9115	0.828	141	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	3:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	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[6]C[6]HH)2(CH3)(H){1|C<3>,1|N<3>,3|H<1>}	110.1455	0.816	4	110.6285	0.843	35	110.8938	0.804	133	110.9115	0.828	141	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	3:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	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[6]C[6]HH)2(CH3)(H){1|N<3>,4|H<1>}	110.7170	0.962	28	110.6285	0.843	35	110.8938	0.804	133	110.9115	0.828	141	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	3:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	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[6]HH)2(CH3)(H){1|C<3>,1|N<3>,3|H<1>}	110.6190	0.000	1	110.6285	0.843	35	110.8938	0.804	133	110.9115	0.828	141	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	3:4:1:1:	4:4:4:4:	C[6]-4:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]CC)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>}	112.3980	0.096	2	112.3980	0.009	2	112.3980	0.009	2	111.9768	0.180	10	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	3:4:1:1:	4:4:4:4:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2	C[6](N[6]C[6]P[4])(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,1|P<4>,2|H<1>}	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](C[6]C[6]HH)2(CH3)2{1|N<3>,4|H<1>}	111.8715	0.408	8	111.8715	0.167	8	111.8715	0.167	8	111.9768	0.180	10	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	3:4:2:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6,6a]HO)(N[6]C[6]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(OH)(H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC3)(H)	C[6](C[6]C[6,6a]HO)(N[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC3)(H){1|H<1>,1|O<2>,2|C<3>}	110.8640	0.000	1	110.8640	0.000	1	110.1700	0.963	2	110.4387	0.698	3	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	3:4:2:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6,6a]HO)(N[6]C[6]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(OH)(H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6a]HO)(N[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	109.4760	0.000	1	109.4760	0.000	1	110.1700	0.963	2	110.4387	0.698	3	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	3:4:2:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6a]O[6]H)(N[6]C[6]CH)(H)2	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H)	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H){1|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<3>,1|O<2>,3|H<1>}	110.9760	0.000	1	110.9760	0.000	1	110.9760	0.000	1	110.4387	0.698	3	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	3:4:2:2:	4:4:4:4:	C[6]-4:N[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:O[6]-2:O-2:	C[6]-4:C[6]-4:C-4:C-4:	C[6](C[6]C[6a]O[6]O)(N[6]C[6]CC)(H)2	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(OH)	N[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6a]O[6]O)(N[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(OH){2|C<3>,3|H<1>,4|C<4>}	N[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	114.6750	1.080	2	114.6750	1.167	2	114.6750	1.167	2	114.6750	1.167	2	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	3:4:3:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6a]N[6]H)(N[6]C[6]CH)(H)2	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]2)(H)	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	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[6]HH)2(CH3)(H){1|C<3>,1|N<3>,3|H<1>}	109.9550	0.000	1	109.9550	0.000	1	109.9550	0.000	1	108.3640	5.063	2	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	3:4:3:1:	4:4:4:1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6](N[6]C[6,6]CH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CNO)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](N[6]C[6,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(CNO)(H){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){3|H<1>,4|C<3>}	106.7730	0.000	1	106.7730	0.000	1	106.7730	0.000	1	108.3640	5.063	2	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	3:4:4:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]HH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]HH)(H)	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6a]C[6]H)(N[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	110.9340	0.000	1	110.9340	0.000	1	110.9340	0.000	1	110.9340	0.000	1	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	3:4:4:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[5a]C[6]H)(N[6]C[6]CH)(H)2	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HO)(C[6]N[6]HH)(H)	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[5a]C[6]H)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HO)(C[6]N[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	113.4080	0.000	1	113.4080	0.000	1	113.4080	0.000	1	112.3700	1.204	3	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	3:4:4:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]CH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]HH)(H)	N[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]CH)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]HH)(H){1|F<1>,2|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CC3)(H){1|C<3>,1|C<4>,3|H<1>}	111.2220	0.000	1	111.2220	0.000	1	111.8510	0.791	2	112.3700	1.204	3	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	3:4:4:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]CH)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH)(H)	N[6](C[6]C[6]HH)2(CC[6a]CH)(H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]CH)(H){1|C<3>,1|C<4>,3|H<1>}	112.4800	0.000	1	112.4800	0.000	1	111.8510	0.791	2	112.3700	1.204	3	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:2:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6])(H)2	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6])(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|N<2>,4|H<1>}	109.3600	0.503	2	109.3600	0.253	2	109.3600	0.253	2	109.5447	0.803	266	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:2:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]O[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]O[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|O<2>,4|H<1>}	109.4406	0.794	250	109.4406	0.631	250	109.4406	0.631	250	109.5447	0.803	266	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:2:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]S[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(S[6]C[6])(H)2	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]S[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(S[6]C[6])(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|S<2>,4|H<1>}	111.4289	0.495	14	111.4289	0.245	14	111.4289	0.245	14	109.5447	0.803	266	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:2:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<3>,1|O<2>,3|H<1>}	110.1910	0.000	1	109.9960	0.820	59	110.0995	0.999	127	110.0911	0.917	145	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:2:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CCHH)(H){1|O<2>,4|H<1>}	109.9926	0.913	58	109.9960	0.820	59	110.0995	0.999	127	110.0911	0.917	145	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:2:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	N[6](C[6]C[6]HH)2(CC[5]HH)(H)	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CC[5]HH)(H){1|O<2>,4|H<1>}	109.5165	0.612	4	109.5165	0.375	4	110.0995	0.999	127	110.0911	0.917	145	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:2:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	N[6](C[6]C[6]HH)2(CC[5a]HH)(H)	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CC[5a]HH)(H){1|O<2>,4|H<1>}	110.4420	1.906	14	110.4420	3.634	14	110.0995	0.999	127	110.0911	0.917	145	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:2:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|O<2>,4|H<1>}	110.2101	0.812	36	110.2101	0.659	36	110.0995	0.999	127	110.0911	0.917	145	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:2:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CH3)(H){1|O<2>,4|H<1>}	110.1611	0.442	12	110.1611	0.195	12	110.0995	0.999	127	110.0911	0.917	145	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:2:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	N[6](C[6]C[6]HH)2(CHHP)(H)	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CHHP)(H){1|O<2>,4|H<1>}	109.5605	0.078	2	109.5605	0.006	2	110.0995	0.999	127	110.0911	0.917	145	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:2:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-1:	C[6](C[6]O[6]HH)(N[6]C[6]CO)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	N[6](C[6]C[6]HH)2(CH3)(O)	C[6](C[6]O[6]HH)(N[6]C[6]CO)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|O<1>,2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CH3)(O){1|O<2>,4|H<1>}	109.8625	0.532	4	109.8625	0.283	4	109.8625	0.283	4	110.0911	0.917	145	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:2:1:1:	4:4:4:1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[3,6]-4:C[6]-4:C[6]-4:H-1:	C[6](N[6]C[3,6]C[6]H)(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	N[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]HH)2(H)	C[6](N[6]C[3,6]C[6]H)(C[6]O[6]HH)(H)2{2|H<1>,4|C<4>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	N[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]HH)2(H){1|O<2>,2|C<4>,2|F<1>,7|H<1>}	110.3020	0.020	2	110.3020	0.000	2	110.0855	0.067	4	110.0911	0.917	145	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:2:1:1:	4:4:4:1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[3,6]-4:C[6]-4:C[6]-4:H-1:	C[6](N[6]C[3,6]C[6]H)(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	N[6](C[3,6]C[6,6a]C[3,6]C[3])(C[6]C[6]HH)2(H)	C[6](N[6]C[3,6]C[6]H)(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	N[6](C[3,6]C[6,6a]C[3,6]C[3])(C[6]C[6]HH)2(H){1|C<4>,1|O<2>,2|C<3>,2|F<1>,5|H<1>}	109.8690	0.110	2	109.8690	0.012	2	110.0855	0.067	4	110.0911	0.917	145	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:2:1:1:	4:4:4:1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[6](N[6]C[3]C[6]H)(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	N[6](C[3]C[3]2C)(C[6]C[6]HH)2(H)	C[6](N[6]C[3]C[6]H)(C[6]O[6]HH)(H)2{2|H<1>,4|C<4>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	N[6](C[3]C[3]2C)(C[6]C[6]HH)2(H){1|C<4>,1|O<2>,2|F<1>,5|H<1>}	109.6532	0.722	4	109.6532	0.521	4	109.6532	0.521	4	110.0911	0.917	145	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:2:1:1:	4:4:4:1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6](N[6]C[5]C[6]H)(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	N[6](C[5]B[5,6a]C[5,6a]H)(C[6]C[6]HH)2(H)	C[6](N[6]C[5]C[6]H)(C[6]O[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	N[6](C[5]B[5,6a]C[5,6a]H)(C[6]C[6]HH)2(H){2|C<3>,4|H<1>,4|O<2>}	110.2180	0.608	2	110.2180	0.370	2	110.2315	0.594	4	110.0911	0.917	145	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:2:1:1:	4:4:4:1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6](N[6]C[5]C[6]H)(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	N[6](C[5]C[5]2C)(C[6]C[6]HH)2(H)	C[6](N[6]C[5]C[6]H)(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	N[6](C[5]C[5]2C)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,3|C<3>,5|H<1>}	110.2450	1.188	2	110.2450	1.411	2	110.2315	0.594	4	110.0911	0.917	145	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:2:1:1:	4:4:4:1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	C[6](N[6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)2(H)	C[6](N[6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2{3|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)2(H){2|C<4>,2|O<2>,7|H<1>}	110.6225	0.432	2	110.6225	0.187	2	110.6225	0.187	2	110.0911	0.917	145	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:2:1:1:	4:4:4:2:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:N-2:	C[6](C[6]O[6]HH)(N[6]C[6]CN)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	N[6](C[6]C[6]HH)2(CCHH)(NS)	C[6](C[6]O[6]HH)(N[6]C[6]CN)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|N<2>,2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CCHH)(NS){1|O<2>,4|H<1>}	111.1437	0.434	3	111.1437	0.189	3	111.1437	0.189	3	110.8228	0.348	5	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:2:1:1:	4:4:4:2:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6](C[6]O[6]HH)(N[6]C[6]CO)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	N[6](C[6]C[6]HH)2(CH3)(OP)	C[6](C[6]O[6]HH)(N[6]C[6]CO)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CH3)(OP){1|O<2>,4|H<1>}	110.3415	0.493	2	110.3415	0.243	2	110.3415	0.243	2	110.8228	0.348	5	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:2:1:1:	4:4:4:4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	N[6](C[6]C[6]HH)2(CCHH)(CH3)	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2{1|C<3>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|N<1>,3|C<4>}	N[6](C[6]C[6]HH)2(CCHH)(CH3){1|N<1>,1|O<2>,2|H<1>}	111.0090	0.000	1	111.6039	0.260	19	111.7725	0.248	35	111.8045	0.254	37	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:2:1:1:	4:4:4:4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	N[6](C[6]C[6]HH)2(CCHH)(CH3)	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|H<1>,3|C<4>}	N[6](C[6]C[6]HH)2(CCHH)(CH3){1|O<2>,4|H<1>}	111.6370	0.503	18	111.6039	0.260	19	111.7725	0.248	35	111.8045	0.254	37	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:2:1:1:	4:4:4:4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	N[6](C[6]C[6]HH)2(CCHH)2	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|H<1>,3|C<4>}	N[6](C[6]C[6]HH)2(CCHH)2{1|O<2>,4|H<1>}	112.4043	0.089	4	112.4043	0.008	4	111.7725	0.248	35	111.8045	0.254	37	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:2:1:1:	4:4:4:4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(CCHH)	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|H<1>,3|C<4>}	N[6](C[6]C[6]HH)2(CC[6a]HH)(CCHH){1|O<2>,4|H<1>}	112.1112	0.302	6	112.1112	0.091	6	111.7725	0.248	35	111.8045	0.254	37	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:2:1:1:	4:4:4:4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(CH3)	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|H<1>,3|C<4>}	N[6](C[6]C[6]HH)2(CC[6a]HH)(CH3){1|O<2>,4|H<1>}	111.6555	0.187	2	111.6555	0.035	2	111.7725	0.248	35	111.8045	0.254	37	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:2:1:1:	4:4:4:4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	N[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|H<1>,3|C<4>}	N[6](C[6]C[6]HH)2(CH3)2{1|O<2>,4|H<1>}	111.4922	0.157	4	111.4922	0.025	4	111.7725	0.248	35	111.8045	0.254	37	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:2:1:1:	4:4:4:4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:Si-4:B-4:	C[6](N[6]C[6]SiB)(C[6]O[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	N[6](C[6]C[6]HH)2(SiC3)(BH3)	C[6](N[6]C[6]SiB)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Si<4>,1|B<4>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(SiC3)(BH3){1|O<2>,4|H<1>}	112.3635	0.251	2	112.3635	0.063	2	112.3635	0.063	2	111.8045	0.254	37	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:2:4:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]O[6]CH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(CCHH)(H)	N[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]O[6]CH)(N[6]C[6]HH)(H)2{3|C<4>}	C[6](C[6]N[6]HH)(O[6]C[6])(CCHH)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	109.3510	0.000	1	109.3510	0.000	1	109.3510	0.000	1	109.3510	0.000	1	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:2:4:1:	4:4:4:4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:O[6]-2:C-4:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6](C[6]O[6]CH)(N[6]C[6]CC)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H)	N[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]O[6]CH)(N[6]C[6]CC)(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6])(CH3)(H){1|C<3>,1|O<2>,3|C<4>}	N[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	111.6690	0.148	2	111.6690	0.022	2	111.6690	0.022	2	111.6690	0.022	2	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:3:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	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]HH)2(H)2{1|N<3>,4|H<1>}	111.0190	0.709	2	110.3332	0.841	8	110.2365	0.769	115	110.2315	0.765	116	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:3:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	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]HH)2(H)2{1|N<3>,4|H<1>}	109.4710	0.894	2	110.3332	0.841	8	110.2365	0.769	115	110.2315	0.765	116	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:3:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	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(H)2{1|N<3>,4|H<1>}	109.7955	0.718	2	110.3332	0.841	8	110.2365	0.769	115	110.2315	0.765	116	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:3:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	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(H)2{1|N<3>,4|H<1>}	111.0475	0.217	2	110.3332	0.841	8	110.2365	0.769	115	110.2315	0.765	116	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:3:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	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)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	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]CH)(C[6]C[6]HH)(H)2{1|N<3>,4|H<1>}	109.4270	0.000	1	109.4270	0.000	1	110.2365	0.769	115	110.2315	0.765	116	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:3:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	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(H)2{1|N<3>,4|H<1>}	109.9141	0.657	20	110.2317	0.641	66	110.2365	0.769	115	110.2315	0.765	116	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:3:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	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(H)2{1|N<3>,4|H<1>}	110.3698	0.824	46	110.2317	0.641	66	110.2365	0.769	115	110.2315	0.765	116	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:3:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	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)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	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]CH)(C[6]C[6]HH)(H)2{1|N<3>,4|H<1>}	109.2800	0.000	1	109.2800	0.000	1	110.2365	0.769	115	110.2315	0.765	116	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:3:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	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)2{1|N<3>,4|H<1>}	110.2182	0.961	33	110.3005	1.126	34	110.2365	0.769	115	110.2315	0.765	116	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:3:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	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]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	113.0180	0.000	1	110.3005	1.126	34	110.2365	0.769	115	110.2315	0.765	116	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:3:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	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)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|H<1>,1|S<4>,2|C<4>}	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)(H)2{1|C<4>,1|N<3>,3|H<1>}	109.8490	0.000	1	109.8490	0.000	1	110.2365	0.769	115	110.2315	0.765	116	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:3:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	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(H)2{1|N<3>,4|H<1>}	110.1940	0.679	3	110.1940	0.461	3	110.2365	0.769	115	110.2315	0.765	116	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:3:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]Zn)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Zn<4>,1|H<1>,2|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]Zn)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,4|H<1>}	109.8810	0.000	1	109.8810	0.000	1	110.2365	0.769	115	110.2315	0.765	116	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:3:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:O[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]O[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6]In)(H)2	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]O[6]HH)(N[6]C[6]HH)(H)2{1|In<6>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6]In)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|O<3>,4|H<1>}	109.6530	0.000	1	109.6530	0.000	1	109.6530	0.000	1	110.2315	0.765	116	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:3:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CH3)(H){1|C<3>,4|H<1>}	111.3390	0.370	4	111.3390	0.137	4	111.3390	0.137	4	110.7308	0.562	107	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:3:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	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[6]HH)2(CH3)(H){1|C<3>,1|N<3>,3|H<1>}	110.7720	0.000	1	110.7720	0.000	1	110.6529	0.484	99	110.7308	0.562	107	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:3:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	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]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	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)2(CCHH)(H){1|N<3>,1|O<1>,2|H<1>}	111.1380	0.000	1	110.6218	0.272	32	110.6529	0.484	99	110.7308	0.562	107	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:3:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	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]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	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)(H){1|N<3>,4|H<1>}	110.8330	0.042	2	110.6218	0.272	32	110.6529	0.484	99	110.7308	0.562	107	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:3:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	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]HH)(N[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	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)(H){1|N<3>,4|H<1>}	110.5895	0.536	29	110.6218	0.272	32	110.6529	0.484	99	110.7308	0.562	107	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:3:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	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]HH)(N[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	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[5]HH)(H){1|N<3>,4|H<1>}	109.3450	0.252	2	109.3450	0.063	2	110.6529	0.484	99	110.7308	0.562	107	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:3:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	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]HH)(N[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	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)(H){1|N<3>,4|H<1>}	110.4405	0.774	8	110.4405	0.599	8	110.6529	0.484	99	110.7308	0.562	107	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:3:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	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]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	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)(H){1|N<3>,4|H<1>}	110.8056	0.789	34	110.7514	0.604	48	110.6529	0.484	99	110.7308	0.562	107	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:3:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	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]HH)(N[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	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)(H){1|N<3>,4|H<1>}	110.6197	0.760	14	110.7514	0.604	48	110.6529	0.484	99	110.7308	0.562	107	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:3:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,1|N<3>,2|H<1>}	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(CC[6a]HH)(H){1|N<3>,4|H<1>}	110.8150	0.762	2	110.8150	0.581	2	110.6529	0.484	99	110.7308	0.562	107	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:3:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,1|N<2>,2|H<1>}	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(CH3)(H){1|N<3>,4|H<1>}	110.7085	0.567	4	110.6755	0.277	6	110.6529	0.484	99	110.7308	0.562	107	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:3:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,1|N<4>,2|H<1>}	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(CH3)(H){1|N<3>,4|H<1>}	110.6095	0.639	2	110.6755	0.277	6	110.6529	0.484	99	110.7308	0.562	107	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:3:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-1:	C[6](C[6]N[6]HH)(N[6]C[6]CO)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CCHH)(O)	C[6](C[6]N[6]HH)(N[6]C[6]CO)(H)2{1|C<3>,1|C<4>,2|H<1>}	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(CCHH)(O){1|N<3>,4|H<1>}	111.4530	1.107	2	111.4530	1.226	2	111.4530	1.226	2	110.7308	0.562	107	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:3:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]2H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]N[6]HH)(N[6]C[6]2H)(H)2{3|H<1>,4|C<4>}	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]2H)(C[6]C[6]HH)2(H){1|N<3>,2|C<4>,8|H<1>}	112.6470	0.103	2	112.6470	0.011	2	112.6470	0.011	2	110.7308	0.562	107	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:3:1:1:	4:4:4:2:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:N-2:	C[6](C[6]N[6]HH)(N[6]C[6]CN)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3)(NC)	C[6](C[6]N[6]HH)(N[6]C[6]CN)(H)2{1|C<3>,1|C<4>,2|H<1>}	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(CH3)(NC){1|N<3>,4|H<1>}	111.6895	0.238	2	111.6895	0.057	2	111.6895	0.057	2	112.5410	2.204	3	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:3:1:1:	4:4:4:2:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	Ga[6]-4:C[6]-4:C-4:O-2:	C[6](N[6]Ga[6]CO)(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]O[6]C)(H)2	N[6](Ga[6]O[6]CC)(C[6]C[6]HH)(CH3)(OGa)	C[6](N[6]Ga[6]CO)(C[6]N[6]HH)(H)2{1|O<2>,3|C<4>}	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](Ga[6]O[6]CC)(C[6]C[6]HH)(CH3)(OGa){1|N<3>,2|H<1>}	114.2440	0.000	1	114.2440	0.000	1	114.2440	0.000	1	112.5410	2.204	3	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:3:1:1:	4:4:4:4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	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)2{1|N<3>,4|H<1>}	112.4470	0.612	4	112.3394	0.634	10	112.2536	0.651	11	112.2536	0.651	11	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:3:1:1:	4:4:4:4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	N[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2{2|C<4>,2|H<1>}	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)2{1|N<3>,4|H<1>}	112.2677	0.949	6	112.3394	0.634	10	112.2536	0.651	11	112.2536	0.651	11	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:3:1:1:	4:4:4:4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	N[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2{1|C<3>,3|H<1>}	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)2(CH3)2{1|N<3>,1|O<1>,2|H<1>}	111.3960	0.000	1	111.3960	0.000	1	112.2536	0.651	11	112.2536	0.651	11	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:3:4:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(CH3)(H)	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	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]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	112.0820	0.000	1	112.0820	0.000	1	112.0820	0.000	1	112.0820	0.000	1	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:3:4:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2	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)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2{1|H<1>,3|C<4>}	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)(CH3)(H){1|C<4>,1|N<3>,3|H<1>}	113.8870	0.000	1	113.8870	0.000	1	113.8870	0.000	1	113.8870	0.000	1	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	10:4:1:1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	Nb[5x3,4,6]-10:C[6]-4:H-1:H-1:	C[6](N[6]Nb[5x3,4,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]N[4,6]HH)(C[6]N[6]HH)(H)2	N[6](Nb[5x3,4,6]C[3,3,4,5]C[3,3,5]4N[4,6]Cl3)(C[6]C[6]HH)(H)2	C[6](N[6]Nb[5x3,4,6]HH)(C[6]C[6]HH)(H)2{3|Cl<1>,1|N<3>,2|H<1>,5|C<4>}	C[6](C[6]N[4,6]HH)(C[6]N[6]HH)(H)2{1|Nb<10>,1|Si<4>,2|H<1>}	N[6](Nb[5x3,4,6]C[3,3,4,5]C[3,3,5]4N[4,6]Cl3)(C[6]C[6]HH)(H)2{1|Si<4>,1|C<4>,6|H<1>}	109.1850	0.000	1	109.1850	0.000	1	109.1850	0.000	1	109.1850	0.000	1	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	3:4:1:1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6](N[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6](N[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]N[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)2{1|C<4>,2|C<3>,3|H<1>}	110.6570	0.451	2	110.6570	0.204	2	110.6570	0.204	2	110.6570	0.204	2	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	3:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-3:C[6]-4:C-4:H-1:	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(H)2{1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	112.0690	0.141	2	112.0690	0.020	2	112.0690	0.020	2	110.4419	0.607	28	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	3:4:4:1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6](N[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H)	C[6](N[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	110.6330	0.718	2	110.6330	0.516	2	110.0072	0.620	6	110.4419	0.607	28	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	3:4:4:1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6](N[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](N[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|B<4>,1|C<4>,2|C<3>,5|H<1>}	109.6942	0.685	4	109.6942	0.470	4	110.0072	0.620	6	110.4419	0.607	28	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	3:4:4:1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6](N[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](N[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|N<4>,1|O<2>,2|C<3>,5|H<1>}	110.2120	0.728	2	110.2120	0.530	2	110.3207	0.314	18	110.4419	0.607	28	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	3:4:4:1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6](N[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](N[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	110.4448	0.710	6	110.3343	0.319	16	110.3207	0.314	18	110.4419	0.607	28	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	3:4:4:1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6](N[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6](N[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|N<4>,2|C<3>,6|H<1>}	110.2680	0.488	10	110.3343	0.319	16	110.3207	0.314	18	110.4419	0.607	28	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	3:4:4:1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:O-1:	C[6](N[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CO)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(O)	C[6](N[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CO)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)2(O){1|N<4>,2|C<3>,6|H<1>}	111.2100	0.247	2	111.2100	0.061	2	111.2100	0.061	2	110.4419	0.607	28	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	3:4:4:4:	C[6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6](C[6]C[6,6]HH)(N[6]C[6,6]CC)(H)2	C[6](C[6,6]N[3x6]C[6]H)(C[6]N[6]HH)(H)2	N[6](C[6,6]N[3x6]C[6])(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6,6]HH)(N[6]C[6,6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6,6]N[3x6]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	N[6](C[6,6]N[3x6]C[6])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	109.6680	0.140	2	109.6680	0.020	2	109.6680	0.020	2	109.9333	0.155	4	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	3:4:4:4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6](N[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(CH3)2	C[6](N[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>}	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	110.4860	0.000	1	110.4860	0.000	1	110.1985	0.165	2	109.9333	0.155	4	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	3:4:4:4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6](N[6]C[6,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CH3)2	C[6](N[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,2|H<1>}	109.9110	0.000	1	109.9110	0.000	1	110.1985	0.165	2	109.9333	0.155	4	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:3:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|N<4>,4|H<1>}	110.9220	0.000	1	110.9220	0.000	1	110.9220	0.000	1	110.9220	0.000	1	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[5,6]HH)(N[6]C[6]HH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2{3|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	110.8180	0.427	2	110.8180	0.182	2	110.8180	0.182	2	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6,6]HH)(N[6]C[6]HH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	110.9830	0.000	1	110.9830	0.000	1	110.9830	0.000	1	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:F-1:F-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]FF)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(F)2	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]FF)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(F)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<4>,2|F<1>,2|H<1>}	109.6410	5.703	6	109.6410	32.527	6	109.6410	32.527	6	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:F-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]FH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(F)(H)	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]FH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(F)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<4>,1|F<1>,3|H<1>}	111.5700	0.000	1	111.5700	0.000	1	111.5700	0.000	1	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]B[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	N[6](B[6]C[6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]B[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|B<4>,4|H<1>}	N[6](B[6]C[6]HH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	110.5810	0.000	1	110.5810	0.000	1	110.5810	0.000	1	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	110.6550	0.481	2	110.6550	0.231	2	110.5077	2.709	377	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	110.6160	0.307	2	110.6160	0.094	2	110.5077	2.709	377	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]2H)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]N[6]HH)(H)2{3|C<4>,5|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	110.6267	0.572	34	110.6267	0.328	34	110.5077	2.709	377	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	110.4590	0.657	64	110.7002	4.953	134	110.5077	2.709	377	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	109.6900	0.000	1	110.7002	4.953	134	110.5077	2.709	377	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	110.9386	3.027	69	110.7002	4.953	134	110.5077	2.709	377	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]FF)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,2|F<1>,2|H<1>}	C[6](C[6]C[6]FF)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	110.2422	0.761	6	110.2422	0.580	6	110.5077	2.709	377	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]FH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,1|F<1>,3|H<1>}	C[6](C[6]C[6]FH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	109.7780	0.000	1	109.7780	0.000	1	110.5077	2.709	377	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	N[6](C[6]C[5a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[5a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	110.9860	0.000	1	110.9860	0.000	1	110.5077	2.709	377	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]2C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	109.8450	0.000	1	109.8450	0.000	1	110.5077	2.709	377	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	110.2635	0.144	2	110.2635	0.021	2	110.5077	2.709	377	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<2>,3|H<1>}	N[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,3|H<1>}	109.5540	0.000	1	109.5540	0.000	1	110.5077	2.709	377	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	109.7360	0.707	2	110.1904	0.322	19	110.5077	2.709	377	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	110.2588	0.564	16	110.1904	0.322	19	110.5077	2.709	377	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	110.0050	0.000	1	110.1904	0.322	19	110.5077	2.709	377	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,3|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>}	110.4990	0.000	1	110.4990	0.000	1	110.5077	2.709	377	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|N<4>,2|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,2|H<1>}	109.8270	0.000	1	110.4488	2.270	135	110.5077	2.709	377	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	109.9767	0.534	6	110.4488	2.270	135	110.5077	2.709	377	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|F<1>,3|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<4>,1|F<1>,3|H<1>}	109.7910	0.000	1	110.4488	2.270	135	110.5077	2.709	377	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	109.6983	0.988	3	110.4488	2.270	135	110.5077	2.709	377	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|F<1>,2|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<4>,2|F<1>,2|H<1>}	112.9842	3.950	6	110.4488	2.270	135	110.5077	2.709	377	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	110.2804	0.606	108	110.4488	2.270	135	110.5077	2.709	377	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	111.3820	3.791	10	110.4488	2.270	135	110.5077	2.709	377	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	109.0390	0.000	1	109.2900	0.126	2	110.5077	2.709	377	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	109.5410	0.000	1	109.2900	0.126	2	110.5077	2.709	377	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	111.1400	0.000	1	111.1400	0.000	1	110.5077	2.709	377	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	110.3715	0.016	2	110.3715	0.000	2	110.5077	2.709	377	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	110.2577	0.838	12	110.2577	0.703	12	110.5077	2.709	377	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]C)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	110.5810	1.872	2	110.5810	3.506	2	110.5077	2.709	377	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	109.9430	0.642	9	109.9430	0.412	9	110.5077	2.709	377	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	110.2660	0.556	10	110.2660	0.309	10	110.5077	2.709	377	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]2H)(H)2	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]2H)(H)2{3|C<4>,5|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	109.7795	0.442	2	109.7795	0.195	2	110.4912	2.276	1011	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	110.7420	0.000	1	110.7420	0.000	1	110.4912	2.276	1011	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	110.9711	1.885	83	110.9711	3.552	83	110.4912	2.276	1011	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	110.5468	0.913	36	110.5468	0.834	36	110.4912	2.276	1011	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,1|P<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,1|P<4>,3|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>}	109.8158	0.920	6	109.8158	0.847	6	110.4912	2.276	1011	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|N<4>,3|H<1>}	110.3560	0.000	1	110.4558	2.212	879	110.4912	2.276	1011	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	110.4709	1.505	842	110.4558	2.212	879	110.4912	2.276	1011	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	110.1068	0.955	36	110.4558	2.212	879	110.4912	2.276	1011	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(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)(H)2{1|C<4>,1|N<2>,1|N<4>,2|C<3>,2|H<1>}	108.9175	0.056	2	108.9175	0.003	2	110.4912	2.276	1011	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(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)2{1|N<4>,3|C<3>,3|H<1>}	109.3080	0.385	2	109.3080	0.148	2	110.4912	2.276	1011	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:O[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]O[6]HH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]O[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(O[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|O<4>,4|H<1>}	108.6467	1.623	3	108.6467	2.636	3	108.6467	2.636	3	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](N[6]C[6]CdC)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Cd<5>,2|C<4>,2|H<1>}	C[6](N[6]C[6]CdC)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	110.7065	0.040	2	110.7065	0.002	2	110.3768	0.642	49	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](N[6]C[6]CoC)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Co<5>,2|C<4>,2|H<1>}	C[6](N[6]C[6]CoC)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	109.7362	0.165	4	109.7362	0.027	4	110.3768	0.642	49	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](N[6]C[6]CoH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Co<4>,2|C<4>,2|H<1>}	C[6](N[6]C[6]CoH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	109.9280	0.000	1	109.9280	0.000	1	110.3768	0.642	49	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](N[6]C[6]CoH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Co<6>,1|C<4>,3|H<1>}	C[6](N[6]C[6]CoH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	110.0305	0.804	2	110.4537	0.860	3	110.3768	0.642	49	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](N[6]C[6]CoH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Co<6>,1|C<4>,3|H<1>}	C[6](N[6]C[6]CoH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	111.3000	0.000	1	110.4537	0.860	3	110.3768	0.642	49	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](N[6]C[6]CuC)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Cu<5>,2|C<4>,2|H<1>}	C[6](N[6]C[6]CuC)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	111.0045	0.727	4	111.0045	0.528	4	110.3768	0.642	49	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](N[6]C[6]NiC)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Ni<6>,2|C<4>,2|H<1>}	C[6](N[6]C[6]NiC)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	110.3511	1.024	16	110.3511	1.048	16	110.3768	0.642	49	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](N[6]C[6]NiH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Ni<6>,1|C<4>,3|H<1>}	C[6](N[6]C[6]NiH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	109.0125	0.030	2	109.0125	0.001	2	110.3768	0.642	49	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](N[6]C[6]ZnH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Zn<4>,1|C<4>,3|H<1>}	C[6](N[6]C[6]ZnH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	110.2860	0.000	1	110.2860	0.000	1	110.3768	0.642	49	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	C[6](N[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](N[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	110.5542	0.504	16	110.5542	0.254	16	110.3768	0.642	49	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]Si[6]HH)(N[6]C[6]HH)(H)2	C[6](Si[6]C[6a]2C[6])(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]Si[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](Si[6]C[6a]2C[6])(C[6]N[6]HH)(H)2{1|C<4>,4|C<3>,4|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|Si<4>,4|H<1>}	112.4565	0.356	2	112.4565	0.127	2	112.4565	0.127	2	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6](N[6]C[3x6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2	N[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[6](N[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	N[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	109.3700	0.000	1	109.3700	0.000	1	109.3700	0.000	1	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6](N[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	N[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[6](N[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	110.0690	0.000	1	110.0690	0.000	1	110.1442	0.170	8	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6](N[6]C[5,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[6](N[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[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)(H)2{1|N<3>,2|C<4>,5|H<1>}	110.1550	0.444	7	110.1550	0.197	7	110.1442	0.170	8	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6](N[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	C[6](N[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	N[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	110.0840	0.000	1	110.0840	0.000	1	110.1560	0.238	3	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:1:1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6](N[6]C[6,6]HH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	C[6](N[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[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)(H)2{4|C<4>,4|H<1>}	110.1920	0.684	2	110.1920	0.469	2	110.1560	0.238	3	110.4853	2.422	1465	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:2:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(OH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6]HH)2(OH)(H){1|C<4>,4|H<1>}	109.6230	0.018	2	109.6230	0.000	2	109.6230	0.000	2	109.6230	0.000	2	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:3:4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CC[6]H)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6]H)(CCHH){1|C<4>,4|H<1>}	112.0375	1.061	2	112.0375	1.127	2	112.0375	1.127	2	112.0375	1.127	2	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[3,6]HH)(N[6]C[6]CH)(H)2	C[6](C[3,6]C[3,6]O[3]C)(C[6]N[6]HH)(H)2	N[6](C[6]C[3,6]CH)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[3,6]HH)(N[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	N[6](C[6]C[3,6]CH)(C[6]C[6]HH)(CC[6a]HH)(H){1|O<2>,2|C<4>,2|H<1>}	111.8480	0.000	1	111.8480	0.000	1	111.8480	0.000	1	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[3x6]HH)(N[6]C[6,6]CH)(H)2	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[3x6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2{2|C<3>,4|C<4>,4|H<1>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,5|H<1>}	111.0740	0.390	2	110.7177	0.457	3	110.7177	0.457	3	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[3x6]HH)(N[6]C[6,6]CH)(H)2	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[3x6]HH)(N[6]C[6,6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2{3|C<3>,3|C<4>,3|H<1>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,2|C<4>,5|H<1>}	110.0050	0.000	1	110.7177	0.457	3	110.7177	0.457	3	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CH)(H)2	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{2|C<3>,2|H<1>,2|O<2>,4|C<4>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	110.0920	0.000	1	110.0920	0.000	1	110.5767	0.199	13	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CH)(H)2	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(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]C[5,3x6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{2|C<3>,2|H<1>,2|O<2>,4|C<4>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	110.9275	0.028	2	110.4895	0.257	4	110.5767	0.199	13	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CH)(H)2	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(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]C[5,3x6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{2|H<1>,2|O<2>,3|C<3>,3|C<4>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	110.0515	0.050	2	110.4895	0.257	4	110.5767	0.199	13	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CH)(H)2	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{1|O<2>,3|C<3>,3|C<4>,3|H<1>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,5|H<1>}	110.6809	0.424	8	110.6809	0.180	8	110.5767	0.199	13	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:O-1:	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CO)(H)2	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(O)	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CO)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<3>,3|C<4>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	111.2280	0.000	1	111.2280	0.000	1	111.2280	0.000	1	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]CH)(H)2	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(H)	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,5|C<4>}	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(H){1|C<3>,3|C<4>,4|H<1>}	109.1470	0.000	1	109.1470	0.000	1	110.5050	1.673	4	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]CH)(H)2	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,5|C<4>}	N[6](C[6,6]C[5x6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|C<3>,3|C<4>,4|H<1>}	110.9577	1.132	3	110.9577	1.281	3	110.5050	1.673	4	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]CH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[6]N[6]HH)(H)2	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[6]N[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|O<2>,2|C<4>,5|H<1>}	114.1490	0.000	1	114.1490	0.000	1	112.4305	5.906	2	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]CH)(H)2	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6]HH)(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]C[5,6,6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){1|O<2>,2|C<4>,5|H<1>}	110.7120	0.000	1	110.7120	0.000	1	112.4305	5.906	2	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[5,6,6]HH)(N[6]C[6]CH)(H)2	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]N[6]HH)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[5,6,6]HH)(N[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]N[6]HH)(H)2{1|O<2>,3|C<3>,3|C<4>,3|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	110.5160	0.000	1	110.5160	0.000	1	110.5160	0.000	1	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[5,6]HH)(N[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]C[5,6]HH)(N[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(H)2{1|N<4>,2|C<4>,3|C<3>,4|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|C<3>,1|C<4>,3|H<1>}	112.0460	0.000	1	112.0460	0.000	1	112.0460	0.000	1	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6,6]HH)(N[6]C[6,6]CH)(H)2	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]N[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]C[6,6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]N[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){1|C<3>,2|C<4>,5|H<1>}	110.0560	0.000	1	110.0560	0.000	1	110.0560	0.000	1	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(N[6]B[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	N[6](B[6]C[6]HH)(C[6]C[6]HH)(CC3)(H)	C[6](C[6]C[6]HH)(N[6]B[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,3|H<1>}	N[6](B[6]C[6]HH)(C[6]C[6]HH)(CC3)(H){1|C<4>,4|H<1>}	111.7400	0.000	1	111.7400	0.000	1	112.2507	0.258	3	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	B[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(N[6]B[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	N[6](B[6]C[6]OO)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(N[6]B[6]CH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,3|H<1>}	N[6](B[6]C[6]OO)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,4|H<1>}	112.5060	0.352	2	112.5060	0.124	2	112.2507	0.258	3	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:B-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]BH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(BC[6a]3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]BH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(BC[6a]3)(H){1|C<4>,4|H<1>}	110.2865	0.241	8	110.2865	0.058	8	110.9943	1.214	12	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:B-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]BH)(H)2	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(BH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]BH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(BH3)(H){1|C<4>,4|H<1>}	112.4100	0.556	4	112.4100	0.309	4	110.9943	1.214	12	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2{1|Fe<10>,3|H<1>,4|C<4>}	N[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,4|H<1>}	110.8348	0.998	6	110.7137	0.601	10	110.9687	0.833	235	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2{1|Ti<12>,3|H<1>,4|C<4>}	N[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,4|H<1>}	110.5320	0.267	4	110.7137	0.601	10	110.9687	0.833	235	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	110.8665	0.234	2	110.8665	0.055	2	110.9687	0.833	235	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,4|H<1>}	109.9625	0.859	2	109.9625	0.738	2	110.9687	0.833	235	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]2H)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CHHP)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]N[6]HH)(H)2{4|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(CHHP)(H){1|C<4>,4|H<1>}	110.3310	0.206	2	110.3310	0.043	2	110.9687	0.833	235	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CC3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC3)(H){1|C<3>,1|C<4>,3|H<1>}	111.8750	0.000	1	111.8750	0.000	1	110.9687	0.833	235	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	110.4480	0.058	2	110.4480	0.003	2	110.9687	0.833	235	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CC[6]CH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CC[6]CH)(H){1|C<4>,4|H<1>}	111.6623	0.643	8	111.6623	0.414	8	110.9687	0.833	235	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{2|H<1>,3|C<4>}	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){2|C<4>,3|H<1>}	110.9200	0.000	1	111.4584	0.298	7	110.9687	0.833	235	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|C<4>,4|H<1>}	111.5482	0.539	6	111.4584	0.298	7	110.9687	0.833	235	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,4|H<1>}	111.2220	0.517	4	111.2220	0.268	4	110.9687	0.833	235	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CHHP)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CHHP)(H){1|C<4>,4|H<1>}	111.0035	0.390	2	111.0035	0.152	2	110.9687	0.833	235	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<4>,4|H<1>}	112.0350	0.000	1	112.0350	0.000	1	110.9687	0.833	235	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	111.5370	0.000	1	111.5370	0.000	1	110.9687	0.833	235	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CBHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CBHH)(H){1|C<4>,4|H<1>}	111.0285	0.644	2	111.0285	0.415	2	110.9687	0.833	235	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCCH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CCCH)(H){1|C<4>,4|H<1>}	110.9600	0.208	2	110.9600	0.043	2	110.9687	0.833	235	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	110.8167	0.767	50	110.8167	0.588	50	110.9687	0.833	235	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CC[5]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CC[5]HH)(H){1|C<4>,4|H<1>}	110.8735	0.525	2	110.8735	0.276	2	110.9687	0.833	235	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CC[6]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CC[6]HH)(H){1|C<4>,4|H<1>}	110.5791	0.773	10	110.5791	0.598	10	110.9687	0.833	235	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CC[6a]CH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]CH)(H){1|C<3>,1|C<4>,3|H<1>}	110.7170	0.000	1	110.8628	0.303	4	110.9687	0.833	235	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CC[6a]CH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]CH)(H){1|C<4>,4|H<1>}	110.9113	0.664	3	110.8628	0.303	4	110.9687	0.833	235	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|F<1>,1|H<1>,3|C<4>}	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|F<1>,2|C<4>,2|H<1>}	110.8990	0.000	1	110.7202	0.770	31	110.9687	0.833	235	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|C<4>,4|H<1>}	110.7142	0.892	30	110.7202	0.770	31	110.9687	0.833	235	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,4|H<1>}	111.3563	1.579	20	111.3015	2.431	21	110.9687	0.833	235	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|H<1>,3|C<4>}	N[6](C[6]C[6]HH)2(CH3)(H){2|C<4>,3|H<1>}	110.2050	0.000	1	111.3015	2.431	21	110.9687	0.833	235	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CHPP)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CHPP)(H){1|C<4>,4|H<1>}	110.5130	0.260	2	110.5130	0.068	2	110.9687	0.833	235	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CSiHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CSiHH)(H){1|C<4>,4|H<1>}	111.4933	0.601	6	111.4933	0.361	6	110.9687	0.833	235	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	110.5906	0.463	10	110.5906	0.215	10	110.9687	0.833	235	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	114.1470	0.000	1	114.1470	0.000	1	110.9687	0.833	235	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	111.1820	0.476	4	111.1820	0.226	4	110.9687	0.833	235	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	N[6](C[6]C[6]HH)2(CH3)(H){2|C<4>,3|H<1>}	109.8130	0.656	2	109.8130	0.431	2	110.9687	0.833	235	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,4|H<1>}	111.1217	0.868	46	111.1217	0.754	46	110.9687	0.833	235	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-1:	C[6](C[6]C[6]HH)(N[6]C[6]CO)(H)2	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(O)	C[6](C[6]C[6]HH)(N[6]C[6]CO)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CCHH)(O){1|C<4>,4|H<1>}	111.9385	0.824	2	111.9385	0.679	2	111.4030	0.686	4	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-1:	C[6](C[6]C[6]HH)(N[6]C[6]CO)(H)2	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(O)	C[6](C[6]C[6]HH)(N[6]C[6]CO)(H)2{1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CCHH)(O){1|C<4>,4|H<1>}	110.8675	0.482	2	110.8675	0.232	2	111.4030	0.686	4	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|B<4>,3|C<4>,7|H<1>}	110.2782	0.335	4	110.3589	0.224	8	110.4466	0.214	10	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){3|C<4>,8|H<1>}	110.5965	0.459	2	110.3589	0.224	8	110.4466	0.214	10	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){4|C<4>,7|H<1>}	110.2825	0.931	2	110.3589	0.224	8	110.4466	0.214	10	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6a]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]2)(C[6]C[6]HH)2(H){2|C<3>,3|C<4>,8|H<1>}	110.7975	0.231	2	110.7975	0.053	2	110.4466	0.214	10	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|N<4>,4|H<1>}	111.1300	0.000	1	111.1300	0.000	1	111.0689	1.421	240	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,4|H<1>}	111.0399	0.578	60	111.0399	0.334	60	111.0689	1.421	240	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CC[6a]2H)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]2H)(H){1|N<4>,4|H<1>}	111.7108	0.674	10	111.7108	0.454	10	111.0689	1.421	240	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|N<4>,4|H<1>}	110.6895	0.646	6	110.6895	0.417	6	111.0689	1.421	240	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CH3)(H){1|N<4>,4|H<1>}	110.9829	0.934	69	110.9929	0.866	70	111.0689	1.421	240	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	N[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|N<4>,3|H<1>}	111.6830	0.000	1	110.9929	0.866	70	111.0689	1.421	240	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]HH)2(CHHP)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CHHP)(H){1|N<4>,4|H<1>}	110.7141	1.007	8	110.7141	1.013	8	111.0689	1.421	240	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,4|H<1>}	111.4184	2.110	30	111.4165	4.305	31	111.0689	1.421	240	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,1|N<4>,3|H<1>}	111.3600	0.000	1	111.4165	4.305	31	111.0689	1.421	240	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|N<4>,4|H<1>}	110.1945	0.705	2	110.1945	0.497	2	111.0689	1.421	240	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CH3)(H){1|N<4>,4|H<1>}	111.0050	1.436	52	111.0050	2.063	52	111.0689	1.421	240	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]2H)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H)	C[6](C[6]N[6]HH)(N[6]C[6]2H)(H)2{3|C<4>,5|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)2(H){1|N<4>,2|C<4>,8|H<1>}	111.6300	0.020	2	111.6300	0.000	2	111.6300	0.000	2	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](N[6]C[6]CoH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|Co<4>,1|C<4>,3|H<1>}	C[6](N[6]C[6]CoH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,4|H<1>}	110.8205	0.162	2	110.8205	0.026	2	110.3778	0.260	6	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](N[6]C[6]CuC)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|Cu<5>,2|C<4>,2|H<1>}	C[6](N[6]C[6]CuC)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CH3)(H){1|N<4>,4|H<1>}	109.8725	0.572	2	109.8725	0.327	2	110.3778	0.260	6	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	C[6](N[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](N[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,4|H<1>}	110.4405	0.196	2	110.4405	0.038	2	110.3778	0.260	6	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-1:	C[6](C[6]N[6]HH)(N[6]C[6]CO)(H)2	C[6](N[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(O)	C[6](C[6]N[6]HH)(N[6]C[6]CO)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](N[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)2(CCHH)(O){1|N<4>,4|H<1>}	111.1520	0.037	2	111.1520	0.001	2	111.1520	0.001	2	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	B[5,6]-4:C[6]-4:C-4:H-1:	C[6](N[6]B[5,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	N[6](B[5,6]C[6]O[5]2)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](N[6]B[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,3|H<1>}	N[6](B[5,6]C[6]O[5]2)(C[6]C[6]HH)(CC[6a]HH)(H){3|C<4>,4|H<1>}	112.5140	0.000	1	112.5140	0.000	1	112.5140	0.000	1	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	B[6,6]-4:C[6]-4:C-4:H-1:	C[6](N[6]B[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	N[6](B[6,6]C[6]O[6]2)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](N[6]B[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,3|H<1>}	N[6](B[6,6]C[6]O[6]2)(C[6]C[6]HH)(CC[6a]HH)(H){3|C<4>,4|H<1>}	112.4770	0.000	1	112.4770	0.000	1	112.4770	0.000	1	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	B[6,6]-4:C[6]-4:P-4:H-1:	C[6](N[6]B[6,6]HP)(C[6]C[6]HH)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[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](N[6]B[6,6]HP)(C[6]C[6]HH)(H)2{1|F<1>,1|N<3>,1|N<4>,2|H<1>}	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,1|P<4>,2|H<1>}	N[6](B[6,6]N[6,6]N[6]F)(C[6]C[6]HH)(PC[6a]2Mo)(H){1|P<4>,3|C<4>,3|H<1>}	112.6520	0.000	1	112.6520	0.000	1	112.6520	0.000	1	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6](N[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	N[6](C[5]C[5]2H)(C[6]C[6]HH)2(H)	C[6](N[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[5]C[5]2H)(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,6|H<1>}	109.5450	0.071	2	110.7494	0.867	8	110.7494	0.867	8	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[6](N[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	N[6](C[5]C[5]2H)(C[6]C[6]HH)2(H)	C[6](N[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[5]C[5]2H)(C[6]C[6]HH)2(H){1|B<4>,3|C<4>,7|H<1>}	111.1508	0.663	6	110.7494	0.867	8	110.7494	0.867	8	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,4|C<4>}	N[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H){4|C<4>,4|H<1>}	114.0095	0.368	2	114.0095	0.136	2	112.9505	1.876	4	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]CH)(H)	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,4|C<4>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]CH)(H){4|C<4>,4|H<1>}	111.1820	0.000	1	111.1820	0.000	1	112.9505	1.876	4	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H)	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,4|C<4>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(H){4|C<4>,4|H<1>}	112.6010	0.000	1	112.6010	0.000	1	112.9505	1.876	4	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Ga-4:H-1:	C[6](N[6]C[6]GaH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(GaCl3)(H)	C[6](N[6]C[6]GaH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Ga<4>,1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(GaCl3)(H){1|C<4>,4|H<1>}	111.4200	0.263	2	111.4200	0.069	2	111.4200	0.069	2	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	Ga[6]-4:C[6]-4:C-4:H-1:	C[6](N[6]Ga[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2	N[6](Ga[6]O[6]CC)(C[6]C[6]HH)(CH3)(H)	C[6](N[6]Ga[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2{1|Ga<4>,1|C<4>,1|H<1>}	N[6](Ga[6]O[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>}	111.3830	0.516	2	111.3830	0.266	2	111.3830	0.266	2	111.0251	1.121	560	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:2:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6](C[6]C[6]HH)(N[6]C[6]CO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OMg)	C[6](C[6]C[6]HH)(N[6]C[6]CO)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OMg){1|C<4>,4|H<1>}	112.4830	0.093	2	112.4830	0.009	2	110.8135	4.277	4	110.8135	4.277	4	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:2:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6](C[6]C[6]HH)(N[6]C[6]CO)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(ONi)	C[6](C[6]C[6]HH)(N[6]C[6]CO)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(ONi){1|C<4>,4|H<1>}	109.1440	1.294	2	109.1440	1.674	2	110.8135	4.277	4	110.8135	4.277	4	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:3:	C[6]-4:N[6]-4:H-1:H-1:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:N-3:	C[6](C[6]C[3x6]HH)(N[6]C[6,6]CN)(H)2	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(NHH)	C[6](C[6]C[3x6]HH)(N[6]C[6,6]CN)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2{1|N<3>,2|C<4>,3|H<1>,4|C<3>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)(NHH){1|C<4>,2|C<3>,5|H<1>}	112.2380	0.000	1	112.2380	0.000	1	112.2380	0.000	1	112.2380	0.000	1	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[6]-4:N[6]-4:H-1:H-1:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CC)(H)2	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(CH3)	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CC)(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{1|H<1>,2|O<2>,3|C<3>,4|C<4>}	N[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[3]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	114.1145	0.086	2	114.1145	0.007	2	114.1145	0.007	2	112.8373	0.779	102	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>}	N[6](C[6]C[6]HH)2(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	114.1580	0.000	1	114.1580	0.000	1	112.8355	0.775	61	112.8373	0.779	102	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCCH)(CCHH)	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|H<1>,3|C<4>}	N[6](C[6]C[6]HH)2(CCCH)(CCHH){1|C<4>,4|H<1>}	113.2130	1.365	2	113.2130	1.862	2	112.8355	0.775	61	112.8373	0.779	102	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|H<1>,3|C<4>}	N[6](C[6]C[6]HH)2(CCHH)(CH3){1|C<4>,4|H<1>}	112.9543	0.903	24	112.9543	0.815	24	112.8355	0.775	61	112.8373	0.779	102	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CCHH)2	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|H<1>,3|C<4>}	N[6](C[6]C[6]HH)2(CCHH)2{1|C<4>,4|H<1>}	113.4682	1.262	6	113.4682	1.593	6	112.8355	0.775	61	112.8373	0.779	102	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|H<1>,3|C<4>}	N[6](C[6]C[6]HH)2(CC[6a]HH)(CH3){1|C<4>,4|H<1>}	112.6592	0.481	10	112.6592	0.231	10	112.8355	0.775	61	112.8373	0.779	102	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CC[6a]HH)2	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|H<1>,3|C<4>}	N[6](C[6]C[6]HH)2(CC[6a]HH)2{1|C<4>,4|H<1>}	112.6308	0.324	4	112.6308	0.105	4	112.8355	0.775	61	112.8373	0.779	102	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|H<1>,3|C<4>}	N[6](C[6]C[6]HH)2(CH3)2{1|C<4>,4|H<1>}	112.6405	0.376	6	112.6405	0.142	6	112.8355	0.775	61	112.8373	0.779	102	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	N[6](C[6]C[6]HH)2(CSiHH)(CH3)	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|H<1>,3|C<4>}	N[6](C[6]C[6]HH)2(CSiHH)(CH3){1|C<4>,4|H<1>}	112.2138	0.944	8	112.2138	0.890	8	112.8355	0.775	61	112.8373	0.779	102	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2	N[6](C[6]C[6]HH)2(CCCH)2	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	N[6](C[6]C[6]HH)2(CCCH)2{1|N<4>,4|H<1>}	114.0970	0.179	4	114.0970	0.032	4	112.8098	0.728	38	112.8373	0.779	102	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2	N[6](C[6]C[6]HH)2(CH3)2	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	N[6](C[6]C[6]HH)2(CH3)2{1|N<4>,4|H<1>}	112.6584	0.768	34	112.6584	0.589	34	112.8098	0.728	38	112.8373	0.779	102	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	4:4:4:4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6](N[6]C[5,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	N[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)2	C[6](N[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,4|C<4>}	N[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)2{1|O<1>,3|C<4>,3|H<1>}	111.4350	0.000	1	111.4350	0.000	1	111.4350	0.000	1	112.8373	0.779	102	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:1:1:	5:4:4:4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	Ga[4,6]-5:C[6]-4:C-4:C-4:	C[6](N[6]Ga[4,6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]N[4,6]HH)(C[6]N[6]HH)(H)2	N[6](Ga[4,6]N[4,6]N[4]Cl2)(C[6]C[6]HH)(CH3)2	C[6](N[6]Ga[4,6]CC)(C[6]C[6]HH)(H)2{2|Cl<1>,2|H<1>,2|N<3>}	C[6](C[6]N[4,6]HH)(C[6]N[6]HH)(H)2{1|Ga<5>,1|C<3>,2|C<4>}	N[6](Ga[4,6]N[4,6]N[4]Cl2)(C[6]C[6]HH)(CH3)2{1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	115.9750	0.000	1	115.9750	0.000	1	115.9750	0.000	1	115.9750	0.000	1	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:2:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HO)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HN)(C[6]N[6]HH)(OC)(H)	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HO)(N[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]N[6]HH)(OC)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	109.9610	0.000	1	109.9610	0.000	1	109.9703	0.478	3	109.9703	0.478	3	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:2:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HO)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]HH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	109.9750	0.977	2	109.9750	0.955	2	109.9703	0.478	3	109.9703	0.478	3	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:2:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[5,6]HO)(N[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H)	N[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)(H)	C[6](C[6]C[5,6]HO)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(OH)(H){1|O<2>,2|H<1>,3|C<4>}	N[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	110.2660	0.000	1	110.2660	0.000	1	110.2660	0.000	1	110.2660	0.000	1	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:3:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(COO)(H)	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(COO)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	110.0163	0.859	6	110.0163	0.738	6	110.0163	0.738	6	110.0163	0.738	6	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:3:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[5,6]CH)(N[6]C[6]CH)(H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(CCH)(H)	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]C[5,6]CH)(N[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(CCH)(H){1|N<4>,2|C<3>,2|C<4>,5|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|C<3>,1|C<4>,3|H<1>}	113.3890	0.000	1	113.3890	0.000	1	113.3890	0.000	1	113.3890	0.000	1	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:4:1:	4:3:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(H)	N[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2{1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(H){2|C<4>,3|H<1>}	114.0420	0.000	1	114.0420	0.000	1	114.0420	0.000	1	114.0420	0.000	1	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H)	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	111.6235	0.905	4	111.6235	0.820	4	112.0025	3.070	21	111.0827	2.239	88	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHN)(H)	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHN)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	113.0803	2.813	6	113.0803	7.911	6	112.0025	3.070	21	111.0827	2.239	88	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]C)(C[6]N[6]HH)(CH3)(H)	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]N[6]HH)(CH3)(H){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	111.1890	0.625	2	111.1890	0.391	2	112.0025	3.070	21	111.0827	2.239	88	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H)	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	111.6331	1.054	9	111.6331	1.112	9	112.0025	3.070	21	111.0827	2.239	88	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HN)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NH3)(H)	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]C[6]HN)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NH3)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	108.2700	1.041	3	108.2700	1.084	3	108.2700	1.084	3	111.0827	2.239	88	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HP)(N[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(PO3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HP)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(PO3)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,3|H<1>}	111.8060	0.000	1	111.8060	0.000	1	111.8060	0.000	1	111.0827	2.239	88	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	111.1081	0.592	14	111.1081	0.350	14	110.9175	1.404	62	111.0827	2.239	88	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	110.7782	1.446	36	110.8619	1.712	48	110.9175	1.404	62	111.0827	2.239	88	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|N<4>,2|C<4>,2|H<1>}	111.1129	0.752	12	110.8619	1.712	48	110.9175	1.404	62	111.0827	2.239	88	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:4:1:	4:4:1:1:	C[6]-4:N[6]-4:H-1:H-1:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2	C[6](N[6]C[6]CoH)(C[6]N[6]HH)(CHHN)(H)	N[6](C[6]C[6]HH)2(H)2	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2{1|Co<6>,1|C<4>,3|H<1>}	C[6](N[6]C[6]CoH)(C[6]N[6]HH)(CHHN)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	109.7240	0.000	1	109.7240	0.000	1	109.7240	0.000	1	111.0827	2.239	88	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:F-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]CF)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)(F)	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]C[6]CF)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)(F){2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){1|F<1>,2|C<4>,2|H<1>}	113.8440	0.000	1	113.8440	0.000	1	113.8440	0.000	1	112.4246	1.513	10	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CH3)(H)	N[6](C[6]C[6]HH)2(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CH3)(H){2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CC[6a]HH)(H){2|C<4>,3|H<1>}	113.9420	0.000	1	113.9420	0.000	1	111.9725	2.540	4	112.4246	1.513	10	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CN[6]HH)(H)	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CN[6]HH)(H){2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CH3)(H){2|C<4>,3|H<1>}	110.0920	0.000	1	110.0920	0.000	1	111.9725	2.540	4	112.4246	1.513	10	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H)	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(CHHO)(H){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CH3)(H){2|C<4>,3|H<1>}	111.9280	0.447	2	111.9280	0.200	2	111.9725	2.540	4	112.4246	1.513	10	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]CH)(CH3)(H)	N[6](C[6]C[6]HH)2(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]CH)(CH3)(H){2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CH3)(H){1|C<4>,1|N<4>,3|H<1>}	113.2520	0.000	1	113.2520	0.000	1	112.7740	0.552	4	112.4246	1.513	10	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	N[6](C[6]C[6]HH)2(CCHH)(H){1|C<4>,1|N<4>,3|H<1>}	112.1490	0.000	1	112.6147	0.676	3	112.7740	0.552	4	112.4246	1.513	10	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	N[6](C[6]C[6]HH)2(CCHH)(H)	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	N[6](C[6]C[6]HH)2(CCHH)(H){1|N<4>,2|C<4>,2|H<1>}	112.8475	1.013	2	112.6147	0.676	3	112.7740	0.552	4	112.4246	1.513	10	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6](N[6]C[6,6]CH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CHHS)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(H)	C[6](N[6]C[6,6]CH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(CHHS)(H){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)(CCHH)(H){2|C<3>,2|C<4>,4|H<1>}	111.4160	0.000	1	111.4160	0.000	1	111.4160	0.000	1	112.4246	1.513	10	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:1:1:	5:4:1:1:	5:4:4:4:	C[6]-4:N[6]-4:H-1:H-1:	C[3x3,4x5,14x6]-5:C[6]-4:H-1:H-1:	Ga[3,3,5,5,7x6]-5:C[6]-4:C-4:C-4:	C[6](C[6]C[3x3,4x5,14x6]HH)(N[6]Ga[3,3,5,5,7x6]CC)(H)2	C[6](C[3x3,4x5,14x6]B[4x3,5x5,19x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6]C[3x3,4x5,13x6])(C[6]N[6]HH)(H)2	N[6](Ga[3,3,5,5,7x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,3x5,12x6]C)(C[6]C[6]HH)(CC[6a]HH)2	C[6](C[6]C[3x3,4x5,14x6]HH)(N[6]Ga[3,3,5,5,7x6]CC)(H)2{1|C<4>,1|C<5>,5|B<6>}	C[6](C[3x3,4x5,14x6]B[4x3,5x5,19x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6]C[3x3,4x5,13x6])(C[6]N[6]HH)(H)2{1|Ga<5>,2|C<4>,4|H<1>,5|B<6>}	N[6](Ga[3,3,5,5,7x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,3x5,12x6]C)(C[6]C[6]HH)(CC[6a]HH)2{2|C<5>,4|B<6>,5|H<1>}	113.9290	0.000	1	113.9290	0.000	1	113.9290	0.000	1	113.9290	0.000	1	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:2:1:	4:4:4:2:	4:4:4:1:	C[6]-4:N[6]-4:C-2:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]CO)(N[6]C[6]CH)(CH)(H)	C[6](C[6]C[6]CO)(C[6]N[6]CH)(CH3)(OH)	N[6](C[6]C[6]CH)2(CC[6a]HH)(H)	C[6](C[6]C[6]CO)(N[6]C[6]CH)(CH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]N[6]CH)(CH3)(OH){2|H<1>,3|C<4>}	N[6](C[6]C[6]CH)2(CC[6a]HH)(H){1|H<1>,1|O<2>,3|C<4>}	104.1160	0.000	1	104.1160	0.000	1	104.1160	0.000	1	104.1160	0.000	1	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:3:1:	3:3:4:1:	4:4:1:1:	C[6]-4:N[6]-4:C-3:H-1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(N[6]C[6]HH)(COO)(H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6a]N[6]H)(N[6]C[6]HH)(COO)(H){2|H<1>,4|C<3>}	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[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	111.5030	0.000	1	111.5030	0.000	1	111.5030	0.000	1	111.5030	0.000	1	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:3:1:	3:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-3:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(COO)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(H)2	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(COO)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6](C[6]C[5a,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|H<1>}	109.9750	0.000	1	109.9750	0.000	1	109.9750	0.000	1	109.9077	0.003	3	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:3:1:	3:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(COO)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	109.8740	0.000	2	109.8740	0.000	2	109.8740	0.000	2	109.9077	0.003	3	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:3:1:	3:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:C-3:H-1:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[5a,6]HH)(N[6]C[6]CH)(COO)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)(H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]CH)(COO)(H){1|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)(H){1|N<3>,2|H<1>,3|C<3>}	111.0470	0.000	1	111.0470	0.000	1	111.0470	0.000	1	109.8100	3.060	2	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:3:1:	3:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6,6a]HH)(N[6]C[6]CH)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]HH)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]CH)(COO)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(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]HH)(H){2|C<3>,2|H<1>}	108.5730	0.000	1	108.5730	0.000	1	108.5730	0.000	1	109.8100	3.060	2	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:3:1:	4:2:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]S[6]HH)(N[6]C[6]HH)(COO)(H)	C[6](C[6]N[6]CH)(S[6]C[6])(H)2	N[6](C[6]C[6]CH)2(H)2	C[6](C[6]S[6]HH)(N[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]CH)(S[6]C[6])(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)2(H)2{1|S<2>,4|H<1>}	111.0360	0.000	1	111.0360	0.000	1	111.0360	0.000	1	111.0360	0.000	1	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:3:1:	4:3:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(COO)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2	N[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	N[6](C[6]C[6]CH)2(H)2{1|C<3>,3|H<1>}	110.4990	0.914	2	110.4990	0.835	2	110.4990	0.835	2	110.4990	0.835	2	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:3:1:	4:3:3:1:	4:4:1:1:	C[6]-4:N[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6]HH)(C[6a]C[6a]2)(H)	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)2	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6]HH)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	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)2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	108.5850	0.000	1	108.5850	0.000	1	108.5850	0.000	1	108.5850	0.000	1	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:3:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	N[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	108.4420	0.000	1	108.4420	0.000	1	109.4086	0.598	5	109.4086	0.598	5	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:3:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(COO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(COO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|P<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,3|H<1>}	109.0630	0.000	1	109.3907	0.208	3	109.4086	0.598	5	109.4086	0.598	5	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:3:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(COO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(COO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	109.5545	0.504	2	109.3907	0.208	3	109.4086	0.598	5	109.4086	0.598	5	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:3:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(COO)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	N[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(COO)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	110.4290	0.000	1	110.4290	0.000	1	109.4086	0.598	5	109.4086	0.598	5	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:3:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(CNO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]CH)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(CNO)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]CH)(H)2{4|C<4>,4|H<1>}	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCHH)(H){2|C<4>,3|H<1>}	109.9750	0.552	2	109.9750	0.304	2	109.9750	0.304	2	109.7806	0.487	7	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:3:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CCH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	N[6](C[6]C[6]CH)2(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CCH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)2(CH3)(H){1|C<4>,4|H<1>}	109.3960	0.020	2	109.3960	0.000	2	109.7028	0.629	5	109.7806	0.487	7	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:3:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CNO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CNO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(H){1|C<4>,4|H<1>}	110.8330	0.000	1	110.8330	0.000	1	109.7028	0.629	5	109.7806	0.487	7	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:3:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CNO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	N[6](C[6]C[6]CH)2(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CNO)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)2(CH3)(H){1|C<4>,4|H<1>}	109.4445	0.957	2	109.4445	0.915	2	109.7028	0.629	5	109.7806	0.487	7	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:3:1:	4:4:1:1:	4:4:4:2:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6](C[6]C[6]HH)(N[6]C[6]CO)(CNO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OMg)	C[6](C[6]C[6]HH)(N[6]C[6]CO)(CNO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(OMg){1|C<4>,4|H<1>}	110.3705	0.414	2	110.3705	0.171	2	110.0530	0.194	4	110.0530	0.194	4	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:3:1:	4:4:1:1:	4:4:4:2:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:O-2:	C[6](C[6]C[6]HH)(N[6]C[6]CO)(CNO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(ONi)	C[6](C[6]C[6]HH)(N[6]C[6]CO)(CNO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(ONi){1|C<4>,4|H<1>}	109.7355	0.087	2	109.7355	0.008	2	110.0530	0.194	4	110.0530	0.194	4	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:3:1:	4:4:3:1:	4:4:1:1:	C[6]-4:N[6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6,6]C[6a]H)(N[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]O[6]N)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(H)2	C[6](C[6]C[6,6]C[6a]H)(N[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,2|H<1>,2|O<2>,5|C<3>}	C[6](C[6,6]C[6,6]O[6]N)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,2|H<1>,6|C<3>}	110.6640	0.000	1	110.6640	0.000	1	110.6640	0.000	1	110.6640	0.000	1	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	3:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	N[6](C[6]C[6,6a]CH)(C[6]C[6]CH)(H)2	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	107.4345	0.282	2	107.4345	0.080	2	107.4345	0.080	2	108.4231	2.174	16	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	3:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	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[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,4|H<1>}	110.0870	1.512	3	110.0870	2.286	3	108.7724	1.868	13	108.4231	2.174	16	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	3:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2	N[6](C[6]C[6]CH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	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[6]C[6]CH)2(H)2{1|N<3>,4|H<1>}	108.3780	1.111	10	108.3780	1.234	10	108.7724	1.868	13	108.4231	2.174	16	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	3:4:1:1:	4:4:1:1:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-3:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6](N[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6,6]O)(C[6]N[6]CH)(H)2	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2	C[6](N[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]N[6,6]O)(C[6]N[6]CH)(H)2{2|C<4>,2|H<1>}	N[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	105.8600	0.000	1	105.8600	0.000	1	105.8600	0.000	1	108.4231	2.174	16	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	3:4:1:1:	4:4:4:4:	C[6]-4:N[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]CC)(CHHO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]C[6,6a]HH)(N[6]C[6]CC)(CHHO)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>,3|C<4>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CCHH)(CH3){2|C<3>,2|H<1>}	110.3520	0.000	1	110.3520	0.000	1	110.3520	0.000	1	110.3520	0.000	1	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	3:4:2:1:	4:4:4:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6a]O[6]H)(N[6]C[6]CH)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]P[6])(H)	N[6](C[6]C[6]CH)(C[6]P[6]HH)(CHHP)(H)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]CH)(CH3)(H){1|P<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]P[6])(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]P[6]HH)(CHHP)(H){1|C<3>,1|H<1>,1|O<2>,2|O<1>}	106.3970	0.000	1	106.3970	0.000	1	106.3970	0.000	1	106.3970	0.000	1	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	3:4:2:2:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:O[6]-2:O-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6a]O[6]O)(N[6]C[6]HH)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(OH)	N[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6a]O[6]O)(N[6]C[6]HH)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(OH){1|C<4>,2|C<3>,6|H<1>}	N[6](C[6]C[6]CH)2(H)2{1|C<3>,2|H<1>,2|O<2>}	108.4410	0.000	1	108.4410	0.000	1	108.4410	0.000	1	108.4410	0.000	1	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:2:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]O[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	N[6](C[6]C[6]CH)2(H)2	C[6](C[6]O[6]HH)(N[6]C[6]HH)(CH3)(H){1|H<1>,2|C<4>}	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6]C[6]CH)2(H)2{1|C<3>,2|H<1>,2|O<2>}	107.6240	0.000	1	107.6240	0.000	1	107.6240	0.000	1	107.6240	0.000	1	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	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)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	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]CH)(C[6]C[6]HH)(H)2{1|N<3>,4|H<1>}	108.5070	0.000	1	108.5070	0.000	1	108.3777	0.284	3	108.3777	0.284	3	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	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)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<4>,3|H<1>}	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]CH)(C[6]C[6]HH)(H)2{1|N<3>,4|H<1>}	107.7920	0.000	1	107.7920	0.000	1	108.3777	0.284	3	108.3777	0.284	3	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]Zn)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|Zn<4>,1|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]Zn)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,4|H<1>}	108.8340	0.000	1	108.8340	0.000	1	108.3777	0.284	3	108.3777	0.284	3	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:3:1:1:	4:4:4:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(CC[6a]HH)(H)	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]HH)(N[6]C[6]CH)(CC[6a]HH)(H){2|C<4>,2|H<1>}	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)(CH3)(H){1|C<4>,1|N<3>,3|H<1>}	105.7270	0.000	1	105.7270	0.000	1	105.7270	0.000	1	105.7270	0.000	1	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:3:4:1:	3:4:4:1:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){2|C<4>,3|C<3>,3|H<1>}	109.6610	1.121	2	109.6610	1.258	2	109.6610	1.258	2	109.6610	1.258	2	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:3:4:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-3:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]CH)(N[6]C[6]HH)(CC[6a]HH)(H)	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)(H)2	C[6](C[6]N[6]CH)(N[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,1|S<4>,2|H<1>}	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)(H)2{1|C<4>,1|N<3>,3|H<1>}	111.5430	0.000	1	111.5430	0.000	1	111.5430	0.000	1	111.5430	0.000	1	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:3:4:1:	4:4:4:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CH3)(H)	C[6](C[6]N[6]CH)(C[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]C[6]CH)(N[6]C[6]CH)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(H){1|C<4>,1|H<1>,2|C<3>}	109.0230	0.000	1	109.0230	0.000	1	109.3590	0.226	2	109.3590	0.226	2	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:3:4:1:	4:4:4:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CH3)(H)	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H)	N[6](C[6]C[6]CH)2(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)(H){1|H<1>,3|C<4>}	N[6](C[6]C[6]CH)2(CC[6a]HH)(H){1|C<3>,1|H<1>,2|C<4>}	109.6950	0.000	1	109.6950	0.000	1	109.3590	0.226	2	109.3590	0.226	2	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]HH)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	N[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]HH)(H){3|C<4>,8|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	108.7395	0.378	2	108.7395	0.143	2	108.7395	0.143	2	109.1114	1.913	100	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[5,6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]CH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[5,6]HH)(N[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]CH)(H)2{3|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	109.9015	0.169	2	109.9015	0.029	2	109.9015	0.029	2	109.1114	1.913	100	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCHH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	108.5720	0.000	1	108.5720	0.000	1	108.8118	1.116	31	109.1114	1.913	100	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	N[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6]CH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	107.8900	1.418	2	107.7743	0.897	6	108.8118	1.116	31	109.1114	1.913	100	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	N[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCHH)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	107.7165	0.900	4	107.7743	0.897	6	108.8118	1.116	31	109.1114	1.913	100	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CC[6a]CH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CC[6a]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	108.3720	0.920	3	108.3720	0.847	3	108.8118	1.116	31	109.1114	1.913	100	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CC[6a]HO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CC[6a]HO)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	109.9777	0.719	7	109.9777	0.517	7	108.8118	1.116	31	109.1114	1.913	100	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	108.1633	0.246	3	108.1633	0.061	3	108.8118	1.116	31	109.1114	1.913	100	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	N[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	108.8760	0.000	1	108.4841	0.281	7	108.8118	1.116	31	109.1114	1.913	100	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	N[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	108.4188	0.549	6	108.4841	0.281	7	108.8118	1.116	31	109.1114	1.913	100	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	109.5960	0.000	1	109.5960	0.000	1	108.8118	1.116	31	109.1114	1.913	100	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	N[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	109.8590	0.000	1	109.8590	0.000	1	108.8118	1.116	31	109.1114	1.913	100	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CHHN)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CHHN)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	109.8270	0.041	2	109.8270	0.002	2	108.8118	1.116	31	109.1114	1.913	100	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	109.9450	0.000	1	109.9450	0.000	1	109.2493	2.382	64	109.1114	1.913	100	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]CH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){2|H<1>,3|C<4>}	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)2(H)2{1|N<4>,4|H<1>}	109.0015	0.722	2	109.0015	0.521	2	109.2493	2.382	64	109.1114	1.913	100	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	109.3729	1.996	36	109.2868	2.978	49	109.2493	2.382	64	109.1114	1.913	100	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	109.0484	0.455	13	109.2868	2.978	49	109.2493	2.382	64	109.1114	1.913	100	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2	N[6](C[6]C[6]CH)2(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)2(H)2{1|N<4>,4|H<1>}	109.0795	0.713	12	109.0795	0.508	12	109.2493	2.382	64	109.1114	1.913	100	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H)	C[6](N[6]C[6]CoH)(C[6]N[6]CH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CH3)(H){1|Co<4>,1|C<4>,3|H<1>}	C[6](N[6]C[6]CoH)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	108.7390	0.000	1	108.7390	0.000	1	108.7390	0.000	1	109.1114	1.913	100	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:4:1:1:	4:4:3:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	N[6](C[6]C[6]CH)2(CCH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]CH)2(CCH)(H){1|C<4>,4|H<1>}	109.8715	0.210	2	109.8715	0.044	2	109.8715	0.044	2	109.8715	0.044	2	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(CH3)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]CH)(H)2	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H)	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]CH)(H)2{1|C<3>,3|H<1>,4|C<4>}	N[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CH3)(H){2|H<1>,3|C<4>}	107.6340	0.000	1	107.6340	0.000	1	107.6340	0.000	1	110.1048	4.779	6	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:B-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]BH)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	N[6](C[6]C[6]CH)2(BC[6a]3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]BH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|B<4>,1|C<4>,3|H<1>}	N[6](C[6]C[6]CH)2(BC[6a]3)(H){1|C<4>,4|H<1>}	112.7260	0.506	2	112.7260	0.256	2	112.7260	0.256	2	110.1048	4.779	6	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CC[6a]CH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CC[6a]CH)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|C<4>,4|H<1>}	109.2230	0.000	1	109.2230	0.000	1	109.2230	0.000	1	110.1048	4.779	6	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(CH3)(H)	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(H){1|N<4>,4|H<1>}	108.3760	0.000	1	108.3760	0.000	1	108.3760	0.000	1	110.1048	4.779	6	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-4:H-1:	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(H)2	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(H)	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(H)2{2|H<1>,3|C<4>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(H){3|C<4>,5|H<1>}	109.9440	0.000	1	109.9440	0.000	1	109.9440	0.000	1	110.1048	4.779	6	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	109.6020	0.000	1	109.4387	0.023	3	109.5292	0.761	6	109.5292	0.761	6	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CCHH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	109.3570	0.074	2	109.4387	0.023	3	109.5292	0.761	6	109.5292	0.761	6	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H)	N[6](C[6]C[6]CH)2(H)2	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CH3)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(OC)(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	109.8645	1.831	2	109.8645	3.351	2	109.5292	0.761	6	109.5292	0.761	6	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CHHO)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HO)(N[6]C[6]HH)(CHHO)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]N[6]CH)(OH)(H){1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	109.1300	0.000	1	109.1300	0.000	1	109.5292	0.761	6	109.5292	0.761	6	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:4:3:1:	4:4:1:1:	C[6]-4:N[6]-4:P-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]HH)(PO3)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HP)(COO)(H)	N[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	C[6](C[6]C[6]CH)(N[6]C[6]HH)(PO3)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]HP)(COO)(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>}	110.1100	0.000	1	110.1100	0.000	1	110.1100	0.000	1	110.1100	0.000	1	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:4:4:1:	4:3:4:1:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CCHH)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CCHH)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]N[6]CH)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|C<4>,4|C<3>,5|H<1>}	110.2555	0.087	2	110.2555	0.008	2	109.1893	3.414	3	109.1893	3.414	3	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:4:4:1:	4:3:4:1:	N[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCHH)(H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6](N[6]C[6a]C[6]H)(C[6]C[6]CH)(CCHH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){3|C<4>,4|C<3>,4|H<1>}	107.0570	0.000	1	107.0570	0.000	1	109.1893	3.414	3	109.1893	3.414	3	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:C[6]-4:N[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]HH)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]HH)(H)	N[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]HH)(H){3|C<4>,8|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6]HH)(H){3|C<4>,8|H<1>}	N[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	108.0065	0.306	2	108.0065	0.094	2	108.0065	0.094	2	108.3961	0.448	9	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]2H)(N[6]C[6]HH)(CCHO)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]CH)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2H)(N[6]C[6]HH)(CCHO)(H){3|C<4>,5|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]HH)(C[6]N[6]CH)(H){1|C<3>,3|C<4>,7|H<1>}	N[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	107.5510	0.000	1	107.5510	0.000	1	107.5510	0.000	1	108.3961	0.448	9	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[6]-4:N[6]-4:P-4:H-1:	C[6]-4:N[6]-4:P-4:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HP)(N[6]C[6]HH)(PO3)(H)	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	C[6](C[6]N[6]HP)(N[6]C[6]HH)(PO3)(H){1|C<4>,4|H<1>}	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>}	108.6668	0.638	6	108.6668	0.407	6	108.6668	0.407	6	108.3961	0.448	9	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6]-4:N[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[3,6]CH)(N[6]C[6]CH)(CCHH)(H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]N[6]CH)(CCHH)(H)	N[6](C[6]C[3,6]CH)(C[6]C[6]CH)(CC[6a]HH)(H)	C[6](C[6]C[3,6]CH)(N[6]C[6]CH)(CCHH)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]N[6]CH)(CCHH)(H){1|H<1>,3|C<4>}	N[6](C[6]C[3,6]CH)(C[6]C[6]CH)(CC[6a]HH)(H){1|H<1>,1|O<2>,3|C<4>}	109.3770	0.000	1	109.3770	0.000	1	109.3770	0.000	1	109.0385	0.229	2	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[6]-4:N[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CCHH)(H)	C[6](C[6]C[6]CO)(C[6]N[6]CH)(CCHH)(H)	N[6](C[6]C[6]CH)2(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CCHH)(H){1|C<2>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]N[6]CH)(CCHH)(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>}	108.7000	0.000	1	108.7000	0.000	1	108.7000	0.000	1	109.0385	0.229	2	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:4:	4:2:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]O[6]HH)(N[6]C[6]HH)(CH3)2	C[6](C[6]N[6]CC)(O[6]C[6])(H)2	N[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]HH)(CH3)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]CC)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	106.1750	0.000	1	106.1750	0.000	1	106.1750	0.000	1	106.1750	0.000	1	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2	N[6](C[6]C[6]CC)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2{1|O<1>,3|C<4>}	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]CC)2(H)2{1|C<3>,4|H<1>}	107.6498	0.559	9	107.6498	0.312	9	107.6498	0.312	9	107.4297	0.762	10	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CHHN)2	C[6](C[6]N[6]CC)(N[6]C[6]C)(H)2	N[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CHHN)2{1|C<3>,1|C<4>,2|H<1>}	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]CC)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>}	105.4490	0.000	1	105.4490	0.000	1	105.4490	0.000	1	107.4297	0.762	10	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:4:	4:3:4:1:	4:4:4:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CCHH)(CH3)	C[6](C[6]N[6]CC)(C[6]C[6]C)(CH3)(H)	N[6](C[6]C[6]CC)(C[6]C[6]CH)(CC[6a]HH)(H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]N[6]CC)(C[6]C[6]C)(CH3)(H){1|H<1>,3|C<4>}	N[6](C[6]C[6]CC)(C[6]C[6]CH)(CC[6a]HH)(H){1|C<3>,1|H<1>,2|C<4>}	106.6000	0.000	1	106.6000	0.000	1	106.6000	0.000	1	106.6000	0.000	1	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:4:	4:4:1:1:	3:4:4:1:	N[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6](N[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H)	C[6](N[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H){1|B<4>,1|C<4>,2|C<3>,5|H<1>}	106.7015	2.085	18	106.7015	4.347	18	106.7015	4.347	18	106.7015	4.347	18	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:N[6]-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]HH)(CH3)	C[6](C[6]C[6]N[6]C)(C[6]C[6]HH)(H)2	N[6](C[6]C[6]2C)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(N[6]C[6]HH)(CH3){1|C<3>,2|C<4>,8|H<1>}	C[6](C[6]C[6]N[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	N[6](C[6]C[6]2C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	108.2010	0.000	1	108.2010	0.000	1	108.2010	0.000	1	107.4491	0.367	46	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	N[6](C[6]C[6]CC)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]CC)2(H)2{1|C<4>,4|H<1>}	107.2481	0.546	29	107.2481	0.298	29	107.4324	0.362	45	107.4491	0.367	46	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	N[6](C[6]C[6]CC)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2{1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]CC)2(H)2{1|C<4>,4|H<1>}	107.8903	0.267	4	107.9536	0.418	10	107.4324	0.362	45	107.4491	0.367	46	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	N[6](C[6]C[6]CC)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2{1|H<1>,1|N<4>,3|C<4>}	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]CC)2(H)2{1|C<4>,4|H<1>}	107.9958	0.839	6	107.9536	0.418	10	107.4324	0.362	45	107.4491	0.367	46	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2	N[6](C[6]C[6]CC)2(H)2	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2{1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]CC)2(H)2{1|C<4>,4|H<1>}	107.4542	0.173	6	107.4542	0.030	6	107.4324	0.362	45	107.4491	0.367	46	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	N[6](C[6]C[6]CC)2(OAl)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6]CC)2(OAl)(H){1|C<4>,4|H<1>}	106.5360	0.000	1	106.5360	0.000	1	107.0156	0.285	30	107.0156	0.285	30	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	N[6](C[6]C[6]CC)2(OB)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6]CC)2(OB)(H){1|C<4>,4|H<1>}	107.2905	0.376	6	107.2905	0.142	6	107.0156	0.285	30	107.0156	0.285	30	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	N[6](C[6]C[6]CC)2(OC)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6]CC)2(OC)(H){1|C<4>,4|H<1>}	107.1895	0.670	2	107.1895	0.448	2	107.0156	0.285	30	107.0156	0.285	30	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	N[6](C[6]C[6]CC)2(OFe)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6]CC)2(OFe)(H){1|C<4>,4|H<1>}	106.7355	0.606	4	106.7355	0.367	4	107.0156	0.285	30	107.0156	0.285	30	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	N[6](C[6]C[6]CC)2(OH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6]CC)2(OH)(H){1|C<4>,4|H<1>}	106.2680	0.682	2	106.2680	0.465	2	107.0156	0.285	30	107.0156	0.285	30	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	N[6](C[6]C[6]CC)2(OIr)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6]CC)2(OIr)(H){1|C<4>,4|H<1>}	107.3230	0.146	2	107.3230	0.021	2	107.0156	0.285	30	107.0156	0.285	30	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	N[6](C[6]C[6]CC)2(ONi)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6]CC)2(ONi)(H){1|C<4>,4|H<1>}	107.1318	0.517	11	107.1318	0.267	11	107.0156	0.285	30	107.0156	0.285	30	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:4:	4:4:1:1:	4:4:2:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	N[6](C[6]C[6]CC)2(OP)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<4>,1|O<2>,3|H<1>}	N[6](C[6]C[6]CC)2(OP)(H){1|C<4>,4|H<1>}	106.6175	0.151	2	106.6175	0.023	2	107.0156	0.285	30	107.0156	0.285	30	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:4:	4:4:1:1:	4:4:3:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	N[6](C[6]C[6]CC)2(CCC)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6]CC)2(CCC)(H){1|C<4>,4|H<1>}	106.7581	2.552	7	106.7581	6.514	7	106.7581	6.514	7	106.7581	6.514	7	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	N[6](C[6]C[6]CC)2(CCHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]CC)2(CCHH)(H){1|C<4>,4|H<1>}	107.6273	0.603	12	107.6273	0.363	12	107.5869	0.440	26	107.5869	0.440	26	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	N[6](C[6]C[6]CC)2(CC[5]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]CC)2(CC[5]HH)(H){1|C<4>,4|H<1>}	107.1955	0.284	2	107.1955	0.080	2	107.5869	0.440	26	107.5869	0.440	26	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	N[6](C[6]C[6]CC)2(CH3)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]CC)2(CH3)(H){1|C<4>,4|H<1>}	107.2652	0.688	6	107.2652	0.473	6	107.5869	0.440	26	107.5869	0.440	26	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	N[6](C[6]C[6]CC)2(CSi[5]HH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{2|C<4>,3|H<1>}	N[6](C[6]C[6]CC)2(CSi[5]HH)(H){1|C<4>,4|H<1>}	107.9583	0.747	6	107.9583	0.558	6	107.5869	0.440	26	107.5869	0.440	26	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:4:	4:4:1:1:	4:4:5:1:	N[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:Si-5:H-1:	C[6](N[6]C[6]SiH)(C[6]C[6]HH)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	N[6](C[6]C[6]CC)2(SiC[5]3Fe)(H)	C[6](N[6]C[6]SiH)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Si<5>,1|C<4>,3|H<1>}	N[6](C[6]C[6]CC)2(SiC[5]3Fe)(H){1|C<4>,4|H<1>}	108.7280	0.281	2	108.7280	0.079	2	108.7280	0.079	2	108.7280	0.079	2	110.4192	2.433	3763	109.8838	2.786	6244
466	466	854	6:SP3_SP3_SP3	C[6]	C[6]	N[6]	4:4:4:4:	4:4:2:1:	4:4:1:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:C[6]-4:S-2:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HS)(N[6]C[6]HH)(CH3)2	C[6](C[6]C[6]HH)(C[6]N[6]CC)(SC[6a])(H)	N[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	C[6](C[6]C[6]HS)(N[6]C[6]HH)(CH3)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]CC)(SC[6a])(H){1|C<4>,4|H<1>}	N[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,3|H<1>}	106.5800	0.000	1	106.5800	0.000	1	106.5800	0.000	1	106.5800	0.000	1	110.4192	2.433	3763	109.8838	2.786	6244