893	490	654	0:SP3_SP3_SP3	O	C	B[3,3,5,6]	4:4:	2:4:4:1:	6:6:6:2:	B[3,3,5,6]-4:C-4:	O-2:C-4:C-4:H-1:	B[5x3,5,6]-6:B[4x3,3x5,6,6]-6:B[3,3,5,6]-6:O-2:	O(B[3,3,5,6]B[4x3,3x5,6,6]B[3,3,5,6]B[5x3,5,6])(CCCH)	C(OB[3,3,5,6])(CH3)2(H)	B[3,3,5,6](B[5x3,5,6]B[3x3,5,5,6,6]B[4x3,3x5,6,6]B[3,3,5,6]B[5x3,5,5]H)(B[4x3,3x5,6,6]B[3x3,5,6]B[5x3,5,5]B[5x3,5,6]2H)(B[3,3,5,6]B[3x3,5,5,6,6]B[5x3,5,6]PtHH)(OC)	O(B[3,3,5,6]B[4x3,3x5,6,6]B[3,3,5,6]B[5x3,5,6])(CCCH)	C(OB[3,3,5,6])(CH3)2(H)	B[3,3,5,6](B[5x3,5,6]B[3x3,5,5,6,6]B[4x3,3x5,6,6]B[3,3,5,6]B[5x3,5,5]H)(B[4x3,3x5,6,6]B[3x3,5,6]B[5x3,5,5]B[5x3,5,6]2H)(B[3,3,5,6]B[3x3,5,5,6,6]B[5x3,5,6]PtHH)(OC){1|H<2>,2|B<6>,4|H<1>}	121.9130	0.000	1	121.9130	0.000	1	121.9130	0.000	1	121.9130	0.000	1	121.9130	0.000	1	121.9130	0.000	1
893	490	658	0:SP3_SP3_SP3	O	C	Si[6]	4:4:	2:1:1:1:	4:4:3:2:	Si[6]-4:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:C[6]-4:C[6a]-3:O-2:	O(Si[6]C[6a]C[6]2)(CH3)	C(OSi[6])(H)3	Si[6](C[6]Si[6]HH)2(C[6a]C[6a]2)(OC)	O(Si[6]C[6a]C[6]2)(CH3)	C(OSi[6])(H)3	Si[6](C[6]Si[6]HH)2(C[6a]C[6a]2)(OC){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	122.1050	2.086	3	122.1050	4.350	3	122.1050	4.350	3	122.1050	4.350	3	121.9920	2.951	4	121.9920	2.951	4
893	490	658	0:SP3_SP3_SP3	O	C	Si[6]	4:4:	2:1:1:1:	4:4:4:2:	Si[6]-4:C-4:	O-2:H-1:H-1:H-1:	Si[6]-4:Si[6]-4:C-4:O-2:	O(Si[6]Si[6]2C)(CH3)	C(OSi[6])(H)3	Si[6](Si[6]Si[6]CC)2(CC[3x6]HO)(OC)	O(Si[6]Si[6]2C)(CH3)	C(OSi[6])(H)3	Si[6](Si[6]Si[6]CC)2(CC[3x6]HO)(OC){1|Si<4>,4|C<4>}	121.6530	0.000	1	121.6530	0.000	1	121.6530	0.000	1	121.6530	0.000	1	121.9920	2.951	4	121.9920	2.951	4
893	490	670	0:SP2_SP2_SP3	O	C	Ge	3:4:	4:4:4:2:	2:2:1:	Ge-3:C-4:	C-4:C-4:C-4:O-2:	O-2:O-2:Se-1:	O(GeSeO)(CC3)	C(CHHN)(CH3)2(OGe)	Ge(OC)2(Se)	O(GeSeO)(CC3)	C(CHHN)(CH3)2(OGe)	Ge(OC)2(Se)	116.5685	0.202	2	116.5685	0.041	2	116.5685	0.041	2	116.5685	0.041	2	116.5685	0.041	2	116.5685	0.041	2
893	490	679	0:SP3_SP3_SP3	O	C	B[5a]	4:4:	2:1:1:1:	2:2:3:2:	B[5a]-4:C-4:	O-2:H-1:H-1:H-1:	O[5a]-2:O[5a]-2:C[6a]-3:O-2:	O(B[5a]C[6a]O[5a]2)(CH3)	C(OB[5a])(H)3	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)(OC)	O(B[5a]C[6a]O[5a]2)(CH3)	C(OB[5a])(H)3	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)(OC){1|C<4>,1|H<1>,4|C<3>}	116.8594	0.675	5	116.8594	0.455	5	116.8594	0.455	5	116.8594	0.455	5	116.8594	0.455	5	116.8594	0.455	5
893	490	718	0:SP3_SP3_SPD5	O	C	P[4,5,5]	5:4:	2:4:1:1:	4:3:2:2:2:	P[4,5,5]-5:C-4:	O-2:C-4:H-1:H-1:	N[4,5,5]-4:N[4]-3:O[5]-2:O[5]-2:O-2:	O(P[4,5,5]N[4,5,5]N[4]O[5]2)(CCHH)	C(OP[4,5,5])(CCHH)(H)2	P[4,5,5](N[4,5,5]B[4,5a]C[5]2)(N[4]B[4,5a]C[6a])(O[5]C[5])2(OC)	O(P[4,5,5]N[4,5,5]N[4]O[5]2)(CCHH)	C(OP[4,5,5])(CCHH)(H)2	P[4,5,5](N[4,5,5]B[4,5a]C[5]2)(N[4]B[4,5a]C[6a])(O[5]C[5])2(OC){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	122.2250	0.000	1	122.2250	0.000	1	122.2250	0.000	1	122.2250	0.000	1	122.2250	0.000	1	125.1935	17.624	2
893	490	718	0:SP3_SP3_SPD5	O	C	P[4,5]	5:4:	2:4:1:1:	2:2:3:3:2:	P[4,5]-5:C-4:	O-2:C-4:H-1:H-1:	O[5]-2:O[5]-2:N[4]-3:N[4]-3:O-2:	O(P[4,5]N[4]2O[5]2)(CCHH)	C(OP[4,5])(CC3)(H)2	P[4,5](O[5]C[5,6a])2(N[4]P[4]C)2(OC)	O(P[4,5]N[4]2O[5]2)(CCHH)	C(OP[4,5])(CC3)(H)2	P[4,5](O[5]C[5,6a])2(N[4]P[4]C)2(OC){1|O<2>,2|C<3>}	128.1620	0.000	1	128.1620	0.000	1	128.1620	0.000	1	128.1620	0.000	1	128.1620	0.000	1	125.1935	17.624	2
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:1:1:1:	2:2:2:	C[5a]-3:C-4:	O-2:H-1:H-1:H-1:	N[5a]-2:N[5a]-2:O-2:	O(C[5a]N[5a]2)(CH3)	C(OC[5a])(H)3	C[5a](N[5a]C[5a])(N[5a]O[5a])(OC)	O(C[5a]N[5a]2)(CH3)	C(OC[5a])(H)3	C[5a](N[5a]C[5a])(N[5a]O[5a])(OC){1|N<2>}	116.1400	0.000	1	116.1400	0.000	1	116.1400	0.000	1	115.3164	0.531	7	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:1:1:1:	2:2:2:	C[5a]-3:C-4:	O-2:H-1:H-1:H-1:	N[5a]-2:S[5a]-2:O-2:	O(C[5a]N[5a]S[5a])(CH3)	C(OC[5a])(H)3	C[5a](N[5a]N[5a])(S[5a]C[5a])(OC)	O(C[5a]N[5a]S[5a])(CH3)	C(OC[5a])(H)3	C[5a](N[5a]N[5a])(S[5a]C[5a])(OC){1|C<4>,1|O<1>}	114.8960	0.024	2	115.1792	0.478	6	115.1792	0.478	6	115.3164	0.531	7	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:1:1:1:	2:2:2:	C[5a]-3:C-4:	O-2:H-1:H-1:H-1:	N[5a]-2:S[5a]-2:O-2:	O(C[5a]N[5a]S[5a])(CH3)	C(OC[5a])(H)3	C[5a](N[5a]N[5a])(S[5a]C[5a])(OC)	O(C[5a]N[5a]S[5a])(CH3)	C(OC[5a])(H)3	C[5a](N[5a]N[5a])(S[5a]C[5a])(OC){1|C<4>}	114.4930	0.000	1	115.1792	0.478	6	115.1792	0.478	6	115.3164	0.531	7	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:1:1:1:	2:2:2:	C[5a]-3:C-4:	O-2:H-1:H-1:H-1:	N[5a]-2:S[5a]-2:O-2:	O(C[5a]N[5a]S[5a])(CH3)	C(OC[5a])(H)3	C[5a](N[5a]N[5a])(S[5a]C[5a])(OC)	O(C[5a]N[5a]S[5a])(CH3)	C(OC[5a])(H)3	C[5a](N[5a]N[5a])(S[5a]C[5a])(OC){1|H<1>,1|O<1>}	115.5967	0.786	3	115.1792	0.478	6	115.1792	0.478	6	115.3164	0.531	7	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:1:1:1:	3:2:2:	C[5a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6]-3:N[5a]-2:O-2:	O(C[5a]C[5a,6]N[5a])(CH3)	C(OC[5a])(H)3	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]O[5a])(OC)	O(C[5a]C[5a,6]N[5a])(CH3)	C(OC[5a])(H)3	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]O[5a])(OC){1|C<4>,1|N<4>,2|H<1>}	115.0820	0.000	1	115.0820	0.000	1	115.0820	0.000	1	116.1707	3.621	32	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:1:1:1:	3:2:2:	C[5a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:O[5a]-2:O-2:	O(C[5a]C[5a,6a]O[5a])(CH3)	C(OC[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(OC)	O(C[5a]C[5a,6a]O[5a])(CH3)	C(OC[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(OC){1|H<1>,1|N<2>,2|C<3>}	113.1680	0.000	1	113.1680	0.000	1	113.1680	0.000	1	116.1707	3.621	32	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:1:1:1:	3:2:2:	C[5a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:O-2:	O(C[5a]C[5a]N[5a])(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(OC)	O(C[5a]C[5a]N[5a])(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(OC){1|C<4>,1|H<1>}	114.8570	0.000	1	114.8570	0.000	1	116.1190	1.344	4	116.1707	3.621	32	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:1:1:1:	3:2:2:	C[5a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:O-2:	O(C[5a]C[5a]N[5a])(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(OC)	O(C[5a]C[5a]N[5a])(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(OC){3|C<3>}	116.4320	0.000	1	116.4320	0.000	1	116.1190	1.344	4	116.1707	3.621	32	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:1:1:1:	3:2:2:	C[5a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:O-2:	O(C[5a]C[5a]N[5a])(CH3)	C(OC[5a])(H)3	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(OC)	O(C[5a]C[5a]N[5a])(CH3)	C(OC[5a])(H)3	C[5a](C[5a]N[5a]N)(N[5a]C[5a])(OC){2|H<1>}	115.6210	0.000	1	115.6210	0.000	1	116.1190	1.344	4	116.1707	3.621	32	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:1:1:1:	3:2:2:	C[5a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:O-2:	O(C[5a]C[5a]N[5a])(CH3)	C(OC[5a])(H)3	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(OC)	O(C[5a]C[5a]N[5a])(CH3)	C(OC[5a])(H)3	C[5a](C[5a]S[5a]C)(N[5a]C[5a])(OC){1|C<4>}	117.5660	0.000	1	117.5660	0.000	1	116.1190	1.344	4	116.1707	3.621	32	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:1:1:1:	3:2:2:	C[5a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:O-2:	O(C[5a]C[5a]O[5a])(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(OC)	O(C[5a]C[5a]O[5a])(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(OC){1|C<3>,1|C<4>}	118.4760	2.186	5	118.4040	3.200	7	116.5342	6.147	14	116.1707	3.621	32	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:1:1:1:	3:2:2:	C[5a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:O-2:	O(C[5a]C[5a]O[5a])(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(OC)	O(C[5a]C[5a]O[5a])(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(OC){2|C<3>}	118.2240	0.030	2	118.4040	3.200	7	116.5342	6.147	14	116.1707	3.621	32	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:1:1:1:	3:2:2:	C[5a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:O-2:	O(C[5a]C[5a]O[5a])(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(OC)	O(C[5a]C[5a]O[5a])(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(OC){1|C<3>}	116.6420	0.000	1	116.6420	0.000	1	116.5342	6.147	14	116.1707	3.621	32	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:1:1:1:	3:2:2:	C[5a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:O-2:	O(C[5a]C[5a]O[5a])(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(OC)	O(C[5a]C[5a]O[5a])(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(OC){1|C<3>,1|C<4>}	114.3720	0.140	2	113.7500	0.530	4	116.5342	6.147	14	116.1707	3.621	32	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:1:1:1:	3:2:2:	C[5a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:O-2:	O(C[5a]C[5a]O[5a])(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(OC)	O(C[5a]C[5a]O[5a])(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(OC){1|C<4>,1|H<1>}	113.1280	0.154	2	113.7500	0.530	4	116.5342	6.147	14	116.1707	3.621	32	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:1:1:1:	3:2:2:	C[5a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:O-2:	O(C[5a]C[5a]O[5a])(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(OC)	O(C[5a]C[5a]O[5a])(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(OC){1|C<4>,2|C<3>}	116.3740	0.000	1	116.3740	0.000	1	116.5342	6.147	14	116.1707	3.621	32	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:1:1:1:	3:2:2:	C[5a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:O-2:	O(C[5a]C[5a]O[5a])(CH3)	C(OC[5a])(H)3	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(OC)	O(C[5a]C[5a]O[5a])(CH3)	C(OC[5a])(H)3	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(OC){1|C<3>}	114.6350	0.000	1	114.6350	0.000	1	116.5342	6.147	14	116.1707	3.621	32	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:1:1:1:	3:2:2:	C[5a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:O-2:	O(C[5a]C[5a]S[5a])(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(OC)	O(C[5a]C[5a]S[5a])(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]C[5])(S[5a]C[5a])(OC){1|C<4>,1|H<1>,2|C<3>}	117.0765	0.428	4	117.0765	0.183	4	116.3231	0.990	11	116.1707	3.621	32	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:1:1:1:	3:2:2:	C[5a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:O-2:	O(C[5a]C[5a]S[5a])(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(OC)	O(C[5a]C[5a]S[5a])(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(OC){1|C<3>,1|H<1>}	116.4703	0.745	3	115.7593	1.007	6	116.3231	0.990	11	116.1707	3.621	32	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:1:1:1:	3:2:2:	C[5a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:O-2:	O(C[5a]C[5a]S[5a])(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(OC)	O(C[5a]C[5a]S[5a])(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(OC){1|C<4>,1|H<1>}	115.7280	0.000	1	115.7593	1.007	6	116.3231	0.990	11	116.1707	3.621	32	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:1:1:1:	3:2:2:	C[5a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:O-2:	O(C[5a]C[5a]S[5a])(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(OC)	O(C[5a]C[5a]S[5a])(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(OC){1|H<1>,1|S<2>}	115.0210	0.000	1	115.7593	1.007	6	116.3231	0.990	11	116.1707	3.621	32	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:1:1:1:	3:2:2:	C[5a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:O-2:	O(C[5a]C[5a]S[5a])(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(OC)	O(C[5a]C[5a]S[5a])(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(OC){2|H<1>}	114.3960	0.000	1	115.7593	1.007	6	116.3231	0.990	11	116.1707	3.621	32	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:1:1:1:	3:2:2:	C[5a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:O-2:	O(C[5a]C[5a]S[5a])(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]N[5a])(S[5a]C[5a])(OC)	O(C[5a]C[5a]S[5a])(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]N[5a])(S[5a]C[5a])(OC){3|C<3>}	116.6920	0.000	1	116.6920	0.000	1	116.3231	0.990	11	116.1707	3.621	32	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:1:1:1:	3:2:2:	C[5a]-3:C-4:	O-2:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:O-2:	O(C[5a]N[5a]2)(CH3)	C(OC[5a])(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(OC)	O(C[5a]N[5a]2)(CH3)	C(OC[5a])(H)3	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(OC){1|H<1>,1|N<3>}	113.7030	0.000	1	113.7030	0.000	1	113.7030	0.000	1	116.1707	3.621	32	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:1:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:O-2:	O(C[5a]C[5a,6]C[5a])(CH3)	C(OC[5a])(H)3	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(OC)	O(C[5a]C[5a,6]C[5a])(CH3)	C(OC[5a])(H)3	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(OC){1|B<4>,1|H<1>,2|C<3>}	115.3590	0.000	1	116.4177	1.342	3	116.4177	1.342	3	116.0536	4.431	84	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:1:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6]-3:C[5a]-3:O-2:	O(C[5a]C[5a,6]C[5a])(CH3)	C(OC[5a])(H)3	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(OC)	O(C[5a]C[5a,6]C[5a])(CH3)	C(OC[5a])(H)3	C[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]H)(OC){1|Br<1>,1|B<4>,1|C<3>,1|H<1>}	116.9470	1.001	2	116.4177	1.342	3	116.4177	1.342	3	116.0536	4.431	84	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:1:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:O-2:	O(C[5a]C[5a,6a]C[5a])(CH3)	C(OC[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(OC)	O(C[5a]C[5a,6a]C[5a])(CH3)	C(OC[5a])(H)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(OC){1|H<1>,2|C<3>}	113.8530	0.000	1	113.8530	0.000	1	113.4400	0.341	2	116.0536	4.431	84	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:1:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:O-2:	O(C[5a]C[5a,6a]C[5a])(CH3)	C(OC[5a])(H)3	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(OC)	O(C[5a]C[5a,6a]C[5a])(CH3)	C(OC[5a])(H)3	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(OC){1|H<1>,3|C<3>}	113.0270	0.000	1	113.0270	0.000	1	113.4400	0.341	2	116.0536	4.431	84	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:1:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:O-2:	O(C[5a]C[5a]2)(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(OC)	O(C[5a]C[5a]2)(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(OC){1|C<4>,1|H<1>}	113.6900	0.148	2	114.0457	0.391	3	116.0896	4.865	72	116.0536	4.431	84	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:1:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:O-2:	O(C[5a]C[5a]2)(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(OC)	O(C[5a]C[5a]2)(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]N[5a]C)(OC){2|H<1>}	114.7570	0.000	1	114.0457	0.391	3	116.0896	4.865	72	116.0536	4.431	84	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:1:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:O-2:	O(C[5a]C[5a]2)(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(OC)	O(C[5a]C[5a]2)(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(OC){1|C<3>}	116.2915	0.049	2	116.2915	0.002	2	116.0896	4.865	72	116.0536	4.431	84	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:1:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:O-2:	O(C[5a]C[5a]2)(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(OC)	O(C[5a]C[5a]2)(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(OC){1|C<2>,1|H<1>}	119.4080	0.000	1	118.5855	15.731	6	116.0896	4.865	72	116.0536	4.431	84	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:1:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:O-2:	O(C[5a]C[5a]2)(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(OC)	O(C[5a]C[5a]2)(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(OC){1|Zn<5>,1|C<3>}	119.4737	4.308	4	118.5855	15.731	6	116.0896	4.865	72	116.0536	4.431	84	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:1:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:O-2:	O(C[5a]C[5a]2)(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(OC)	O(C[5a]C[5a]2)(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]Cl)(C[5a]N[5a]C)(OC){2|H<1>}	114.2100	0.000	1	118.5855	15.731	6	116.0896	4.865	72	116.0536	4.431	84	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:1:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:O-2:	O(C[5a]C[5a]2)(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(OC)	O(C[5a]C[5a]2)(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(OC){1|C<3>,1|H<1>}	115.2578	0.567	19	115.2578	0.322	19	116.0896	4.865	72	116.0536	4.431	84	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:1:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:O-2:	O(C[5a]C[5a]2)(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(OC)	O(C[5a]C[5a]2)(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(OC){1|H<1>}	117.0632	1.027	6	117.0632	1.055	6	116.0896	4.865	72	116.0536	4.431	84	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:1:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:O-2:	O(C[5a]C[5a]2)(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]O)(OC)	O(C[5a]C[5a]2)(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]O)(OC){1|H<1>,1|N<3>,2|C<3>}	113.5910	0.000	1	115.1620	3.086	3	116.0896	4.865	72	116.0536	4.431	84	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:1:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:O-2:	O(C[5a]C[5a]2)(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]O)(OC)	O(C[5a]C[5a]2)(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]O)(OC){1|Pd<4>,1|N<3>,2|C<3>}	115.9475	1.572	2	115.1620	3.086	3	116.0896	4.865	72	116.0536	4.431	84	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:1:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:O-2:	O(C[5a]C[5a]2)(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]O)(C[5a]N[5a]C)(OC)	O(C[5a]C[5a]2)(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]O)(C[5a]N[5a]C)(OC){1|C<3>,1|H<1>}	115.7706	1.831	14	116.2916	4.932	16	116.0896	4.865	72	116.0536	4.431	84	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:1:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:O-2:	O(C[5a]C[5a]2)(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]O)(C[5a]N[5a]C)(OC)	O(C[5a]C[5a]2)(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]O)(C[5a]N[5a]C)(OC){1|Pd<4>,1|C<3>}	119.9380	0.071	2	116.2916	4.932	16	116.0896	4.865	72	116.0536	4.431	84	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:1:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:O-2:	O(C[5a]C[5a]2)(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]O)(C[5a]N[5a]H)(OC)	O(C[5a]C[5a]2)(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]O)(C[5a]N[5a]H)(OC){1|C<3>,1|H<1>}	114.5980	0.126	2	114.5980	0.016	2	116.0896	4.865	72	116.0536	4.431	84	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:1:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:O-2:	O(C[5a]C[5a]2)(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]O)(C[5a]O[5a]C)(OC)	O(C[5a]C[5a]2)(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]O)(C[5a]O[5a]C)(OC){1|C<3>}	114.5725	2.747	2	114.5725	7.547	2	116.0896	4.865	72	116.0536	4.431	84	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:1:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:O-2:	O(C[5a]C[5a]2)(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]O)(C[5a]S[5a]C)(OC)	O(C[5a]C[5a]2)(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]O)(C[5a]S[5a]C)(OC){1|C<3>}	114.3220	1.972	4	114.3220	3.889	4	116.0896	4.865	72	116.0536	4.431	84	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:1:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:O-2:	O(C[5a]C[5a]2)(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]O)2(OC)	O(C[5a]C[5a]2)(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]O)2(OC){2|O<1>}	120.0280	0.023	2	120.0280	0.001	2	116.0896	4.865	72	116.0536	4.431	84	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:1:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:O-2:	O(C[5a]C[5a]2)(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(OC)	O(C[5a]C[5a]2)(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(OC){1|C<3>,1|H<1>,1|S<2>}	120.7380	0.000	1	120.7380	0.000	1	116.0896	4.865	72	116.0536	4.431	84	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:1:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:O-2:	O(C[5a]C[5a]2)(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(OC)	O(C[5a]C[5a]2)(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(OC){1|C<3>,1|H<1>,1|N<3>}	116.2030	0.000	1	116.2030	0.000	1	116.0896	4.865	72	116.0536	4.431	84	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:1:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:O-2:	O(C[5a]C[5a]2)(CH3)	C(OC[5a])(H)3	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]Cl)(OC)	O(C[5a]C[5a]2)(CH3)	C(OC[5a])(H)3	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]Cl)(OC){1|H<1>,1|N<2>,2|C<3>}	116.1380	0.000	1	116.1380	0.000	1	116.0896	4.865	72	116.0536	4.431	84	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:1:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:O-2:	O(C[5a]C[5a]2)(CH3)	C(OC[5a])(H)3	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]O)(OC)	O(C[5a]C[5a]2)(CH3)	C(OC[5a])(H)3	C[5a](C[5a]N[5a]C[5])(C[5a]C[5a]O)(OC){1|H<1>,1|N<2>,2|C<3>}	117.2760	0.000	1	117.2760	0.000	1	116.0896	4.865	72	116.0536	4.431	84	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:1:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:O-2:	O(C[5a]C[5a]2)(CH3)	C(OC[5a])(H)3	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]O)(OC)	O(C[5a]C[5a]2)(CH3)	C(OC[5a])(H)3	C[5a](C[5a]N[5a]C[6])(C[5a]C[5a]O)(OC){1|C<3>,1|O<2>,2|H<1>}	115.7595	2.758	2	115.7595	7.609	2	116.0896	4.865	72	116.0536	4.431	84	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:1:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:O-2:	O(C[5a]C[5a]2)(CH3)	C(OC[5a])(H)3	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]H)(OC)	O(C[5a]C[5a]2)(CH3)	C(OC[5a])(H)3	C[5a](C[5a]S[5a]Si)(C[5a]C[5a]H)(OC){1|C<3>}	116.2280	0.000	1	116.2280	0.000	1	116.0896	4.865	72	116.0536	4.431	84	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:1:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:O-2:	O(C[5a]C[5a]N[5a])(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]N)(OC)	O(C[5a]C[5a]N[5a])(CH3)	C(OC[5a])(H)3	C[5a](C[5a]C[5a]C)(N[5a]N[5a]N)(OC){1|C<3>}	115.1770	0.000	1	115.1770	0.000	1	116.3135	2.583	2	116.0536	4.431	84	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:1:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:O-2:	O(C[5a]C[5a]N[5a])(CH3)	C(OC[5a])(H)3	C[5a](C[5a]N[5a]N)(N[5a]C[5a]H)(OC)	O(C[5a]C[5a]N[5a])(CH3)	C(OC[5a])(H)3	C[5a](C[5a]N[5a]N)(N[5a]C[5a]H)(OC){1|H<1>}	117.4500	0.000	1	117.4500	0.000	1	116.3135	2.583	2	116.0536	4.431	84	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:1:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:H-1:H-1:H-1:	N[5a,6]-3:C[5a]-3:O-2:	O(C[5a]N[5a,6]C[5a])(CH3)	C(OC[5a])(H)3	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(OC)	O(C[5a]N[5a,6]C[5a])(CH3)	C(OC[5a])(H)3	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(OC){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	116.8850	0.625	2	116.8850	0.391	2	116.8850	0.391	2	116.0536	4.431	84	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:1:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:O-2:	O(C[5a]C[5a]N[5a])(CH3)	C(OC[5a])(H)3	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(OC)	O(C[5a]C[5a]N[5a])(CH3)	C(OC[5a])(H)3	C[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)(OC){1|C<4>,2|C<3>}	115.1970	0.000	1	115.1970	0.000	1	115.8410	0.311	3	116.0536	4.431	84	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:1:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:O-2:	O(C[5a]C[5a]N[5a])(CH3)	C(OC[5a])(H)3	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(OC)	O(C[5a]C[5a]N[5a])(CH3)	C(OC[5a])(H)3	C[5a](N[5a]C[5a]Zn)(C[5a]C[5a]H)(OC){1|C<3>,1|H<1>}	116.1630	0.016	2	116.1630	0.000	2	115.8410	0.311	3	116.0536	4.431	84	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:2:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:C-2:H-1:H-1:	C[5a,6a]-3:C[5a,6a]-3:O-2:	O(C[5a]C[5a,6a]2)(CCHH)	C(OC[5a])(CC)(H)2	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(OC)	O(C[5a]C[5a,6a]2)(CCHH)	C(OC[5a])(CC)(H)2	C[5a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(OC){1|H<1>,1|N<3>,4|C<3>}	114.3635	2.360	2	114.3635	5.568	2	114.3635	5.568	2	114.3635	5.568	2	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:3:1:1:	2:2:2:	C[5a]-3:C-4:	O-2:C-3:H-1:H-1:	N[5a]-2:S[5a]-2:O-2:	O(C[5a]N[5a]S[5a])(CCHH)	C(OC[5a])(CNO)(H)2	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(OC)	O(C[5a]N[5a]S[5a])(CCHH)	C(OC[5a])(CNO)(H)2	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(OC){2|C<3>}	115.5720	0.954	4	115.5720	0.909	4	115.5720	0.909	4	115.5720	0.909	4	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:3:1:1:	3:2:2:	C[5a]-3:C-4:	O-2:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:O-2:	O(C[5a]C[5a]N[5a])(CCHH)	C(OC[5a])(CNO)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(OC)	O(C[5a]C[5a]N[5a])(CCHH)	C(OC[5a])(CNO)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(OC){1|C<3>,1|C<4>}	114.8030	0.000	1	114.8030	0.000	1	115.4690	0.525	3	115.4690	0.525	3	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:3:1:1:	3:2:2:	C[5a]-3:C-4:	O-2:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:O-2:	O(C[5a]C[5a]N[5a])(CCHH)	C(OC[5a])(COO)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(OC)	O(C[5a]C[5a]N[5a])(CCHH)	C(OC[5a])(COO)(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(OC){2|C<3>}	115.3640	0.000	1	115.3640	0.000	1	115.4690	0.525	3	115.4690	0.525	3	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:3:1:1:	3:2:2:	C[5a]-3:C-4:	O-2:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:O-2:	O(C[5a]C[5a]N[5a])(CCHH)	C(OC[5a])(COO)(H)2	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(OC)	O(C[5a]C[5a]N[5a])(CCHH)	C(OC[5a])(COO)(H)2	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(OC){3|C<3>}	116.2400	0.000	1	116.2400	0.000	1	115.4690	0.525	3	115.4690	0.525	3	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:3:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:O-2:	O(C[5a]C[5a,6a]C[5a])(CCHH)	C(OC[5a])(CCH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(OC)	O(C[5a]C[5a,6a]C[5a])(CCHH)	C(OC[5a])(CCH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(OC){1|H<1>,2|C<3>}	113.5260	0.000	1	113.5260	0.000	1	117.0455	24.774	2	115.9530	15.968	3	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:3:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:O-2:	O(C[5a]C[5a,6a]C[5a])(CCHH)	C(OC[5a])(COO)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(OC)	O(C[5a]C[5a,6a]C[5a])(CCHH)	C(OC[5a])(COO)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(OC){1|C<3>,1|H<1>,1|N<2>}	120.5650	0.000	1	120.5650	0.000	1	117.0455	24.774	2	115.9530	15.968	3	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:3:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:C-3:H-1:H-1:	N[5a]-3:C[5a]-3:O-2:	O(C[5a]C[5a]N[5a])(CCHH)	C(OC[5a])(CCH)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OC)	O(C[5a]C[5a]N[5a])(CCHH)	C(OC[5a])(CCH)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OC){1|C<4>,2|C<3>}	113.7680	0.000	1	113.7680	0.000	1	113.7680	0.000	1	115.9530	15.968	3	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:4:1:1:	2:2:2:	C[5a]-3:C-4:	O-2:C-4:H-1:H-1:	N[5a]-2:N[5a]-2:O-2:	O(C[5a]N[5a]2)(CCHH)	C(OC[5a])(CH3)(H)2	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(OC)	O(C[5a]N[5a]2)(CCHH)	C(OC[5a])(CH3)(H)2	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(OC){1|C<3>,1|N<3>}	114.5350	0.000	1	114.5350	0.000	1	115.2720	0.766	3	115.3703	0.381	6	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:4:1:1:	2:2:2:	C[5a]-3:C-4:	O-2:C-4:H-1:H-1:	N[5a]-2:N[5a]-2:O-2:	O(C[5a]N[5a]2)(CCHH)	C(OC[5a])(CH3)(H)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(OC)	O(C[5a]N[5a]2)(CCHH)	C(OC[5a])(CH3)(H)2	C[5a](N[5a]C[5a])(N[5a]N[5a])(OC){1|C<3>,1|H<1>}	115.6405	0.846	2	115.6405	0.716	2	115.2720	0.766	3	115.3703	0.381	6	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:4:1:1:	2:2:2:	C[5a]-3:C-4:	O-2:C-4:H-1:H-1:	N[5a]-2:S[5a]-2:O-2:	O(C[5a]N[5a]S[5a])(CCHH)	C(OC[5a])(CH3)(H)2	C[5a](N[5a]C[5a])(S[5a]C[5a])(OC)	O(C[5a]N[5a]S[5a])(CCHH)	C(OC[5a])(CH3)(H)2	C[5a](N[5a]C[5a])(S[5a]C[5a])(OC){1|C<4>,1|H<1>}	115.1470	0.000	1	115.1470	0.000	1	115.4687	0.157	3	115.3703	0.381	6	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:4:1:1:	2:2:2:	C[5a]-3:C-4:	O-2:C-4:H-1:H-1:	N[5a]-2:S[5a]-2:O-2:	O(C[5a]N[5a]S[5a])(CCHH)	C(OC[5a])(CH3)(H)2	C[5a](N[5a]N[5a])(S[5a]C[5a])(OC)	O(C[5a]N[5a]S[5a])(CCHH)	C(OC[5a])(CH3)(H)2	C[5a](N[5a]N[5a])(S[5a]C[5a])(OC){1|N<3>}	115.3470	0.000	1	115.6295	0.160	2	115.4687	0.157	3	115.3703	0.381	6	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:4:1:1:	2:2:2:	C[5a]-3:C-4:	O-2:C-4:H-1:H-1:	N[5a]-2:S[5a]-2:O-2:	O(C[5a]N[5a]S[5a])(CCHH)	C(OC[5a])(CH3)(H)2	C[5a](N[5a]N[5a])(S[5a]C[5a])(OC)	O(C[5a]N[5a]S[5a])(CCHH)	C(OC[5a])(CH3)(H)2	C[5a](N[5a]N[5a])(S[5a]C[5a])(OC){1|S<1>}	115.9120	0.000	1	115.6295	0.160	2	115.4687	0.157	3	115.3703	0.381	6	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:4:1:1:	3:2:2:	C[5a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5a,6a]-3:N[5a]-2:O-2:	O(C[5a]C[5a,6a]N[5a])(CCHH)	C(OC[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OC)	O(C[5a]C[5a,6a]N[5a])(CCHH)	C(OC[5a])(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OC){1|C<4>,1|H<1>,2|C<3>}	118.3130	0.000	1	118.3130	0.000	1	118.3130	0.000	1	116.7732	2.211	23	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:4:1:1:	3:2:2:	C[5a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:O-2:	O(C[5a]C[5a]N[5a])(CCHH)	C(OC[5a])(CCHH)(H)2	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(OC)	O(C[5a]C[5a]N[5a])(CCHH)	C(OC[5a])(CCHH)(H)2	C[5a](C[5a]C[6a]S[5a])(N[5a]C[5a])(OC){3|C<3>}	118.4080	0.360	3	118.4080	0.130	3	116.9144	2.176	7	116.7732	2.211	23	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:4:1:1:	3:2:2:	C[5a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:O-2:	O(C[5a]C[5a]N[5a])(CCHH)	C(OC[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(OC)	O(C[5a]C[5a]N[5a])(CCHH)	C(OC[5a])(CCHH)(H)2	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(OC)	115.8425	0.897	2	115.8425	0.805	2	116.9144	2.176	7	116.7732	2.211	23	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:4:1:1:	3:2:2:	C[5a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:O-2:	O(C[5a]C[5a]N[5a])(CCHH)	C(OC[5a])(CHHO)(H)2	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(OC)	O(C[5a]C[5a]N[5a])(CCHH)	C(OC[5a])(CHHO)(H)2	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(OC)	115.7460	0.518	2	115.7460	0.268	2	116.9144	2.176	7	116.7732	2.211	23	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:4:1:1:	3:2:2:	C[5a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5a]-3:O[5a]-2:O-2:	O(C[5a]C[5a]O[5a])(CCHH)	C(OC[5a])(CH3)(H)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(OC)	O(C[5a]C[5a]O[5a])(CCHH)	C(OC[5a])(CH3)(H)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(OC){1|C<3>,1|C<4>}	113.7400	0.000	1	114.0325	0.171	2	114.0325	0.171	2	116.7732	2.211	23	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:4:1:1:	3:2:2:	C[5a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5a]-3:O[5a]-2:O-2:	O(C[5a]C[5a]O[5a])(CCHH)	C(OC[5a])(CH3)(H)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(OC)	O(C[5a]C[5a]O[5a])(CCHH)	C(OC[5a])(CH3)(H)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(OC){1|C<3>,1|N<3>}	114.3250	0.000	1	114.0325	0.171	2	114.0325	0.171	2	116.7732	2.211	23	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:4:1:1:	3:2:2:	C[5a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5a]-3:S[5a]-2:O-2:	O(C[5a]C[5a]S[5a])(CCHH)	C(OC[5a])(CH3)(H)2	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(OC)	O(C[5a]C[5a]S[5a])(CCHH)	C(OC[5a])(CH3)(H)2	C[5a](C[5a]N[5a]C[5])(S[5a]C[5a])(OC){1|C<4>,2|C<3>}	117.7660	0.911	4	117.7660	0.830	4	117.7660	0.830	4	116.7732	2.211	23	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:4:1:1:	3:2:2:	C[5a]-3:C-4:	O-2:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:O-2:	O(C[5a]N[5a]2)(CCHH)	C(OC[5a])(CCHH)(H)2	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(OC)	O(C[5a]N[5a]2)(CCHH)	C(OC[5a])(CCHH)(H)2	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(OC){1|Ge<4>,1|O<1>,2|C<3>}	114.6620	0.000	1	114.6620	0.000	1	116.6544	1.620	8	116.7732	2.211	23	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:4:1:1:	3:2:2:	C[5a]-3:C-4:	O-2:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:O-2:	O(C[5a]N[5a]2)(CCHH)	C(OC[5a])(CH3)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(OC)	O(C[5a]N[5a]2)(CCHH)	C(OC[5a])(CH3)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(OC){2|C<3>}	117.2292	0.809	6	117.2292	0.654	6	116.6544	1.620	8	116.7732	2.211	23	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:4:1:1:	3:2:2:	C[5a]-3:C-4:	O-2:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:O-2:	O(C[5a]N[5a]2)(CCHH)	C(OC[5a])(CH3)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(OC)	O(C[5a]N[5a]2)(CCHH)	C(OC[5a])(CH3)(H)2	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(OC){1|N<3>}	115.1980	0.000	1	115.1980	0.000	1	116.6544	1.620	8	116.7732	2.211	23	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:4:1:1:	3:2:2:	C[5a]-3:C-4:	O-2:S-4:H-1:H-1:	N[5a]-3:N[5a]-2:O-2:	O(C[5a]N[5a]2)(CHHS)	C(OC[5a])(SCOO)(H)2	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(OC)	O(C[5a]N[5a]2)(CHHS)	C(OC[5a])(SCOO)(H)2	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(OC){2|C<3>}	116.7050	0.000	1	116.7050	0.000	1	116.7050	0.000	1	116.7732	2.211	23	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:4:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:O-2:	O(C[5a]C[5a,6a]C[5a])(CCHH)	C(OC[5a])(CC3)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(OC)	O(C[5a]C[5a,6a]C[5a])(CCHH)	C(OC[5a])(CC3)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)(OC){1|H<1>,2|C<3>}	119.4500	0.000	1	119.4500	0.000	1	115.3929	3.603	7	115.7313	2.947	50	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:4:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:O-2:	O(C[5a]C[5a,6a]C[5a])(CCHH)	C(OC[5a])(CF3)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(OC)	O(C[5a]C[5a,6a]C[5a])(CCHH)	C(OC[5a])(CF3)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(OC){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	114.7167	0.695	6	114.7167	0.483	6	115.3929	3.603	7	115.7313	2.947	50	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:4:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:O-2:	O(C[5a]C[5a]2)(CCHH)	C(OC[5a])(CCCH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(OC)	O(C[5a]C[5a]2)(CCHH)	C(OC[5a])(CCCH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(OC){1|C<3>}	116.1010	0.000	1	116.1010	0.000	1	115.9048	2.828	31	115.7313	2.947	50	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:4:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:O-2:	O(C[5a]C[5a]2)(CCHH)	C(OC[5a])(CCCH)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(OC)	O(C[5a]C[5a]2)(CCHH)	C(OC[5a])(CCCH)(H)2	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(OC){1|H<1>,3|C<3>}	115.3460	0.017	2	115.3460	0.000	2	115.9048	2.828	31	115.7313	2.947	50	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:4:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:O-2:	O(C[5a]C[5a]2)(CCHH)	C(OC[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(OC)	O(C[5a]C[5a]2)(CCHH)	C(OC[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]S[5a]H)(OC){1|C<3>}	115.1155	0.774	2	115.1155	0.600	2	115.9048	2.828	31	115.7313	2.947	50	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:4:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:O-2:	O(C[5a]C[5a]2)(CCHH)	C(OC[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(OC)	O(C[5a]C[5a]2)(CCHH)	C(OC[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(OC){1|H<1>}	115.9750	2.857	2	115.9750	8.161	2	115.9048	2.828	31	115.7313	2.947	50	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:4:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:O-2:	O(C[5a]C[5a]2)(CCHH)	C(OC[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]O)(C[5a]S[5a]C)(OC)	O(C[5a]C[5a]2)(CCHH)	C(OC[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]O)(C[5a]S[5a]C)(OC){1|C<3>}	113.8730	0.972	3	113.8730	0.944	3	115.9048	2.828	31	115.7313	2.947	50	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:4:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:O-2:	O(C[5a]C[5a]2)(CCHH)	C(OC[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]O)(C[5a]S[5a]H)(OC)	O(C[5a]C[5a]2)(CCHH)	C(OC[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]O)(C[5a]S[5a]H)(OC){1|H<1>}	116.3165	0.491	2	116.3165	0.242	2	115.9048	2.828	31	115.7313	2.947	50	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:4:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:O-2:	O(C[5a]C[5a]2)(CCHH)	C(OC[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(OC)	O(C[5a]C[5a]2)(CCHH)	C(OC[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(OC){1|Br<1>,1|C<3>,1|S<2>}	116.9570	0.000	1	116.6920	0.140	2	115.9048	2.828	31	115.7313	2.947	50	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:4:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:O-2:	O(C[5a]C[5a]2)(CCHH)	C(OC[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(OC)	O(C[5a]C[5a]2)(CCHH)	C(OC[5a])(CCHH)(H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(OC){1|C<3>,1|H<1>,1|S<2>}	116.4270	0.000	1	116.6920	0.140	2	115.9048	2.828	31	115.7313	2.947	50	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:4:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:O-2:	O(C[5a]C[5a]2)(CCHH)	C(OC[5a])(CCHH)(H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(OC)	O(C[5a]C[5a]2)(CCHH)	C(OC[5a])(CCHH)(H)2	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]C)(OC){3|C<3>}	119.4725	1.070	2	119.4725	1.145	2	115.9048	2.828	31	115.7313	2.947	50	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:4:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:O-2:	O(C[5a]C[5a]2)(CCHH)	C(OC[5a])(CCHH)(H)2	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(OC)	O(C[5a]C[5a]2)(CCHH)	C(OC[5a])(CCHH)(H)2	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]H)(OC){1|H<1>,2|C<3>}	116.8985	0.100	2	116.8985	0.010	2	115.9048	2.828	31	115.7313	2.947	50	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:4:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:O-2:	O(C[5a]C[5a]2)(CCHH)	C(OC[5a])(CH3)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N)(OC)	O(C[5a]C[5a]2)(CCHH)	C(OC[5a])(CH3)(H)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N)(OC){1|Cu<4>,1|N<3>,2|C<3>}	113.5210	0.000	1	113.5210	0.000	1	115.9048	2.828	31	115.7313	2.947	50	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:4:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:O-2:	O(C[5a]C[5a]2)(CCHH)	C(OC[5a])(CH3)(H)2	C[5a](C[5a]C[5a]O)(C[5a]S[5a]C)(OC)	O(C[5a]C[5a]2)(CCHH)	C(OC[5a])(CH3)(H)2	C[5a](C[5a]C[5a]O)(C[5a]S[5a]C)(OC){1|H<1>}	112.6050	0.000	1	112.6050	0.000	1	115.9048	2.828	31	115.7313	2.947	50	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:4:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:O-2:	O(C[5a]C[5a]2)(CCHH)	C(OC[5a])(CH3)(H)2	C[5a](C[5a]C[5a]O)(C[5a]S[5a]H)(OC)	O(C[5a]C[5a]2)(CCHH)	C(OC[5a])(CH3)(H)2	C[5a](C[5a]C[5a]O)(C[5a]S[5a]H)(OC){1|C<4>}	113.7130	0.000	1	113.7130	0.000	1	115.9048	2.828	31	115.7313	2.947	50	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:4:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:O-2:	O(C[5a]C[5a]2)(CCHH)	C(OC[5a])(CHHO)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(OC)	O(C[5a]C[5a]2)(CCHH)	C(OC[5a])(CHHO)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(OC){1|C<3>}	116.3330	0.000	1	116.5028	0.361	5	115.9048	2.828	31	115.7313	2.947	50	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:4:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:O-2:	O(C[5a]C[5a]2)(CCHH)	C(OC[5a])(CHHO)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(OC)	O(C[5a]C[5a]2)(CCHH)	C(OC[5a])(CHHO)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(OC){1|H<1>}	116.5452	0.685	4	116.5028	0.361	5	115.9048	2.828	31	115.7313	2.947	50	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:4:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:O-2:	O(C[5a]C[5a]2)(CCHH)	C(OC[5a])(CHHO)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(OC)	O(C[5a]C[5a]2)(CCHH)	C(OC[5a])(CHHO)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(OC){1|H<1>}	115.6723	0.676	3	115.6723	0.457	3	115.9048	2.828	31	115.7313	2.947	50	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:4:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:O-2:	O(C[5a]C[5a]2)(CCHH)	C(OC[5a])(CHHO)(H)2	C[5a](C[5a]C[5a]O)(C[5a]S[5a]H)(OC)	O(C[5a]C[5a]2)(CCHH)	C(OC[5a])(CHHO)(H)2	C[5a](C[5a]C[5a]O)(C[5a]S[5a]H)(OC){1|H<1>}	117.1630	0.703	2	117.1630	0.494	2	115.9048	2.828	31	115.7313	2.947	50	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:4:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:O-2:	O(C[5a]C[5a]N[5a])(CCHH)	C(OC[5a])(CH3)(H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(OC)	O(C[5a]C[5a]N[5a])(CCHH)	C(OC[5a])(CH3)(H)2	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(OC){1|C<4>,3|C<3>}	115.0526	1.073	9	115.0526	1.151	9	115.0136	1.038	10	115.7313	2.947	50	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:4:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:O-2:	O(C[5a]C[5a]N[5a])(CCHH)	C(OC[5a])(CH3)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(OC)	O(C[5a]C[5a]N[5a])(CCHH)	C(OC[5a])(CH3)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(OC){2|C<3>}	114.6630	0.000	1	114.6630	0.000	1	115.0136	1.038	10	115.7313	2.947	50	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:4:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:C-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:O-2:	O(C[5a]N[5a,6]C[5a])(CCHH)	C(OC[5a])(CHHO)(H)2	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(OC)	O(C[5a]N[5a,6]C[5a])(CCHH)	C(OC[5a])(CHHO)(H)2	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(OC){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	115.2650	0.000	1	115.2650	0.000	1	115.2650	0.000	1	115.7313	2.947	50	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:4:1:1:	3:3:2:	C[5a]-3:C-4:	O-2:C-4:H-1:H-1:	N[5a,6a]-3:C[5a]-3:O-2:	O(C[5a]N[5a,6a]C[5a])(CCHH)	C(OC[5a])(CH3)(H)2	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]S)(OC)	O(C[5a]N[5a,6a]C[5a])(CCHH)	C(OC[5a])(CH3)(H)2	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]S)(OC){1|S<2>,3|C<3>}	120.3660	0.000	1	120.3660	0.000	1	120.3660	0.000	1	115.7313	2.947	50	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	2:4:4:4:	3:2:2:	C[5a]-3:C-4:	O-2:C-4:C-4:C-4:	C[5a]-3:O[5a]-2:O-2:	O(C[5a]C[5a]O[5a])(CC3)	C(OC[5a])(CH3)3	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(OC)	O(C[5a]C[5a]O[5a])(CC3)	C(OC[5a])(CH3)3	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(OC){1|C<4>,2|C<3>}	118.9880	0.000	1	118.9880	0.000	1	118.9880	0.000	1	118.9880	0.000	1	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	3:2:1:1:	3:2:2:	C[5a]-3:C-4:	C-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:O-2:	O(C[5a]C[5a]N[5a])(CCHH)	C(CN[5]O)(OC[5a])(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(OC)	O(C[5a]C[5a]N[5a])(CCHH)	C(CN[5]O)(OC[5a])(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(OC){2|C<3>}	116.0560	0.000	1	116.0560	0.000	1	116.0560	0.000	1	115.1387	2.005	7	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	3:2:1:1:	3:2:2:	C[5a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[5a,6]-3:N[5a]-2:O-2:	O(C[5a]C[5a,6]N[5a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5a])(H)2	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]O[5a])(OC)	O(C[5a]C[5a,6]N[5a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5a])(H)2	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]O[5a])(OC){1|C<3>,1|C<4>,1|O<1>}	114.8495	0.209	2	114.8495	0.044	2	114.8495	0.044	2	115.1387	2.005	7	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	3:2:1:1:	3:2:2:	C[5a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[5a,6a]-3:N[5a]-2:O-2:	O(C[5a]C[5a,6a]N[5a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5a])(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]O[5a])(OC)	O(C[5a]C[5a,6a]N[5a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5a])(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]O[5a])(OC){1|O<2>,2|C<3>}	114.3480	0.000	1	114.3480	0.000	1	114.3480	0.000	1	115.1387	2.005	7	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	3:2:1:1:	3:2:2:	C[5a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:O-2:	O(C[5a]C[5a]N[5a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5a])(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(OC)	O(C[5a]C[5a]N[5a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5a])(H)2	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(OC){1|C<3>,1|H<1>}	113.7000	0.000	1	113.7000	0.000	1	113.7000	0.000	1	115.1387	2.005	7	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	3:2:1:1:	3:2:2:	C[5a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[5a]-3:O[5a]-2:O-2:	O(C[5a]C[5a]O[5a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5a])(H)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(OC)	O(C[5a]C[5a]O[5a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5a])(H)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(OC){2|C<3>}	117.8860	0.000	1	117.8860	0.000	1	117.8860	0.000	1	115.1387	2.005	7	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	3:2:1:1:	3:2:2:	C[5a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	N[5a]-3:N[5a]-2:O-2:	O(C[5a]N[5a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5a])(H)2	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(OC)	O(C[5a]N[5a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5a])(H)2	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(OC){2|C<3>}	114.2820	0.000	1	114.2820	0.000	1	114.2820	0.000	1	115.1387	2.005	7	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	3:2:1:1:	3:3:2:	C[5a]-3:C-4:	C-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-3:O-2:	O(C[5a]C[5a]N[5a])(CCHH)	C(CC[6a]O)(OC[5a])(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OC)	O(C[5a]C[5a]N[5a])(CCHH)	C(CC[6a]O)(OC[5a])(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OC){1|C<4>}	119.7600	0.816	2	119.7600	0.666	2	119.7600	0.666	2	116.5228	9.381	5	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	3:2:1:1:	3:3:2:	C[5a]-3:C-4:	C[5]-3:O-2:H-1:H-1:	N[5a]-3:C[5a]-3:O-2:	O(C[5a]C[5a]N[5a])(CC[5]HH)	C(C[5]C[5]N[5])(OC[5a])(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OC)	O(C[5a]C[5a]N[5a])(CC[5]HH)	C(C[5]C[5]N[5])(OC[5a])(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OC){1|C<4>,2|C<3>}	114.7120	0.000	1	114.7120	0.000	1	114.7120	0.000	1	116.5228	9.381	5	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	3:2:1:1:	3:3:2:	C[5a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[5a,6a]-3:C[5a]-3:O-2:	O(C[5a]C[5a,6a]C[5a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5a])(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(OC)	O(C[5a]C[5a,6a]C[5a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5a])(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(OC){1|N<3>,5|C<3>}	113.2570	0.000	1	113.2570	0.000	1	113.2570	0.000	1	116.5228	9.381	5	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	3:2:1:1:	3:3:2:	C[5a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	N[5a,6]-3:C[5a]-3:O-2:	O(C[5a]N[5a,6]C[5a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5a])(H)2	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(OC)	O(C[5a]N[5a,6]C[5a])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5a])(H)2	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(OC){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	115.1250	0.000	1	115.1250	0.000	1	115.1250	0.000	1	116.5228	9.381	5	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	3:3:3:2:	3:3:2:	C[5a]-3:C-4:	N[5a]-3:C[6a]-3:C[6a]-3:O-2:	C[5a]-3:N[5a]-3:O-2:	O(C[5a]C[5a]N[5a])(CC[6a]2N[5a])	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(OC[5a])	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OC)	O(C[5a]C[5a]N[5a])(CC[6a]2N[5a])	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)2(OC[5a])	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OC){1|C<3>}	117.7370	1.068	2	117.7370	1.140	2	117.7370	1.140	2	117.7370	1.140	2	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	4:2:1:1:	3:2:2:	C[5a]-3:C-4:	C[3]-4:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:O-2:	O(C[5a]C[5a]N[5a])(CC[3]HH)	C(C[3]C[3]O[3]H)(OC[5a])(H)2	C[5a](C[5a]N[5a]N[6])(N[5a]S[5a])(OC)	O(C[5a]C[5a]N[5a])(CC[3]HH)	C(C[3]C[3]O[3]H)(OC[5a])(H)2	C[5a](C[5a]N[5a]N[6])(N[5a]S[5a])(OC){2|C<4>}	113.8110	0.000	1	113.8110	0.000	1	113.8110	0.000	1	115.4878	2.058	4	116.0001	3.578	233	116.0001	3.578	233
893	490	727	0:SP2_SP2_SP3	O	C	C[5a]	3:4:	4:2:1:1:	3:2:2:	C[5a]-3:C-4:	C[5]-4:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:O-2:	O(C[5a]C[5a]N[5a])(CC[5]HH)	C(C[5]C[5]O[5]H)(OC[5a])(H)2	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(OC)	O(C[5a]C[5a]N[5a])(CC[5]HH)	C(C[5]C[5]O[5]H)(OC[5a])(H)2	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(OC){1|H<1>}	116.0467	1.101	3	116.0467	1.213	3	116.0467	1.213	3	115.4878	2.058	4	116.0001	3.578	233	116.0001	3.578	233
893	490	762	0:SP2_SP2_SP3	O	C	C[6,6]	3:4:	2:1:1:1:	4:2:2:	C[6,6]-3:C-4:	O-2:H-1:H-1:H-1:	C[3x6]-4:N[6,6]-2:O-2:	O(C[6,6]C[3x6]N[6,6])(CH3)	C(OC[6,6])(H)3	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6])(OC)	O(C[6,6]C[3x6]N[6,6])(CH3)	C(OC[6,6])(H)3	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6])(OC){1|O<2>,1|W<7>,2|C<4>,3|H<1>}	115.5977	0.903	3	115.5977	0.816	3	115.5977	0.816	3	115.1329	0.530	8	115.6516	2.604	18	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6,6]	3:4:	2:1:1:1:	4:2:2:	C[6,6]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,3x6]-4:N[6,6]-2:O-2:	O(C[6,6]C[5,3x6]N[6,6])(CH3)	C(OC[6,6])(H)3	C[6,6](C[5,3x6]C[5,6,6]N[5,6,6]C[5])(N[6,6]C[3x6])(OC)	O(C[6,6]C[5,3x6]N[6,6])(CH3)	C(OC[6,6])(H)3	C[6,6](C[5,3x6]C[5,6,6]N[5,6,6]C[5])(N[6,6]C[3x6])(OC){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	115.1240	0.000	1	115.1240	0.000	1	114.8540	0.261	5	115.1329	0.530	8	115.6516	2.604	18	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6,6]	3:4:	2:1:1:1:	4:2:2:	C[6,6]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,3x6]-4:N[6,6]-2:O-2:	O(C[6,6]C[5,3x6]N[6,6])(CH3)	C(OC[6,6])(H)3	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[3x6])(OC)	O(C[6,6]C[5,3x6]N[6,6])(CH3)	C(OC[6,6])(H)3	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[3x6])(OC){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	114.3980	0.000	1	114.3980	0.000	1	114.8540	0.261	5	115.1329	0.530	8	115.6516	2.604	18	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6,6]	3:4:	2:1:1:1:	4:2:2:	C[6,6]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,3x6]-4:N[6,6]-2:O-2:	O(C[6,6]C[5,3x6]N[6,6])(CH3)	C(OC[6,6])(H)3	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[4x6])(OC)	O(C[6,6]C[5,3x6]N[6,6])(CH3)	C(OC[6,6])(H)3	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[4x6])(OC){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	114.9160	0.613	3	114.9160	0.376	3	114.8540	0.261	5	115.1329	0.530	8	115.6516	2.604	18	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6,6]	3:4:	2:1:1:1:	4:3:2:	C[6,6]-3:C-4:	O-2:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:O-2:	O(C[6,6]C[3x6]C[6,6])(CH3)	C(OC[6,6])(H)3	C[6,6](C[3x6]C[5,6,6]C[3x6]H)(C[6,6]C[4x6]H)(OC)	O(C[6,6]C[3x6]C[6,6])(CH3)	C(OC[6,6])(H)3	C[6,6](C[3x6]C[5,6,6]C[3x6]H)(C[6,6]C[4x6]H)(OC){1|Si<4>,2|C<3>,2|C<4>,2|H<1>}	115.7720	0.000	1	115.7720	0.000	1	115.7335	0.114	4	116.0876	4.495	7	115.6516	2.604	18	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6,6]	3:4:	2:1:1:1:	4:3:2:	C[6,6]-3:C-4:	O-2:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:O-2:	O(C[6,6]C[3x6]C[6,6])(CH3)	C(OC[6,6])(H)3	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(OC)	O(C[6,6]C[3x6]C[6,6])(CH3)	C(OC[6,6])(H)3	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]H)(OC){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	115.2490	0.000	1	115.2490	0.000	1	115.7335	0.114	4	116.0876	4.495	7	115.6516	2.604	18	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6,6]	3:4:	2:1:1:1:	4:3:2:	C[6,6]-3:C-4:	O-2:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:O-2:	O(C[6,6]C[3x6]C[6,6])(CH3)	C(OC[6,6])(H)3	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]H)(OC)	O(C[6,6]C[3x6]C[6,6])(CH3)	C(OC[6,6])(H)3	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]H)(OC){1|O<1>,2|C<3>,3|C<4>}	115.8950	0.000	1	115.8950	0.000	1	115.7335	0.114	4	116.0876	4.495	7	115.6516	2.604	18	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6,6]	3:4:	2:1:1:1:	4:3:2:	C[6,6]-3:C-4:	O-2:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:O-2:	O(C[6,6]C[3x6]C[6,6])(CH3)	C(OC[6,6])(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(OC)	O(C[6,6]C[3x6]C[6,6])(CH3)	C(OC[6,6])(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]H)(OC){1|O<2>,1|W<7>,2|C<4>,3|H<1>}	116.0180	0.000	1	116.0180	0.000	1	115.7335	0.114	4	116.0876	4.495	7	115.6516	2.604	18	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6,6]	3:4:	2:1:1:1:	4:3:2:	C[6,6]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,3x6]-4:C[6,6]-3:O-2:	O(C[6,6]C[5,3x6]C[6,6])(CH3)	C(OC[6,6])(H)3	C[6,6](C[5,3x6]C[3x5,6,6]C[5,6,6]H)(C[6,6]C[5,3x6]C)(OC)	O(C[6,6]C[5,3x6]C[6,6])(CH3)	C(OC[6,6])(H)3	C[6,6](C[5,3x6]C[3x5,6,6]C[5,6,6]H)(C[6,6]C[5,3x6]C)(OC){1|C<3>,3|C<4>,3|O<2>}	120.6770	0.000	1	120.6770	0.000	1	116.5597	12.729	3	116.0876	4.495	7	115.6516	2.604	18	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6,6]	3:4:	2:1:1:1:	4:3:2:	C[6,6]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,3x6]-4:C[6,6]-3:O-2:	O(C[6,6]C[5,3x6]C[6,6])(CH3)	C(OC[6,6])(H)3	C[6,6](C[5,3x6]C[5,6,6]2Cl)(C[6,6]C[3x6]H)(OC)	O(C[6,6]C[5,3x6]C[6,6])(CH3)	C(OC[6,6])(H)3	C[6,6](C[5,3x6]C[5,6,6]2Cl)(C[6,6]C[3x6]H)(OC){1|O<2>,3|C<3>,3|C<4>}	114.5010	0.170	2	114.5010	0.029	2	116.5597	12.729	3	116.0876	4.495	7	115.6516	2.604	18	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6,6]	3:4:	2:4:1:1:	4:2:2:	C[6,6]-3:C-4:	O-2:C-4:H-1:H-1:	C[3x6]-4:N[6,6]-2:O-2:	O(C[6,6]C[3x6]N[6,6])(CCHH)	C(OC[6,6])(CH3)(H)2	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6])(OC)	O(C[6,6]C[3x6]N[6,6])(CCHH)	C(OC[6,6])(CH3)(H)2	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6])(OC){1|C<3>,1|N<3>,4|C<4>}	114.7455	0.032	2	114.7455	0.001	2	114.7455	0.001	2	114.7455	0.001	2	115.6516	2.604	18	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6,6]	3:4:	3:2:1:1:	4:3:2:	C[6,6]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[3x6]-4:C[6,6]-3:O-2:	O(C[6,6]C[3x6]C[6,6])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6,6])(H)2	C[6,6](C[3x6]C[5,5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(OC)	O(C[6,6]C[3x6]C[6,6])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6,6])(H)2	C[6,6](C[3x6]C[5,5,6,6]C[6,6]C)(C[6,6]C[3x6]C)(OC){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	118.5610	0.000	1	118.5610	0.000	1	118.5610	0.000	1	118.5610	0.000	1	115.6516	2.604	18	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	2:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	N[6]-2:N[6]-2:O-2:	O(C[6]N[6]2)(CH3)	C(OC[6])(H)3	C[6](N[6]C[6])2(OC)	O(C[6]N[6]2)(CH3)	C(OC[6])(H)3	C[6](N[6]C[6])2(OC){1|N<3>,1|O<2>,1|S<1>}	117.3250	0.000	1	117.5015	0.062	2	117.5015	0.062	2	117.5015	0.062	2	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	2:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	N[6]-2:N[6]-2:O-2:	O(C[6]N[6]2)(CH3)	C(OC[6])(H)3	C[6](N[6]C[6])2(OC)	O(C[6]N[6]2)(CH3)	C(OC[6])(H)3	C[6](N[6]C[6])2(OC){1|N<3>,2|O<2>}	117.6780	0.000	1	117.5015	0.062	2	117.5015	0.062	2	117.5015	0.062	2	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	2:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-2:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6,6])(C[6]C[6]O)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6,6])(C[6]C[6]O)(OC){1|C<3>,1|C<4>,1|H<1>}	116.9790	0.000	1	116.9790	0.000	1	116.9790	0.000	1	118.1225	2.615	2	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	2:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	O[6]-2:C[6]-3:O-2:	O(C[6]C[6]O[6])(CH3)	C(OC[6])(H)3	C[6](O[6]C[6,6])(C[6]C[6]C)(OC)	O(C[6]C[6]O[6])(CH3)	C(OC[6])(H)3	C[6](O[6]C[6,6])(C[6]C[6]C)(OC){1|C<3>,1|C<4>,1|O<1>}	119.2660	0.000	1	119.2660	0.000	1	119.2660	0.000	1	118.1225	2.615	2	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:2:2:	C[6]-3:C-4:	O-2:F-1:F-1:F-1:	C[6]-3:C[6]-2:O-2:	O(C[6]C[6]2)(CF3)	C(OC[6])(F)3	C[6](C[6]C[6]H)(C[6]C[6])(OC)	O(C[6]C[6]2)(CF3)	C(OC[6])(F)3	C[6](C[6]C[6]H)(C[6]C[6])(OC){1|C<3>,2|H<1>}	117.3970	0.000	1	117.3970	0.000	1	117.3970	0.000	1	117.5777	1.450	68	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6,6]-3:O[6]-2:O-2:	O(C[6]C[5,6,6]O[6])(CH3)	C(OC[6])(H)3	C[6](C[5,6,6]C[5,3x6]C[5,5,6])(O[6]P[6])(OC)	O(C[6]C[5,6,6]O[6])(CH3)	C(OC[6])(H)3	C[6](C[5,6,6]C[5,3x6]C[5,5,6])(O[6]P[6])(OC){1|H<1>,1|P<4>,1|W<6>,2|C<3>,3|C<4>}	115.0860	0.000	1	115.0860	0.000	1	115.0860	0.000	1	117.5777	1.450	68	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6]-3:O[6]-2:O-2:	O(C[6]C[5,6]O[6])(CH3)	C(OC[6])(H)3	C[6](C[5,6]C[5,6]C[5])(O[6]B[6])(OC)	O(C[6]C[5,6]O[6])(CH3)	C(OC[6])(H)3	C[6](C[5,6]C[5,6]C[5])(O[6]B[6])(OC){1|P<4>,2|C<4>,2|H<1>,3|C<3>}	115.9340	0.000	1	115.9340	0.000	1	115.9340	0.000	1	117.5777	1.450	68	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6]-3:O[6]-2:O-2:	O(C[6]C[6,6]O[6])(CH3)	C(OC[6])(H)3	C[6](C[6,6]C[6,6]C[6])(O[6]B[6])(OC)	O(C[6]C[6,6]O[6])(CH3)	C(OC[6])(H)3	C[6](C[6,6]C[6,6]C[6])(O[6]B[6])(OC){1|C<3>,1|C<4>,1|O<2>,2|F<1>,2|H<1>}	118.0820	0.000	1	118.0820	0.000	1	118.0820	0.000	1	117.5777	1.450	68	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:N[6]-2:O-2:	O(C[6]C[6,6a]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(OC)	O(C[6]C[6,6a]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6])(OC){1|Ru<6>,1|H<1>,3|C<3>}	117.0260	0.000	1	117.0260	0.000	1	117.0260	0.000	1	117.5777	1.450	68	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:O[6]-2:O-2:	O(C[6]C[6,6a]O[6])(CH3)	C(OC[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC)	O(C[6]C[6,6a]O[6])(CH3)	C(OC[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC){1|H<1>,1|N<2>,3|C<3>}	113.4380	0.000	1	116.0905	14.072	2	116.0905	14.072	2	117.5777	1.450	68	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:O[6]-2:O-2:	O(C[6]C[6,6a]O[6])(CH3)	C(OC[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC)	O(C[6]C[6,6a]O[6])(CH3)	C(OC[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC){2|H<1>,3|C<3>}	118.7430	0.000	1	116.0905	14.072	2	116.0905	14.072	2	117.5777	1.450	68	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-2:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]2)(C[6]C[6])(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]2)(C[6]C[6])(OC){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	117.9120	0.000	1	117.9120	0.000	1	117.5797	0.092	7	117.5777	1.450	68	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-2:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(C[6]C[6])(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(C[6]C[6])(OC){1|C<3>,1|H<1>,1|N<4>}	117.8150	0.000	1	117.7783	0.011	3	117.5797	0.092	7	117.5777	1.450	68	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-2:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(C[6]C[6])(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(C[6]C[6])(OC){1|C<3>,2|H<1>}	117.7600	0.140	2	117.7783	0.011	3	117.5797	0.092	7	117.5777	1.450	68	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-2:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]O)(C[6]C[6])(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]O)(C[6]C[6])(OC){1|C<3>,1|C<4>,1|O<2>}	117.1740	0.000	1	117.2703	0.008	3	117.5797	0.092	7	117.5777	1.450	68	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-2:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]O)(C[6]C[6])(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]O)(C[6]C[6])(OC){1|C<3>,1|S<2>,2|H<1>}	117.2940	0.000	1	117.2703	0.008	3	117.5797	0.092	7	117.5777	1.450	68	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-2:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]O)(C[6]C[6])(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]O)(C[6]C[6])(OC){2|C<3>,2|H<1>}	117.3430	0.000	1	117.2703	0.008	3	117.5797	0.092	7	117.5777	1.450	68	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:N[6]-2:O-2:	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]C[6,6]H)(N[6]C[6])(OC)	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]C[6,6]H)(N[6]C[6])(OC){1|C<3>,1|H<1>,1|N<3>}	118.8300	0.447	4	118.8300	0.200	4	117.8655	0.709	35	117.5777	1.450	68	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:N[6]-2:O-2:	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]2)(N[6]C[6])(OC)	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]2)(N[6]C[6])(OC){1|Ir<6>,1|C<3>,1|O<2>,2|N<3>}	118.8520	0.000	1	118.8520	0.000	1	117.8655	0.709	35	117.5777	1.450	68	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:N[6]-2:O-2:	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6])(OC)	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6])(OC){1|C<4>,2|N<3>}	117.3710	1.148	7	117.7315	0.620	29	117.8655	0.709	35	117.5777	1.450	68	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:N[6]-2:O-2:	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6])(OC)	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6])(OC){1|N<3>,1|O<2>,1|S<2>}	116.1460	0.000	1	117.7315	0.620	29	117.8655	0.709	35	117.5777	1.450	68	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:N[6]-2:O-2:	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6])(OC)	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6])(OC){1|O<2>,2|N<3>}	117.9272	0.512	21	117.7315	0.620	29	117.8655	0.709	35	117.5777	1.450	68	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:N[6]-2:O-2:	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(N[6]N[6])(OC)	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(N[6]N[6])(OC){1|Pd<4>,1|C<3>,1|H<1>}	116.9050	0.000	1	116.9050	0.000	1	117.8655	0.709	35	117.5777	1.450	68	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:O[6]-2:O-2:	O(C[6]C[6]O[6])(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]C)(O[6]B[6])(OC)	O(C[6]C[6]O[6])(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]C)(O[6]B[6])(OC){1|C<4>,1|H<1>,3|C<3>}	118.4070	0.000	1	118.4070	0.000	1	118.5163	1.082	10	117.5777	1.450	68	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:O[6]-2:O-2:	O(C[6]C[6]O[6])(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(O[6]C[6])(OC)	O(C[6]C[6]O[6])(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(O[6]C[6])(OC){1|C<3>,1|C<4>,1|H<1>}	117.3830	0.000	1	118.7142	2.940	4	118.5163	1.082	10	117.5777	1.450	68	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:O[6]-2:O-2:	O(C[6]C[6]O[6])(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(O[6]C[6])(OC)	O(C[6]C[6]O[6])(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(O[6]C[6])(OC){1|H<1>,2|C<3>}	119.4080	2.466	2	118.7142	2.940	4	118.5163	1.082	10	117.5777	1.450	68	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:O[6]-2:O-2:	O(C[6]C[6]O[6])(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(O[6]C[6])(OC)	O(C[6]C[6]O[6])(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(O[6]C[6])(OC){3|C<3>}	118.6580	0.000	1	118.7142	2.940	4	118.5163	1.082	10	117.5777	1.450	68	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:O[6]-2:O-2:	O(C[6]C[6]O[6])(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(O[6]Ge[6])(OC)	O(C[6]C[6]O[6])(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(O[6]Ge[6])(OC){1|C<4>,1|H<1>,3|C<3>}	118.5460	0.000	1	118.5460	0.000	1	118.5163	1.082	10	117.5777	1.450	68	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:O[6]-2:O-2:	O(C[6]C[6]O[6])(CH3)	C(OC[6])(H)3	C[6](C[6]C[6a]C[6])(O[6]B[6])(OC)	O(C[6]C[6]O[6])(CH3)	C(OC[6])(H)3	C[6](C[6]C[6a]C[6])(O[6]B[6])(OC){2|O<2>,4|C<3>}	118.3383	0.455	4	118.3383	0.207	4	118.5163	1.082	10	117.5777	1.450	68	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	N[6,6]-3:N[6]-2:O-2:	O(C[6]N[6,6]N[6])(CH3)	C(OC[6])(H)3	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(OC)	O(C[6]N[6,6]N[6])(CH3)	C(OC[6])(H)3	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(OC){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	117.2500	0.000	1	117.2500	0.000	1	117.2500	0.000	1	117.5777	1.450	68	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	N[6]-3:N[6]-2:O-2:	O(C[6]N[6]2)(CH3)	C(OC[6])(H)3	C[6](N[6]C[6]C)(N[6]C[6])(OC)	O(C[6]N[6]2)(CH3)	C(OC[6])(H)3	C[6](N[6]C[6]C)(N[6]C[6])(OC){1|N<2>,1|O<2>,1|S<1>}	115.7760	0.000	1	115.3653	0.127	3	116.1016	0.785	8	117.5777	1.450	68	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	N[6]-3:N[6]-2:O-2:	O(C[6]N[6]2)(CH3)	C(OC[6])(H)3	C[6](N[6]C[6]C)(N[6]C[6])(OC)	O(C[6]N[6]2)(CH3)	C(OC[6])(H)3	C[6](N[6]C[6]C)(N[6]C[6])(OC){1|N<2>,1|S<1>,1|S<2>}	115.1600	0.006	2	115.3653	0.127	3	116.1016	0.785	8	117.5777	1.450	68	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	N[6]-3:N[6]-2:O-2:	O(C[6]N[6]2)(CH3)	C(OC[6])(H)3	C[6](N[6]C[6]F)(N[6]C[6])(OC)	O(C[6]N[6]2)(CH3)	C(OC[6])(H)3	C[6](N[6]C[6]F)(N[6]C[6])(OC){1|N<2>,2|O<2>}	116.1120	0.055	2	116.1120	0.003	2	116.1016	0.785	8	117.5777	1.450	68	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	N[6]-3:N[6]-2:O-2:	O(C[6]N[6]2)(CH3)	C(OC[6])(H)3	C[6](N[6]C[6]H)(N[6]C[6])(OC)	O(C[6]N[6]2)(CH3)	C(OC[6])(H)3	C[6](N[6]C[6]H)(N[6]C[6])(OC){1|Ir<6>,1|C<3>,1|O<2>}	117.8200	0.000	1	117.8200	0.000	1	116.1016	0.785	8	117.5777	1.450	68	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	N[6]-3:N[6]-2:O-2:	O(C[6]N[6]2)(CH3)	C(OC[6])(H)3	C[6](N[6]C[6a]C[6])(N[6]C[5a,6])(OC)	O(C[6]N[6]2)(CH3)	C(OC[6])(H)3	C[6](N[6]C[6a]C[6])(N[6]C[5a,6])(OC){1|N<2>,1|N<3>,3|C<3>}	116.3365	0.743	2	116.3365	0.552	2	116.1016	0.785	8	117.5777	1.450	68	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:O-2:	O(C[6]C[5,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]O)(OC)	O(C[6]C[5,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]O)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	118.3470	0.000	1	118.3470	0.000	1	117.3997	1.860	4	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:O-2:	O(C[6]C[5,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[5,6]C[5,6]2)(C[6]C[6]H)(OC)	O(C[6]C[5,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[5,6]C[5,6]2)(C[6]C[6]H)(OC){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	117.7680	0.000	1	117.7680	0.000	1	117.3997	1.860	4	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:O-2:	O(C[6]C[5,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]O)(OC)	O(C[6]C[5,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]O)(OC){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	115.3850	0.000	1	116.7420	3.683	2	117.3997	1.860	4	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:O-2:	O(C[6]C[5,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]O)(OC)	O(C[6]C[5,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]O)(OC){1|C<4>,1|O<1>,2|C<3>}	118.0990	0.000	1	116.7420	3.683	2	117.3997	1.860	4	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6]-3:C[5a,6]-3:O-2:	O(C[6]C[5a,6]2)(CH3)	C(OC[6])(H)3	C[6](C[5a,6]N[5a,6]C[5a])2(OC)	O(C[6]C[5a,6]2)(CH3)	C(OC[6])(H)3	C[6](C[5a,6]N[5a,6]C[5a])2(OC){1|B<4>,2|H<1>,4|C<3>}	123.3030	0.000	1	123.3030	0.000	1	123.3030	0.000	1	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6]-3:C[6]-3:O-2:	O(C[6]C[5a,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]H)(OC)	O(C[6]C[5a,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]H)(OC){1|C<4>,1|N<3>,3|C<3>}	116.0630	0.000	1	116.0630	0.000	1	116.0630	0.000	1	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:O-2:	O(C[6]C[6,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[6,6]C[6,6,6a]C[5,6])(C[6]C[6,6a]O)(OC)	O(C[6]C[6,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[6,6]C[6,6,6a]C[5,6])(C[6]C[6,6a]O)(OC){1|H<1>,2|C<4>,3|C<3>}	115.3833	0.667	3	115.3833	0.445	3	115.9270	1.479	4	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6]-3:C[6]-3:O-2:	O(C[6]C[6,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(OC)	O(C[6]C[6,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(OC){1|C<3>,1|O<1>,2|C<4>}	117.5580	0.000	1	117.5580	0.000	1	115.9270	1.479	4	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6,6]-3:O-2:	O(C[6]C[6,6a]C[6,6])(CH3)	C(OC[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(OC)	O(C[6]C[6,6a]C[6,6])(CH3)	C(OC[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(OC){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	113.3750	0.000	1	113.3750	0.000	1	113.3750	0.000	1	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:O-2:	O(C[6]C[6,6a]C[6])(CH3)	C(OC[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]H)(OC)	O(C[6]C[6,6a]C[6])(CH3)	C(OC[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]H)(OC){1|H<1>,2|C<4>,3|C<3>}	116.9573	0.362	4	116.9573	0.131	4	117.2861	1.391	14	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:O-2:	O(C[6]C[6,6a]C[6])(CH3)	C(OC[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(OC)	O(C[6]C[6,6a]C[6])(CH3)	C(OC[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(OC){1|H<1>,2|N<3>,3|C<3>}	116.8700	0.000	1	116.8700	0.000	1	117.2861	1.391	14	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:O-2:	O(C[6]C[6,6a]C[6])(CH3)	C(OC[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OC)	O(C[6]C[6,6a]C[6])(CH3)	C(OC[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OC){1|C<4>,2|C<3>,3|H<1>}	114.5320	0.000	1	114.5320	0.000	1	117.2861	1.391	14	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:O-2:	O(C[6]C[6,6a]C[6])(CH3)	C(OC[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC)	O(C[6]C[6,6a]C[6])(CH3)	C(OC[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC){1|H<1>,1|N<3>,3|C<3>}	117.6993	0.933	3	117.8469	0.998	8	117.2861	1.391	14	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:O-2:	O(C[6]C[6,6a]C[6])(CH3)	C(OC[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC)	O(C[6]C[6,6a]C[6])(CH3)	C(OC[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC){1|H<1>,4|C<3>}	117.7035	1.164	4	117.8469	0.998	8	117.2861	1.391	14	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:O-2:	O(C[6]C[6,6a]C[6])(CH3)	C(OC[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC)	O(C[6]C[6,6a]C[6])(CH3)	C(OC[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC){1|N<2>,1|O<1>,3|C<3>}	118.8630	0.000	1	117.8469	0.998	8	117.2861	1.391	14	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[3,5,6]H)(C[6]C[6]C)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[3,5,6]H)(C[6]C[6]C)(OC){1|H<1>,3|C<4>}	116.8930	0.000	1	116.8930	0.000	1	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[3x6]H)(C[6]C[5,6]O)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[3x6]H)(C[6]C[5,6]O)(OC){1|O<2>,2|C<4>,2|H<1>}	115.7430	0.000	1	115.7430	0.000	1	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[3x6]H)(C[6]C[6]O)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[3x6]H)(C[6]C[6]O)(OC){1|C<3>,2|C<4>,2|H<1>}	116.2017	0.830	3	116.3372	0.673	14	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[3x6]H)(C[6]C[6]O)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[3x6]H)(C[6]C[6]O)(OC){1|C<4>,1|H<1>,2|C<3>}	115.9550	0.000	1	116.3372	0.673	14	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[3x6]H)(C[6]C[6]O)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[3x6]H)(C[6]C[6]O)(OC){2|C<4>,3|H<1>}	116.4161	0.888	10	116.3372	0.673	14	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(OC){1|C<3>,1|H<1>,2|C<4>}	115.6310	0.000	1	115.6310	0.000	1	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[5,6,6]O)(C[6]C[6]H)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[5,6,6]O)(C[6]C[6]H)(OC){1|H<1>,1|O<1>,2|C<4>}	116.2540	0.000	1	116.7790	0.551	2	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[5,6,6]O)(C[6]C[6]H)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[5,6,6]O)(C[6]C[6]H)(OC){1|O<1>,1|S<3>,2|C<4>}	117.3040	0.000	1	116.7790	0.551	2	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(OC){1|C<3>,1|H<1>,3|C<4>}	115.2620	0.000	1	115.2620	0.000	1	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(OC){1|C<3>,2|C<4>,2|H<1>}	115.9600	0.000	1	115.9600	0.000	1	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]H)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]H)(OC){1|C<4>,1|H<1>,1|N<3>}	118.7430	0.000	1	116.8000	2.850	3	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]H)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]H)(OC){1|C<4>,1|S<2>,2|H<1>}	115.8285	0.193	2	116.8000	2.850	3	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]O)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]O)(OC){1|C<3>,1|O<2>,2|C<4>}	116.7265	0.876	2	116.3992	0.401	4	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]O)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]O)(OC){1|C<4>,1|H<1>,2|C<3>}	116.0080	0.000	1	116.3992	0.401	4	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]O)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[5,6]H)(C[6]C[6]O)(OC){1|H<1>,1|O<2>,2|C<3>}	116.1360	0.000	1	116.3992	0.401	4	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[5,6]H)(C[6]N[5,6]O)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[5,6]H)(C[6]N[5,6]O)(OC){2|C<3>,2|C<4>}	115.1760	0.000	1	115.1760	0.000	1	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(OC){1|O<1>,4|C<3>}	120.3195	2.581	4	120.3195	6.662	4	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(OC){1|H<1>,1|O<2>,3|C<4>}	116.0030	0.266	3	116.0030	0.071	3	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]H)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]H)(OC){1|C<3>,1|H<1>,2|C<4>}	117.0860	0.000	1	117.0860	0.000	1	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC){1|C<3>,1|C<4>,2|H<1>}	116.0560	0.000	1	116.2607	0.812	13	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC){1|C<3>,1|C<4>}	116.4350	0.000	1	116.2607	0.812	13	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC){1|C<3>,1|H<1>,2|C<4>}	117.0665	0.339	2	116.2607	0.812	13	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC){1|C<4>,1|H<1>,2|C<3>}	115.8510	1.200	5	116.2607	0.812	13	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC){1|C<4>,1|O<2>,2|C<3>}	115.8505	0.384	2	116.2607	0.812	13	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC){2|C<3>,2|C<4>}	116.9045	0.582	2	116.2607	0.812	13	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]C)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]C)(OC){1|C<3>,1|C<4>,1|O<1>}	121.1580	0.000	1	121.1580	0.000	1	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]H)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]H)(OC){1|C<3>,1|C<4>,1|O<1>}	116.5210	0.214	3	116.8054	0.406	5	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]H)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]H)(OC){1|C<4>,2|C<3>}	117.9120	0.000	1	116.8054	0.406	5	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]H)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]H)(OC){1|O<1>,2|C<3>}	116.5520	0.000	1	116.8054	0.406	5	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]O)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6,6]O)(C[6]C[6]O)(OC){1|C<4>,2|H<1>,2|O<2>}	112.5770	0.000	1	112.5770	0.000	1	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(OC){1|O<1>,2|C<3>}	117.0380	0.201	2	117.0380	0.040	2	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6,6]C)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6,6]C)(OC){1|C<4>,1|H<1>,2|C<3>}	115.9460	1.457	2	115.9460	2.122	2	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(OC){1|O<1>,2|C<3>}	116.4060	0.574	2	116.4060	0.330	2	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]2)(C[6]C[6]H)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]2)(C[6]C[6]H)(OC){1|C<2>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	117.5820	0.000	1	117.5820	0.000	1	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]Br)(C[6]C[6]O)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]Br)(C[6]C[6]O)(OC){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	115.9410	0.000	1	119.9105	31.514	2	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]Br)(C[6]C[6]O)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]Br)(C[6]C[6]O)(OC){1|Br<1>,1|C<3>,1|O<1>}	123.8800	0.000	1	119.9105	31.514	2	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]Br)2(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]Br)2(OC){1|C<4>,1|O<2>,2|H<1>}	114.3920	1.097	3	114.3920	1.202	3	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(OC){1|C<3>,1|H<1>,1|O<1>}	118.5050	1.036	3	118.7722	2.844	5	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(OC){1|C<3>,1|O<1>,1|O<2>}	117.0880	0.000	1	118.7722	2.844	5	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]C)(C[6]C[6]H)(OC){2|C<3>,2|H<1>}	121.2580	0.000	1	118.7722	2.844	5	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]C)(C[6]C[6]O)(OC){1|O<1>,2|C<3>}	125.7370	0.000	1	125.7370	0.000	1	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]C)2(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]C)2(OC){1|C<3>,1|C<4>,1|O<1>}	119.1480	0.000	1	115.2871	7.461	42	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]C)2(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]C)2(OC){1|C<3>,2|H<1>}	113.1155	0.575	2	115.2871	7.461	42	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]C)2(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]C)2(OC){1|C<4>,1|H<1>,1|N<3>}	115.3514	2.805	35	115.2871	7.461	42	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]C)2(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]C)2(OC){1|C<4>,1|N<3>,1|O<1>}	114.9777	2.516	3	115.2871	7.461	42	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]C)2(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]C)2(OC){1|C<4>,2|H<1>}	114.4460	0.000	1	115.2871	7.461	42	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]Cl)(C[6]C[6]H)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]Cl)(C[6]C[6]H)(OC){1|C<3>,1|C<4>,1|O<1>}	120.5675	0.271	2	120.5675	0.073	2	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OC){1|C<3>,1|O<1>,1|O<2>}	122.2270	0.000	1	122.2270	0.000	1	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(C[6]C[6]N)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(C[6]C[6]N)(OC){1|C<2>,2|H<1>}	118.2780	0.000	1	118.0510	0.255	3	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(C[6]C[6]N)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(C[6]C[6]N)(OC){1|H<1>,2|C<3>}	117.4720	0.000	1	118.0510	0.255	3	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(C[6]C[6]N)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(C[6]C[6]N)(OC){1|N<3>,2|H<1>}	118.4030	0.000	1	118.0510	0.255	3	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|Br<1>,1|C<2>,1|C<3>}	118.2790	0.000	1	116.3784	7.293	32	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|Br<1>,2|C<3>}	116.9650	0.458	3	116.3784	7.293	32	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|C<2>,1|C<4>,1|O<2>}	116.9610	0.000	1	116.3784	7.293	32	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|C<3>,1|C<4>,1|O<1>}	115.7065	0.319	2	116.3784	7.293	32	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|C<3>,1|H<1>,1|N<3>}	102.1410	0.000	1	116.3784	7.293	32	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|C<3>,1|H<1>,1|O<1>}	116.3885	0.974	2	116.3784	7.293	32	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|C<4>,1|H<1>,1|N<3>}	117.3210	0.000	1	116.3784	7.293	32	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|C<4>,1|H<1>,1|O<2>}	118.1230	0.000	1	116.3784	7.293	32	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|C<4>,1|O<2>,3|H<1>}	116.3660	0.000	1	116.3784	7.293	32	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|C<4>,1|S<2>}	116.3750	0.000	1	116.3784	7.293	32	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|C<4>,2|C<3>}	116.5990	0.000	1	116.3784	7.293	32	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|H<1>,2|C<3>}	116.6796	0.569	8	116.3784	7.293	32	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|N<2>,2|C<3>}	117.6264	0.289	5	116.3784	7.293	32	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|N<3>,2|C<3>}	116.6030	0.000	1	116.3784	7.293	32	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|O<2>,2|C<3>}	116.1120	0.857	2	116.3784	7.293	32	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|Pd<5>,1|C<3>,1|C<5>,1|H<1>}	116.4620	0.000	1	116.3784	7.293	32	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(C[6]C[6]P)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(C[6]C[6]P)(OC){1|C<3>,1|H<1>}	118.5540	0.000	1	118.5540	0.000	1	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(OC){1|Co<6>,1|C<2>,1|C<3>}	117.8110	0.000	1	117.4767	0.106	3	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(C[6]N[6]H)(OC){1|Pt<6>,1|C<3>,1|H<1>}	117.3095	0.210	2	117.4767	0.106	3	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)2(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)2(OC){1|C<3>,1|C<4>,1|O<1>}	117.4820	0.000	1	117.5868	1.318	184	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)2(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	117.7116	1.478	80	117.5868	1.318	184	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)2(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)2(OC){1|C<3>,1|H<1>,1|O<1>}	117.7481	0.715	7	117.5868	1.318	184	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)2(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)2(OC){1|C<3>,1|H<1>}	117.9510	0.093	2	117.5868	1.318	184	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)2(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)2(OC){1|C<3>,1|O<1>,1|O<2>}	117.7270	0.000	1	117.5868	1.318	184	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)2(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)2(OC){1|C<3>,3|C<4>}	116.0880	0.400	6	117.5868	1.318	184	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)2(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)2(OC){1|C<4>,1|H<1>,1|N<3>}	117.3542	0.555	6	117.5868	1.318	184	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)2(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)2(OC){1|C<4>,1|H<1>,1|O<1>}	117.7920	0.000	1	117.5868	1.318	184	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)2(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)2(OC){1|C<4>,2|C<3>}	117.4440	0.000	1	117.5868	1.318	184	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)2(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)2(OC){1|C<4>,2|H<1>}	117.5490	0.000	1	117.5868	1.318	184	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)2(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)2(OC){1|H<1>,1|N<2>,1|N<3>}	117.2156	0.668	13	117.5868	1.318	184	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)2(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)2(OC){1|H<1>,2|N<3>}	117.5013	0.419	3	117.5868	1.318	184	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)2(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)2(OC){1|N<3>,2|C<3>}	117.7302	0.557	12	117.5868	1.318	184	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)2(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)2(OC){1|N<3>,2|C<4>}	117.5244	0.655	5	117.5868	1.318	184	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)2(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)2(OC){1|N<3>,2|H<1>}	117.8503	0.780	34	117.5868	1.318	184	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)2(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)2(OC){1|Ni<4>,1|C<4>,2|H<1>}	116.9090	0.000	1	117.5868	1.318	184	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)2(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)2(OC){1|Pt<6>,3|C<4>}	116.9240	0.000	1	117.5868	1.318	184	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)2(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)2(OC){1|Ru<10>,1|C<4>,1|H<1>,1|N<4>}	116.5140	0.000	1	117.5868	1.318	184	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)2(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)2(OC){1|Ru<10>,1|H<1>,2|C<4>}	117.2420	0.376	2	117.5868	1.318	184	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)2(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)2(OC){1|Ru<5>,1|Ru<7>,1|C<4>,1|H<1>}	117.6970	0.000	1	117.5868	1.318	184	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)2(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)2(OC){1|Ta<12>,1|C<4>,1|H<1>,1|N<3>}	117.4865	0.093	2	117.5868	1.318	184	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)2(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)2(OC){1|Y<14>,1|C<4>,1|H<1>,1|H<2>}	117.0680	0.000	1	117.5868	1.318	184	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)2(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)2(OC){2|C<3>}	114.5230	0.000	1	117.5868	1.318	184	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)2(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)2(OC){3|N<3>}	117.5590	0.000	1	117.5868	1.318	184	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]I)(C[6]C[6]O)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]I)(C[6]C[6]O)(OC){1|C<3>,1|H<1>,1|O<1>}	123.7450	0.000	1	123.7450	0.000	1	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]O)(C[6]N[6]H)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]O)(C[6]N[6]H)(OC){1|C<3>,2|H<1>}	116.3810	0.000	1	116.3810	0.000	1	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]O)2(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]O)2(OC){1|Br<1>,1|C<3>,1|O<1>}	118.0520	4.332	2	117.5151	21.271	10	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]O)2(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]O)2(OC){1|C<3>,2|O<1>}	125.1075	0.938	2	117.5151	21.271	10	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]O)2(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]O)2(OC){1|H<1>,2|C<4>,2|O<2>}	115.9470	0.000	1	117.5151	21.271	10	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]O)2(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]O)2(OC){1|O<2>,2|C<4>,2|H<1>}	114.5770	1.605	5	117.5151	21.271	10	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]Zr)(C[6]C[6]H)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]Zr)(C[6]C[6]H)(OC){1|C<3>,1|H<1>,1|O<3>}	118.7000	0.000	1	118.7000	0.000	1	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(OC){1|C<4>,1|O<1>,3|C<3>}	119.0760	0.000	1	119.0760	0.000	1	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]N[6]H)(C[6]N[6]O)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]N[6]H)(C[6]N[6]O)(OC){1|C<3>,2|H<1>}	115.2380	0.000	1	115.2380	0.000	1	117.1127	4.526	358	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:N[6]-3:O-2:	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]C[6,6a]H)(N[6]C[6]S)(OC)	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]C[6,6a]H)(N[6]C[6]S)(OC){1|H<1>,1|O<2>,2|C<3>}	117.2690	0.000	1	117.2690	0.000	1	117.1359	0.420	28	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:N[6]-3:O-2:	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]C)(OC)	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]C)(OC){1|C<3>,2|H<1>}	117.2900	0.000	1	117.2900	0.000	1	117.1359	0.420	28	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:N[6]-3:O-2:	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(OC)	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(OC){1|C<3>,2|H<1>}	117.2470	0.000	1	116.9816	0.212	24	117.1359	0.420	28	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:N[6]-3:O-2:	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(OC)	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(OC){1|Ir<6>,1|C<3>,1|H<1>}	116.5970	0.000	1	116.9816	0.212	24	117.1359	0.420	28	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:N[6]-3:O-2:	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(OC)	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(OC){1|N<2>,1|N<3>,1|O<2>}	116.9916	0.482	21	116.9816	0.212	24	117.1359	0.420	28	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:N[6]-3:O-2:	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(OC)	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(OC){1|N<2>,1|O<2>,1|S<2>}	116.8910	0.000	1	116.9816	0.212	24	117.1359	0.420	28	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:N[6]-3:O-2:	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]I)(OC)	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]I)(OC){1|C<3>,2|H<1>}	118.8440	0.146	2	118.8440	0.021	2	117.1359	0.420	28	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	N[5,6]-3:C[6]-3:O-2:	O(C[6]N[5,6]C[6])(CH3)	C(OC[6])(H)3	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]C)(OC)	O(C[6]N[5,6]C[6])(CH3)	C(OC[6])(H)3	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]C)(OC){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	115.3630	0.103	2	115.3630	0.011	2	115.3630	0.011	2	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	N[6]-3:C[6]-3:O-2:	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](N[6]C[5,6]Cu)(C[6]C[6]H)(OC)	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](N[6]C[5,6]Cu)(C[6]C[6]H)(OC){1|C<3>,1|H<1>,1|N<3>}	117.0380	0.000	1	117.0380	0.000	1	118.1985	1.106	65	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	N[6]-3:C[6]-3:O-2:	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(OC)	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(OC){1|H<1>,2|C<3>}	118.8050	0.556	5	118.8050	0.309	5	118.1985	1.106	65	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	N[6]-3:C[6]-3:O-2:	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](N[6]C[6]Al)(C[6]C[6]H)(OC)	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](N[6]C[6]Al)(C[6]C[6]H)(OC){1|C<3>,1|C<4>,1|H<1>}	117.8240	0.000	1	117.8240	0.000	1	118.1985	1.106	65	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	N[6]-3:C[6]-3:O-2:	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](N[6]C[6]Cd)(C[6]C[6]H)(OC)	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](N[6]C[6]Cd)(C[6]C[6]H)(OC){1|H<1>,2|C<3>}	118.7248	0.968	6	118.7248	0.937	6	118.1985	1.106	65	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	N[6]-3:C[6]-3:O-2:	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(OC)	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(OC){1|C<3>,1|C<4>,1|H<1>}	117.9513	0.865	7	117.8333	0.411	15	118.1985	1.106	65	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	N[6]-3:C[6]-3:O-2:	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(OC)	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(OC){1|C<3>,2|H<1>}	117.4120	0.185	2	117.8333	0.411	15	118.1985	1.106	65	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	N[6]-3:C[6]-3:O-2:	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(OC)	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(OC){1|H<1>,2|C<3>}	117.8360	0.393	6	117.8333	0.411	15	118.1985	1.106	65	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	N[6]-3:C[6]-3:O-2:	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](N[6]C[6]Cu)(C[6]N[6]H)(OC)	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](N[6]C[6]Cu)(C[6]N[6]H)(OC){1|Cu<4>,1|C<3>,1|H<1>}	116.9270	0.000	1	116.9270	0.000	1	118.1985	1.106	65	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	N[6]-3:C[6]-3:O-2:	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]H)(OC)	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]H)(OC){1|C<3>,1|C<4>,1|H<1>}	118.5890	1.015	2	118.0190	1.490	3	118.1985	1.106	65	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	N[6]-3:C[6]-3:O-2:	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]H)(OC)	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]H)(OC){1|H<1>,2|C<3>}	116.8790	0.000	1	118.0190	1.490	3	118.1985	1.106	65	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	N[6]-3:C[6]-3:O-2:	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](N[6]C[6]Ir)(C[6]C[6]H)(OC)	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](N[6]C[6]Ir)(C[6]C[6]H)(OC){1|H<1>,2|C<3>}	117.4595	0.241	2	117.4595	0.058	2	118.1985	1.106	65	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	N[6]-3:C[6]-3:O-2:	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](N[6]C[6]Mn)(C[6]C[6]H)(OC)	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](N[6]C[6]Mn)(C[6]C[6]H)(OC){1|C<3>,1|C<4>,1|H<1>}	117.7480	0.181	2	117.8546	0.183	8	118.1985	1.106	65	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	N[6]-3:C[6]-3:O-2:	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](N[6]C[6]Mn)(C[6]C[6]H)(OC)	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](N[6]C[6]Mn)(C[6]C[6]H)(OC){1|H<1>,2|C<3>}	117.9884	0.482	5	117.8546	0.183	8	118.1985	1.106	65	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	N[6]-3:C[6]-3:O-2:	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](N[6]C[6]Mn)(C[6]C[6]H)(OC)	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](N[6]C[6]Mn)(C[6]C[6]H)(OC){1|Mn<9>,1|C<4>,1|N<3>,1|N<4>}	117.3990	0.000	1	117.8546	0.183	8	118.1985	1.106	65	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	N[6]-3:C[6]-3:O-2:	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](N[6]C[6]Pt)(C[6]C[6]H)(OC)	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](N[6]C[6]Pt)(C[6]C[6]H)(OC){1|C<3>,2|H<1>}	115.1890	0.000	1	116.8530	2.367	3	118.1985	1.106	65	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	N[6]-3:C[6]-3:O-2:	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](N[6]C[6]Pt)(C[6]C[6]H)(OC)	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](N[6]C[6]Pt)(C[6]C[6]H)(OC){1|H<1>,2|C<3>}	117.6850	0.762	2	116.8530	2.367	3	118.1985	1.106	65	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	N[6]-3:C[6]-3:O-2:	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](N[6]C[6]Ru)(C[6]C[6]H)(OC)	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](N[6]C[6]Ru)(C[6]C[6]H)(OC){1|H<1>,2|C<3>}	119.2000	0.898	3	119.2000	0.806	3	118.1985	1.106	65	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	N[6]-3:C[6]-3:O-2:	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](N[6]C[6]Sn)(C[6]C[6]H)(OC)	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](N[6]C[6]Sn)(C[6]C[6]H)(OC){1|H<1>,2|C<3>}	120.8330	1.766	2	120.8330	3.120	2	118.1985	1.106	65	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	N[6]-3:C[6]-3:O-2:	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]H)(OC)	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]H)(OC){1|H<1>,2|C<3>}	118.3737	0.918	15	118.3737	0.843	15	118.1985	1.106	65	117.2549	3.897	478	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:4:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-4:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[3x6]H)(C[6]C[6]HO)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[3x6]H)(C[6]C[6]HO)(OC){2|C<4>,3|H<1>}	116.7170	0.000	1	116.7170	0.000	1	117.0128	0.285	5	117.0128	0.285	5	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	3:4:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-4:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(OC){1|C<3>,1|O<1>,1|O<2>}	117.0867	0.586	4	117.0867	0.343	4	117.0128	0.285	5	117.0128	0.285	5	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[3,5,6]-4:O[6]-2:O-2:	O(C[6]C[3,5,6]O[6])(CH3)	C(OC[6])(H)3	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(O[6]B[6])(OC)	O(C[6]C[3,5,6]O[6])(CH3)	C(OC[6])(H)3	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(O[6]B[6])(OC){1|H<1>,1|P<4>,3|C<3>,3|C<4>}	117.4020	0.000	1	117.4020	0.000	1	117.4020	0.000	1	116.3068	0.678	59	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6]-4:N[6]-2:O-2:	O(C[6]C[5,6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[4,6])(OC)	O(C[6]C[5,6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[4,6])(OC){1|C<2>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	118.5710	0.000	1	117.6555	1.676	2	116.2832	1.301	9	116.3068	0.678	59	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6]-4:N[6]-2:O-2:	O(C[6]C[5,6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[4,6])(OC)	O(C[6]C[5,6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[4,6])(OC){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	116.7400	0.000	1	117.6555	1.676	2	116.2832	1.301	9	116.3068	0.678	59	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6]-4:N[6]-2:O-2:	O(C[6]C[5,6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[5,6]C[5]2N[6])(N[6]C[6])(OC)	O(C[6]C[5,6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[5,6]C[5]2N[6])(N[6]C[6])(OC){1|C<4>,3|C<3>,5|H<1>}	116.5080	1.107	2	116.5080	1.226	2	116.2832	1.301	9	116.3068	0.678	59	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6]-4:N[6]-2:O-2:	O(C[6]C[5,6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[5,6]C[5]N[5]O[6])(N[6]C[6,6a])(OC)	O(C[6]C[5,6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[5,6]C[5]N[5]O[6])(N[6]C[6,6a])(OC){3|C<4>,4|C<3>}	115.8650	0.000	1	115.8650	0.000	1	116.2832	1.301	9	116.3068	0.678	59	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6]-4:N[6]-2:O-2:	O(C[6]C[5,6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[5,6]C[5]N[6]O[5])(N[6]C[6])(OC)	O(C[6]C[5,6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[5,6]C[5]N[6]O[5])(N[6]C[6])(OC){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	116.3510	0.000	1	116.3510	0.000	1	116.2832	1.301	9	116.3068	0.678	59	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6]-4:N[6]-2:O-2:	O(C[6]C[5,6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6])(OC)	O(C[6]C[5,6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6])(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	115.0435	0.504	2	115.0435	0.254	2	116.2832	1.301	9	116.3068	0.678	59	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6]-4:N[6]-2:O-2:	O(C[6]C[5,6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6])(OC)	O(C[6]C[5,6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6])(OC){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	115.9190	0.000	1	115.9190	0.000	1	116.2832	1.301	9	116.3068	0.678	59	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6]-4:N[6]-2:O-2:	O(C[6]C[6,6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6,6]C[6]2N[6])(N[6]C[6])(OC)	O(C[6]C[6,6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6,6]C[6]2N[6])(N[6]C[6])(OC){2|C<3>,2|C<4>,5|H<1>}	116.0635	0.186	2	116.0635	0.035	2	116.0635	0.035	2	116.3068	0.678	59	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:N[6]-2:O-2:	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]C[5]N[6]C)(N[6]C[6])(OC)	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]C[5]N[6]C)(N[6]C[6])(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	115.0850	1.803	2	115.0850	3.251	2	116.1716	0.371	43	116.3068	0.678	59	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:N[6]-2:O-2:	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]HH)(N[6]C[6])(OC)	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]HH)(N[6]C[6])(OC){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	116.1110	0.000	1	116.1110	0.000	1	116.1716	0.371	43	116.3068	0.678	59	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:N[6]-2:O-2:	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]HW)(N[6]C[6])(OC)	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]HW)(N[6]C[6])(OC){1|C<4>,1|O<2>,2|H<1>}	116.2400	0.000	1	116.2400	0.000	1	116.1716	0.371	43	116.3068	0.678	59	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:N[6]-2:O-2:	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]C[6a]N[6]H)(N[6]C[6])(OC)	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]C[6a]N[6]H)(N[6]C[6])(OC){1|H<1>,4|C<3>}	116.5490	0.530	3	116.5490	0.281	3	116.1716	0.371	43	116.3068	0.678	59	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:N[6]-2:O-2:	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]N[6]CC)(N[6]C[6])(OC)	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]N[6]CC)(N[6]C[6])(OC){1|C<3>,2|C<4>}	116.1690	1.022	2	116.1690	1.045	2	116.1716	0.371	43	116.3068	0.678	59	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:N[6]-2:O-2:	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]N[6]CH)(N[6]C[5,6])(OC)	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]N[6]CH)(N[6]C[5,6])(OC){1|C<3>,1|C<4>,1|O<2>}	116.9590	0.000	1	116.6920	0.392	3	116.1716	0.371	43	116.3068	0.678	59	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:N[6]-2:O-2:	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]N[6]CH)(N[6]C[5,6])(OC)	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]N[6]CH)(N[6]C[5,6])(OC){1|C<3>,2|C<4>}	116.5585	0.822	2	116.6920	0.392	3	116.1716	0.371	43	116.3068	0.678	59	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:N[6]-2:O-2:	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]N[6]CH)(N[6]C[6,6])(OC)	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]N[6]CH)(N[6]C[6,6])(OC){1|C<3>,2|C<4>}	115.6235	0.660	2	115.6235	0.435	2	116.1716	0.371	43	116.3068	0.678	59	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:N[6]-2:O-2:	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]N[6]CH)(N[6]C[6])(OC)	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]N[6]CH)(N[6]C[6])(OC){1|C<3>,1|C<4>,1|H<1>}	116.0616	0.258	13	116.2350	0.176	17	116.1716	0.371	43	116.3068	0.678	59	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:N[6]-2:O-2:	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]N[6]CH)(N[6]C[6])(OC)	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]N[6]CH)(N[6]C[6])(OC){1|C<3>,1|H<1>,2|C<4>}	116.2780	0.000	1	116.2350	0.176	17	116.1716	0.371	43	116.3068	0.678	59	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:N[6]-2:O-2:	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]N[6]CH)(N[6]C[6])(OC)	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]N[6]CH)(N[6]C[6])(OC){1|C<3>,2|C<4>}	116.9720	0.065	2	116.2350	0.176	17	116.1716	0.371	43	116.3068	0.678	59	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:N[6]-2:O-2:	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]N[6]CH)(N[6]C[6])(OC)	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]N[6]CH)(N[6]C[6])(OC){1|C<3>,3|C<4>}	116.9720	0.000	1	116.2350	0.176	17	116.1716	0.371	43	116.3068	0.678	59	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:N[6]-2:O-2:	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]O[6]CC)(N[6]C[3,6])(OC)	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]O[6]CC)(N[6]C[3,6])(OC){1|C<3>,2|C<4>}	116.2050	0.646	2	116.2050	0.418	2	116.1716	0.371	43	116.3068	0.678	59	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:N[6]-2:O-2:	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]O[6]CC)(N[6]C[5,6])(OC)	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]O[6]CC)(N[6]C[5,6])(OC){1|C<3>,2|C<4>}	115.7280	0.154	2	115.7280	0.024	2	116.1716	0.371	43	116.3068	0.678	59	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:N[6]-2:O-2:	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]O[6]CH)(N[6]C[6])(OC)	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]O[6]CH)(N[6]C[6])(OC){1|C<3>,1|C<4>,1|O<4>}	115.5540	0.000	1	116.2110	0.224	8	116.1716	0.371	43	116.3068	0.678	59	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:N[6]-2:O-2:	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]O[6]CH)(N[6]C[6])(OC)	O(C[6]C[6]N[6])(CH3)	C(OC[6])(H)3	C[6](C[6]O[6]CH)(N[6]C[6])(OC){1|C<3>,2|C<4>}	116.3049	0.423	7	116.2110	0.224	8	116.1716	0.371	43	116.3068	0.678	59	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-2:	O(C[6]C[6]O[6])(CH3)	C(OC[6])(H)3	C[6](C[6]C[6,6]CC)(O[6]In[6])(OC)	O(C[6]C[6]O[6])(CH3)	C(OC[6])(H)3	C[6](C[6]C[6,6]CC)(O[6]In[6])(OC){2|Br<1>,1|H<1>,2|C<4>}	118.8400	0.000	1	118.8400	0.000	1	117.6617	1.277	4	116.3068	0.678	59	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-2:	O(C[6]C[6]O[6])(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]CC)(O[6]In[6])(OC)	O(C[6]C[6]O[6])(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]CC)(O[6]In[6])(OC){2|Br<1>,1|H<1>,2|C<4>}	116.9000	0.000	1	116.9000	0.000	1	117.6617	1.277	4	116.3068	0.678	59	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:2:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:O[6]-2:O-2:	O(C[6]C[6]O[6])(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]HH)(O[6]Nb[6])(OC)	O(C[6]C[6]O[6])(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]HH)(O[6]Nb[6])(OC){3|Cl<1>,3|O<2>}	117.4535	1.333	2	117.4535	1.777	2	117.6617	1.277	4	116.3068	0.678	59	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[3,5,6]-4:C[6]-3:O-2:	O(C[6]C[3,5,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6]C[6]H)(OC)	O(C[6]C[3,5,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6]C[6]H)(OC){1|C<3>,1|O<1>,3|C<4>}	116.8940	0.000	1	116.8940	0.000	1	116.8940	0.000	1	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[3,6]-4:C[6]-3:O-2:	O(C[6]C[3,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(OC)	O(C[6]C[3,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(OC){2|C<3>,3|H<1>}	117.6860	0.000	1	117.6860	0.000	1	117.6860	0.000	1	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[4,4,6]-4:C[6]-3:O-2:	O(C[6]C[4,4,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[4,4,6]O[5x4]2C[6])(C[6]C[6,6]O)(OC)	O(C[6]C[4,4,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[4,4,6]O[5x4]2C[6])(C[6]C[6,6]O)(OC){1|C<3>,1|C<4>,1|H<1>,2|C<6>}	115.5040	0.000	1	115.5040	0.000	1	115.5040	0.000	1	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[4,6]-4:C[6]-3:O-2:	O(C[6]C[4,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[4,6]C[4,5,6,6]C[4]H)(C[6]C[6]H)(OC)	O(C[6]C[4,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[4,6]C[4,5,6,6]C[4]H)(C[6]C[6]H)(OC){1|O<1>,2|H<1>,3|C<4>}	117.6230	0.000	1	117.6230	0.000	1	117.8395	0.094	2	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[4,6]-4:C[6]-3:O-2:	O(C[6]C[4,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]H)(OC)	O(C[6]C[4,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]H)(OC){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	118.0560	0.000	1	118.0560	0.000	1	117.8395	0.094	2	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-3:O-2:	O(C[6]C[5,6,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]H)(OC)	O(C[6]C[5,6,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]H)(OC){1|C<3>,3|C<4>,4|H<1>}	115.8450	0.000	1	115.8450	0.000	1	116.4675	0.775	2	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-3:O-2:	O(C[6]C[5,6,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[5,6,6]C[6,6,6a]C[5,6]C[5])(C[6]C[6]H)(OC)	O(C[6]C[5,6,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[5,6,6]C[6,6,6a]C[5,6]C[5])(C[6]C[6]H)(OC){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	117.0900	0.000	1	117.0900	0.000	1	116.4675	0.775	2	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:O-2:	O(C[6]C[5,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]H)(OC)	O(C[6]C[5,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]H)(OC){1|C<4>,1|H<1>,3|C<3>}	115.5110	0.000	1	115.5110	0.000	1	117.4149	2.107	39	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:O-2:	O(C[6]C[5,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)(OC)	O(C[6]C[5,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)(OC){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	117.0690	0.000	1	117.0690	0.000	1	117.4149	2.107	39	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:O-2:	O(C[6]C[5,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(OC)	O(C[6]C[5,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(OC){1|O<2>,3|C<4>,4|H<1>}	114.7740	0.000	1	114.7740	0.000	1	117.4149	2.107	39	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:O-2:	O(C[6]C[5,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]H)(OC)	O(C[6]C[5,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]H)(OC){1|Si<5>,1|C<3>,1|H<1>,2|C<4>}	116.8338	0.514	5	116.8338	0.264	5	117.4149	2.107	39	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:O-2:	O(C[6]C[5,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[5,6]C[5,6]C[6]N[5])(C[6]C[6]H)(OC)	O(C[6]C[5,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[5,6]C[5,6]C[6]N[5])(C[6]C[6]H)(OC){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	117.5565	0.293	2	117.5565	0.086	2	117.4149	2.107	39	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:O-2:	O(C[6]C[5,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(OC)	O(C[6]C[5,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(OC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	124.9840	0.000	1	124.9840	0.000	1	117.4149	2.107	39	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:O-2:	O(C[6]C[5,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(OC)	O(C[6]C[5,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(OC){1|O<1>,1|O<2>,1|P<4>,2|H<1>,3|C<3>}	118.4890	0.096	2	118.4890	0.009	2	117.4149	2.107	39	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:O-2:	O(C[6]C[5,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(OC)	O(C[6]C[5,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(OC){1|C<3>,1|C<4>,1|N<3>,2|O<1>,3|H<1>}	118.0520	0.000	1	118.0520	0.000	1	117.4149	2.107	39	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:O-2:	O(C[6]C[5,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OC)	O(C[6]C[5,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OC){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	117.1525	0.040	2	117.2825	0.257	24	117.4149	2.107	39	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:O-2:	O(C[6]C[5,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OC)	O(C[6]C[5,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OC){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	117.3436	0.464	19	117.2825	0.257	24	117.4149	2.107	39	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:O-2:	O(C[6]C[5,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OC)	O(C[6]C[5,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OC){1|H<1>,2|O<1>,3|C<3>}	116.3870	0.000	1	117.2825	0.257	24	117.4149	2.107	39	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:O-2:	O(C[6]C[5,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OC)	O(C[6]C[5,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OC){2|O<1>,4|C<3>}	117.2800	1.063	2	117.2825	0.257	24	117.4149	2.107	39	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:O-2:	O(C[6]C[5,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]H)(OC)	O(C[6]C[5,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]H)(OC){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	117.7500	0.000	1	117.7500	0.000	1	117.4149	2.107	39	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O-2:	O(C[6]C[6,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OC)	O(C[6]C[6,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OC){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	121.5600	0.000	1	121.5600	0.000	1	118.0408	4.284	19	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O-2:	O(C[6]C[6,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OC)	O(C[6]C[6,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OC){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	115.5780	0.000	1	117.0612	0.724	5	118.0408	4.284	19	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O-2:	O(C[6]C[6,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OC)	O(C[6]C[6,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OC){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	117.4393	0.268	3	117.0612	0.724	5	118.0408	4.284	19	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O-2:	O(C[6]C[6,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OC)	O(C[6]C[6,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OC){2|C<4>,2|H<1>,2|O<1>}	117.4100	0.000	1	117.0612	0.724	5	118.0408	4.284	19	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O-2:	O(C[6]C[6,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6]C)(OC)	O(C[6]C[6,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6]C)(OC){1|C<3>,1|H<1>,3|C<4>}	115.8900	0.093	2	115.8900	0.009	2	118.0408	4.284	19	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O-2:	O(C[6]C[6,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]Br)(OC)	O(C[6]C[6,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]Br)(OC){1|O<1>,2|C<4>,4|H<1>}	120.6450	0.000	1	120.6450	0.000	1	118.0408	4.284	19	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O-2:	O(C[6]C[6,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OC)	O(C[6]C[6,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OC){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	116.9130	0.000	1	117.0473	0.014	3	118.0408	4.284	19	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O-2:	O(C[6]C[6,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OC)	O(C[6]C[6,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	117.1450	0.000	1	117.0473	0.014	3	118.0408	4.284	19	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O-2:	O(C[6]C[6,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OC)	O(C[6]C[6,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OC){2|O<1>,4|C<4>}	117.0840	0.000	1	117.0473	0.014	3	118.0408	4.284	19	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O-2:	O(C[6]C[6,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[6,6]C[6,6]C[6]I)(C[6]C[6]Si)(OC)	O(C[6]C[6,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[6,6]C[6,6]C[6]I)(C[6]C[6]Si)(OC){2|O<1>,4|C<4>}	117.2780	0.000	1	117.2780	0.000	1	118.0408	4.284	19	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O-2:	O(C[6]C[6,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]H)(OC)	O(C[6]C[6,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]H)(OC){1|C<3>,1|H<1>,1|O<1>,2|C<4>,3|O<2>}	118.0205	1.429	2	118.0205	2.042	2	118.0408	4.284	19	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O-2:	O(C[6]C[6,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]H)(OC)	O(C[6]C[6,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]H)(OC){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	118.4220	0.000	1	118.4220	0.000	1	118.0408	4.284	19	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O-2:	O(C[6]C[6,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[6,6]C[6]3)(C[6]C[6]H)(OC)	O(C[6]C[6,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[6,6]C[6]3)(C[6]C[6]H)(OC){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	118.3350	0.000	1	118.3195	0.000	2	118.0408	4.284	19	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O-2:	O(C[6]C[6,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[6,6]C[6]3)(C[6]C[6]H)(OC)	O(C[6]C[6,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[6,6]C[6]3)(C[6]C[6]H)(OC){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	118.3040	0.000	1	118.3195	0.000	2	118.0408	4.284	19	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O-2:	O(C[6]C[6,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]O)(OC)	O(C[6]C[6,6]C[6])(CH3)	C(OC[6])(H)3	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]O)(OC){1|H<1>,1|O<1>,4|C<4>}	123.9630	0.000	1	123.9630	0.000	1	118.0408	4.284	19	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[3,6]HO)(C[6]C[6]H)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[3,6]HO)(C[6]C[6]H)(OC){1|O<1>,1|O<2>,2|C<4>}	118.1060	0.000	1	118.1060	0.000	1	117.7471	2.748	61	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[4,5,6,6]HH)(C[6]C[6]H)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[4,5,6,6]HH)(C[6]C[6]H)(OC){1|O<1>,3|C<4>}	117.6690	1.071	2	117.6690	1.146	2	117.7471	2.748	61	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(OC){1|O<1>,1|O<2>,2|C<3>}	116.9480	0.000	1	116.9480	0.000	1	117.7471	2.748	61	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[5,6]CO)(C[6]C[5,6]H)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[5,6]CO)(C[6]C[5,6]H)(OC){1|C<3>,2|C<4>,2|H<1>}	116.5340	0.000	1	116.5340	0.000	1	117.7471	2.748	61	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[5,6]C[6]Pd)(C[6]C[6]H)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[5,6]C[6]Pd)(C[6]C[6]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	118.2280	0.000	1	118.2280	0.000	1	117.7471	2.748	61	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	115.8790	0.000	1	116.8410	1.851	2	117.7471	2.748	61	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC){1|O<1>,1|O<2>,2|C<4>}	117.8030	0.000	1	116.8410	1.851	2	117.7471	2.748	61	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]I)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]I)(OC){1|C<3>,1|C<4>,1|H<1>}	119.4840	0.000	1	119.4840	0.000	1	117.7471	2.748	61	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[5]N[6]H)(C[6]C[6]H)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[5]N[6]H)(C[6]C[6]H)(OC){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	115.5660	0.000	1	115.5660	0.000	1	117.7471	2.748	61	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[5a,6]OO)(C[6]C[6]H)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[5a,6]OO)(C[6]C[6]H)(OC){1|C<3>,1|O<1>,1|O<2>}	116.6440	0.000	1	116.6440	0.000	1	117.7471	2.748	61	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[5a]C[6]C)(C[6]C[6a]C[6])(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[5a]C[6]C)(C[6]C[6a]C[6])(OC){1|C<4>,4|C<3>,4|H<1>}	118.6540	0.000	1	118.6540	0.000	1	117.7471	2.748	61	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(OC){1|C<3>,1|O<1>,1|O<2>}	115.4645	0.781	2	115.4645	0.611	2	117.7471	2.748	61	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(OC){1|H<1>,1|O<1>,2|C<4>}	118.0110	0.926	2	118.0110	0.858	2	117.7471	2.748	61	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6,6]HH)(C[6]C[4,6]H)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6,6]HH)(C[6]C[4,6]H)(OC){2|H<1>,3|C<4>}	116.8770	0.000	1	116.8770	0.000	1	117.7471	2.748	61	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6,6]HO)(C[6]C[5,6]H)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6,6]HO)(C[6]C[5,6]H)(OC){1|C<3>,2|C<4>,2|H<1>}	117.7940	0.000	1	117.7940	0.000	1	117.7471	2.748	61	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(OC){1|H<1>,1|O<1>,2|C<4>}	117.2930	0.000	1	117.2930	0.000	1	117.7471	2.748	61	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(OC){1|C<3>,1|O<1>,1|O<2>}	117.3025	0.204	2	118.9093	7.767	3	117.7471	2.748	61	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]CC)(C[6]C[6]C)(OC){1|C<4>,2|O<1>}	122.1230	0.000	1	118.9093	7.767	3	117.7471	2.748	61	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]CC)(C[6]C[6]H)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]CC)(C[6]C[6]H)(OC){1|C<4>,2|O<1>}	117.8610	0.443	3	117.8610	0.196	3	117.7471	2.748	61	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	118.1540	0.000	1	117.4865	0.277	6	117.7471	2.748	61	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC){1|C<3>,1|C<4>,2|H<1>}	117.1510	0.000	1	117.4865	0.277	6	117.7471	2.748	61	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	117.5410	0.536	3	117.4865	0.277	6	117.7471	2.748	61	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	116.9910	0.000	1	117.4865	0.277	6	117.7471	2.748	61	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]CH)(C[6]C[6]O)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]CH)(C[6]C[6]O)(OC){1|H<1>,1|O<1>,2|C<4>}	122.3300	0.293	2	122.3300	0.086	2	117.7471	2.748	61	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]CO)(C[6]C[6]H)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]CO)(C[6]C[6]H)(OC){1|C<3>,1|O<1>,1|O<2>}	117.1655	0.134	2	117.1655	0.018	2	117.7471	2.748	61	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]CP)(C[6]C[6]H)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]CP)(C[6]C[6]H)(OC){1|C<3>,1|H<1>,1|O<2>}	117.6055	0.177	2	117.6055	0.032	2	117.7471	2.748	61	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]DyO)(C[6]C[6]H)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]DyO)(C[6]C[6]H)(OC){1|C<3>,1|C<4>,1|N<2>}	117.2313	0.356	3	117.3073	0.208	6	117.7471	2.748	61	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]DyO)(C[6]C[6]H)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]DyO)(C[6]C[6]H)(OC){1|C<3>,2|C<4>}	116.6760	0.000	1	117.3073	0.208	6	117.7471	2.748	61	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]DyO)(C[6]C[6]H)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]DyO)(C[6]C[6]H)(OC){1|H<1>,2|C<3>}	117.7370	0.061	2	117.3073	0.208	6	117.7471	2.748	61	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]GdO)(C[6]C[6]H)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]GdO)(C[6]C[6]H)(OC){1|H<1>,2|C<3>}	117.7525	0.179	2	117.7525	0.032	2	117.7471	2.748	61	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]HH)(C[6]C[6]Br)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]HH)(C[6]C[6]Br)(OC){1|H<1>,1|O<1>,2|C<4>}	119.5140	0.000	1	119.5140	0.000	1	117.7471	2.748	61	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	117.1760	0.000	1	117.1760	0.000	1	117.7471	2.748	61	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]HO)(C[6]C[6]O)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]HO)(C[6]C[6]O)(OC){1|H<1>,1|O<1>,2|C<4>}	121.2863	2.161	3	121.2863	4.668	3	117.7471	2.748	61	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]HW)(C[6]C[6]H)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]HW)(C[6]C[6]H)(OC){1|C<3>,2|H<1>}	115.8790	0.000	1	115.8790	0.000	1	117.7471	2.748	61	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]OO)(C[6]C[6]O)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]OO)(C[6]C[6]O)(OC){1|H<1>,1|O<1>,2|C<4>}	119.4230	0.000	1	119.4230	0.000	1	117.7471	2.748	61	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]ReH)(C[6]C[6]H)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]ReH)(C[6]C[6]H)(OC){1|C<3>,2|H<1>}	116.5290	0.000	1	116.5290	0.000	1	117.7471	2.748	61	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]Ru2)(C[6]C[6]H)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]Ru2)(C[6]C[6]H)(OC){1|C<4>,1|H<1>,1|N<2>}	116.9000	0.000	1	116.9000	0.000	1	117.7471	2.748	61	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]TbO)(C[6]C[6]H)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6]TbO)(C[6]C[6]H)(OC){1|C<3>,1|C<4>,1|N<2>}	116.7487	0.359	3	116.7487	0.129	3	117.7471	2.748	61	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(OC){1|O<1>,1|O<2>,3|C<3>}	116.4315	0.180	2	116.4315	0.033	2	117.7471	2.748	61	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:1:1:1:	4:3:2:	C[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]N[6]RuO)(C[6]C[6]H)(OC)	O(C[6]C[6]2)(CH3)	C(OC[6])(H)3	C[6](C[6]N[6]RuO)(C[6]C[6]H)(OC){1|C<3>,1|H<1>}	116.6510	0.100	2	116.6510	0.010	2	117.7471	2.748	61	117.6447	2.692	126	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:2:1:1:	3:2:2:	C[6]-3:C-4:	O-2:O-2:H-1:H-1:	C[6]-3:C[6]-2:O-2:	O(C[6]C[6]2)(CHHO)	C(OC[6])(OC)(H)2	C[6](C[6]C[6]H)(C[6]N[6])(OC)	O(C[6]C[6]2)(CHHO)	C(OC[6])(OC)(H)2	C[6](C[6]C[6]H)(C[6]N[6])(OC){1|C<3>,1|H<1>}	117.0230	0.000	1	117.0230	0.000	1	117.0230	0.000	1	117.0230	0.000	1	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:2:1:1:	3:3:2:	C[6]-3:C-4:	O-2:C-2:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CCHH)	C(OC[6])(CC)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(OC)	O(C[6]C[6]2)(CCHH)	C(OC[6])(CC)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(OC){1|N<2>,2|C<3>}	117.2867	0.834	3	117.3085	0.465	4	117.3085	0.465	4	117.3085	0.465	4	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:2:1:1:	3:3:2:	C[6]-3:C-4:	O-2:C-2:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CCHH)	C(OC[6])(CC)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(OC)	O(C[6]C[6]2)(CCHH)	C(OC[6])(CC)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(OC){1|O<1>,2|C<3>}	117.3740	0.000	1	117.3085	0.465	4	117.3085	0.465	4	117.3085	0.465	4	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:2:1:1:	4:3:2:	C[6]-3:C-4:	O-2:O-2:H-1:H-1:	C[6,6]-4:C[6]-3:O-2:	O(C[6]C[6,6]C[6])(CHHO)	C(OC[6])(OC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OC)	O(C[6]C[6,6]C[6])(CHHO)	C(OC[6])(OC)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OC){1|C<2>,3|C<4>,3|H<1>}	113.5740	0.000	1	113.5740	0.000	1	113.5740	0.000	1	113.5740	0.000	1	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:3:1:1:	3:3:2:	C[6]-3:C-4:	O-2:C-3:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CCHH)	C(OC[6])(CCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(OC)	O(C[6]C[6]2)(CCHH)	C(OC[6])(CCH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(OC){1|Ir<6>,1|C<3>,1|H<1>}	117.5170	0.000	1	117.5170	0.000	1	117.5170	0.000	1	116.8307	0.356	3	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:3:1:1:	3:3:2:	C[6]-3:C-4:	O-2:O-3:H-1:H-1:	N[6]-3:C[6]-3:O-2:	O(C[6]C[6]N[6])(CHHO)	C(OC[6])(OFeC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(OC)	O(C[6]C[6]N[6])(CHHO)	C(OC[6])(OFeC)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(OC){1|C<3>,1|C<4>,1|H<1>}	116.4875	0.074	2	116.4875	0.006	2	116.4875	0.006	2	116.8307	0.356	3	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:3:1:1:	3:4:2:	C[6]-3:C-4:	O-2:C-3:H-1:H-1:	C[6]-3:C[6]-4:O-2:	O(C[6]C[6]2)(CCHH)	C(OC[6])(CCH)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(OC)	O(C[6]C[6]2)(CCHH)	C(OC[6])(CCH)(H)2	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(OC){2|H<1>,3|C<4>}	117.4380	0.000	1	117.4380	0.000	1	117.4380	0.000	1	117.4380	0.000	1	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:3:1:1:	4:3:2:	C[6]-3:C-4:	O-2:C-3:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(C[6]C[6]2)(CCHH)	C(OC[6])(CCH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)	O(C[6]C[6]2)(CCHH)	C(OC[6])(CCH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC){1|O<1>,3|C<4>}	119.7940	1.484	4	119.7940	2.201	4	119.7940	2.201	4	119.7940	2.201	4	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	2:2:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	N[6]-2:N[6]-2:O-2:	O(C[6]N[6]2)(CCHH)	C(OC[6])(CH3)(H)2	C[6](N[6]C[6])2(OC)	O(C[6]N[6]2)(CCHH)	C(OC[6])(CH3)(H)2	C[6](N[6]C[6])2(OC){3|N<3>}	118.5050	0.000	1	118.5050	0.000	1	118.5050	0.000	1	117.6715	1.389	2	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	2:2:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	O[6]-2:O[6]-2:O-2:	O(C[6]O[6]2)(CCHH)	C(OC[6])(CH3)(H)2	C[6](O[6]B[6])(O[6]C[6])(OC)	O(C[6]O[6]2)(CCHH)	C(OC[6])(CH3)(H)2	C[6](O[6]B[6])(O[6]C[6])(OC){1|C<4>,3|C<3>}	116.8380	0.000	1	116.8380	0.000	1	116.8380	0.000	1	117.6715	1.389	2	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	2:3:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	N[6]-2:C[6]-3:O-2:	O(C[6]C[6]N[6])(CCHH)	C(OC[6])(CCHH)(H)2	C[6](N[6]C[6,6a])(C[6]S[6]C)(OC)	O(C[6]C[6]N[6])(CCHH)	C(OC[6])(CCHH)(H)2	C[6](N[6]C[6,6a])(C[6]S[6]C)(OC){2|C<3>}	117.2990	0.000	1	117.2990	0.000	1	117.2990	0.000	1	117.1920	0.254	3	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	2:3:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	O[6]-2:C[6]-3:O-2:	O(C[6]C[6]O[6])(CCHH)	C(OC[6])(CH3)(H)2	C[6](O[6]B[5,6])(C[6]N[6]H)(OC)	O(C[6]C[6]O[6])(CCHH)	C(OC[6])(CH3)(H)2	C[6](O[6]B[5,6])(C[6]N[6]H)(OC){1|N<3>,2|O<2>}	117.1385	0.701	2	117.1385	0.491	2	117.1385	0.491	2	117.1920	0.254	3	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	3:2:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	C[6]-3:C[6]-2:O-2:	O(C[6]C[6]2)(CCHH)	C(OC[6])(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6])(OC)	O(C[6]C[6]2)(CCHH)	C(OC[6])(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6])(OC){1|C<2>}	110.7690	10.031	2	110.7690	100.621	2	114.2117	49.799	4	116.7909	19.522	11	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	3:2:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	C[6]-3:C[6]-2:O-2:	O(C[6]C[6]2)(CCHH)	C(OC[6])(CCHO)(H)2	C[6](C[6]C[6]H)(C[6]C[6])(OC)	O(C[6]C[6]2)(CCHH)	C(OC[6])(CCHO)(H)2	C[6](C[6]C[6]H)(C[6]C[6])(OC){1|C<3>,2|H<1>}	116.8280	0.000	1	116.8280	0.000	1	114.2117	49.799	4	116.7909	19.522	11	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	3:2:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	C[6]-3:C[6]-2:O-2:	O(C[6]C[6]2)(CCHH)	C(OC[6])(CHHO)(H)2	C[6](C[6]C[6]C)(C[6]C[6])(OC)	O(C[6]C[6]2)(CCHH)	C(OC[6])(CHHO)(H)2	C[6](C[6]C[6]C)(C[6]C[6])(OC){2|C<3>}	118.4810	0.000	1	118.4810	0.000	1	114.2117	49.799	4	116.7909	19.522	11	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	3:2:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	C[6]-3:N[6]-2:O-2:	O(C[6]C[6]N[6])(CCHH)	C(OC[6])(CCHH)(H)2	C[6](C[6]C[6]H)(N[6]N[6])(OC)	O(C[6]C[6]N[6])(CCHH)	C(OC[6])(CCHH)(H)2	C[6](C[6]C[6]H)(N[6]N[6])(OC){1|Re<6>,1|C<3>,1|H<1>}	118.7350	0.000	1	118.7350	0.000	1	118.7350	0.000	1	116.7909	19.522	11	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	3:2:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	C[6]-3:O[6]-2:O-2:	O(C[6]C[6]O[6])(CCHH)	C(OC[6])(CH3)(H)2	C[6](C[6]C[6]2)(O[6]B[6])(OC)	O(C[6]C[6]O[6])(CCHH)	C(OC[6])(CH3)(H)2	C[6](C[6]C[6]2)(O[6]B[6])(OC){1|H<1>,1|O<2>,2|F<1>,3|C<4>}	118.7120	0.000	1	118.7120	0.000	1	118.6860	0.163	4	116.7909	19.522	11	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	3:2:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	C[6]-3:O[6]-2:O-2:	O(C[6]C[6]O[6])(CCHH)	C(OC[6])(CH3)(H)2	C[6](C[6]C[6]H)(O[6]B[6])(OC)	O(C[6]C[6]O[6])(CCHH)	C(OC[6])(CH3)(H)2	C[6](C[6]C[6]H)(O[6]B[6])(OC){1|C<3>,1|O<2>,2|F<1>}	119.2400	0.000	1	119.2400	0.000	1	118.6860	0.163	4	116.7909	19.522	11	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	3:2:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	C[6]-3:O[6]-2:O-2:	O(C[6]C[6]O[6])(CCHH)	C(OC[6])(CH3)(H)2	C[6](C[6]C[6]H)(O[6]C[6])(OC)	O(C[6]C[6]O[6])(CCHH)	C(OC[6])(CH3)(H)2	C[6](C[6]C[6]H)(O[6]C[6])(OC){1|Cr<6>,1|C<3>,1|H<1>}	118.4800	0.000	1	118.4800	0.000	1	118.6860	0.163	4	116.7909	19.522	11	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	3:2:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	C[6]-3:O[6]-2:O-2:	O(C[6]C[6]O[6])(CCHH)	C(OC[6])(CH3)(H)2	C[6](C[6]C[6a]C[6])(O[6]B[6])(OC)	O(C[6]C[6]O[6])(CCHH)	C(OC[6])(CH3)(H)2	C[6](C[6]C[6a]C[6])(O[6]B[6])(OC){1|C<4>,1|O<2>,4|C<3>}	118.3120	0.000	1	118.3120	0.000	1	118.6860	0.163	4	116.7909	19.522	11	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	3:2:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	N[6]-3:N[6]-2:O-2:	O(C[6]N[6]2)(CCHH)	C(OC[6])(CCHH)(H)2	C[6](N[6]C[6]Co)(N[6]C[6])(OC)	O(C[6]N[6]2)(CCHH)	C(OC[6])(CCHH)(H)2	C[6](N[6]C[6]Co)(N[6]C[6])(OC){1|N<2>,2|N<3>}	117.5500	0.000	1	117.5500	0.000	1	117.1870	0.264	2	116.7909	19.522	11	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	3:2:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	N[6]-3:N[6]-2:O-2:	O(C[6]N[6]2)(CCHH)	C(OC[6])(CH3)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(OC)	O(C[6]N[6]2)(CCHH)	C(OC[6])(CH3)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(OC){1|C<3>,3|H<1>}	116.8240	0.000	1	116.8240	0.000	1	117.1870	0.264	2	116.7909	19.522	11	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	3:3:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	C[5a,6]-3:C[5a,6]-3:O-2:	O(C[6]C[5a,6]2)(CCHH)	C(OC[6])(CH3)(H)2	C[6](C[5a,6]N[5a,6]C[5a])2(OC)	O(C[6]C[5a,6]2)(CCHH)	C(OC[6])(CH3)(H)2	C[6](C[5a,6]N[5a,6]C[5a])2(OC){1|B<4>,2|H<1>,4|C<3>}	123.0475	0.299	2	123.0475	0.089	2	123.0475	0.089	2	118.7306	5.703	104	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	3:3:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	C[6,6]-3:C[6]-3:O-2:	O(C[6]C[6,6]C[6])(CCHH)	C(OC[6])(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(OC)	O(C[6]C[6,6]C[6])(CCHH)	C(OC[6])(CCHH)(H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(OC){1|H<1>,1|O<1>,3|C<3>}	118.0870	0.000	1	118.0870	0.000	1	117.8567	0.151	3	118.7306	5.703	104	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	3:3:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	C[6,6]-3:C[6]-3:O-2:	O(C[6]C[6,6]C[6])(CCHH)	C(OC[6])(CCHH)(H)2	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(OC)	O(C[6]C[6,6]C[6])(CCHH)	C(OC[6])(CCHH)(H)2	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(OC){1|B<4>,1|H<1>,2|C<3>}	117.7415	0.472	2	117.7415	0.222	2	117.8567	0.151	3	118.7306	5.703	104	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	3:3:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:O-2:	O(C[6]C[6,6a]C[6])(CCHH)	C(OC[6])(CH3)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC)	O(C[6]C[6,6a]C[6])(CCHH)	C(OC[6])(CH3)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC){1|H<1>,4|C<3>}	118.3020	0.000	1	118.3020	0.000	1	115.9480	11.083	2	118.7306	5.703	104	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	3:3:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:O-2:	O(C[6]C[6,6a]C[6])(CCHH)	C(OC[6])(CH3)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OC)	O(C[6]C[6,6a]C[6])(CCHH)	C(OC[6])(CH3)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(OC){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	113.5940	0.000	1	113.5940	0.000	1	115.9480	11.083	2	118.7306	5.703	104	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	3:3:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CCHH)	C(OC[6])(CC3)(H)2	C[6](C[6]C[6]H)2(OC)	O(C[6]C[6]2)(CCHH)	C(OC[6])(CC3)(H)2	C[6](C[6]C[6]H)2(OC){1|N<3>,2|H<1>}	118.8985	1.348	10	118.8985	1.817	10	118.3961	3.927	84	118.7306	5.703	104	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	3:3:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CCHH)	C(OC[6])(CCCH)(H)2	C[6](C[6]C[6]H)(C[6]C[6]N)(OC)	O(C[6]C[6]2)(CCHH)	C(OC[6])(CCCH)(H)2	C[6](C[6]C[6]H)(C[6]C[6]N)(OC){1|N<3>,2|H<1>}	117.7560	0.000	1	117.7560	0.000	1	118.3961	3.927	84	118.7306	5.703	104	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	3:3:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CCHH)	C(OC[6])(CCCH)(H)2	C[6](C[6]C[6]H)2(OC)	O(C[6]C[6]2)(CCHH)	C(OC[6])(CCCH)(H)2	C[6](C[6]C[6]H)2(OC){1|N<3>,2|C<3>}	117.6390	0.000	1	117.6390	0.000	1	118.3961	3.927	84	118.7306	5.703	104	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	3:3:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CCHH)	C(OC[6])(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(OC)	O(C[6]C[6]2)(CCHH)	C(OC[6])(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]C)(OC){1|Fe<6>,1|C<3>,1|H<1>}	119.4460	1.694	6	119.4460	2.869	6	118.3961	3.927	84	118.7306	5.703	104	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	3:3:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CCHH)	C(OC[6])(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(OC)	O(C[6]C[6]2)(CCHH)	C(OC[6])(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(OC){1|Co<6>,1|C<3>,1|O<2>}	117.6102	0.850	6	117.7556	0.410	12	118.3961	3.927	84	118.7306	5.703	104	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	3:3:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CCHH)	C(OC[6])(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(OC)	O(C[6]C[6]2)(CCHH)	C(OC[6])(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(OC){1|Fe<6>,1|C<3>,1|H<1>}	117.9010	0.359	6	117.7556	0.410	12	118.3961	3.927	84	118.7306	5.703	104	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	3:3:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CCHH)	C(OC[6])(CCHH)(H)2	C[6](C[6]C[6]H)2(OC)	O(C[6]C[6]2)(CCHH)	C(OC[6])(CCHH)(H)2	C[6](C[6]C[6]H)2(OC){1|C<3>,1|H<1>,1|O<1>}	117.4945	0.544	2	117.8199	1.424	13	118.3961	3.927	84	118.7306	5.703	104	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	3:3:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CCHH)	C(OC[6])(CCHH)(H)2	C[6](C[6]C[6]H)2(OC)	O(C[6]C[6]2)(CCHH)	C(OC[6])(CCHH)(H)2	C[6](C[6]C[6]H)2(OC){1|H<1>,2|N<3>}	118.9540	0.000	1	117.8199	1.424	13	118.3961	3.927	84	118.7306	5.703	104	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	3:3:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CCHH)	C(OC[6])(CCHH)(H)2	C[6](C[6]C[6]H)2(OC)	O(C[6]C[6]2)(CCHH)	C(OC[6])(CCHH)(H)2	C[6](C[6]C[6]H)2(OC){1|N<3>,2|C<3>}	117.2090	1.650	5	117.8199	1.424	13	118.3961	3.927	84	118.7306	5.703	104	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	3:3:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CCHH)	C(OC[6])(CCHH)(H)2	C[6](C[6]C[6]H)2(OC)	O(C[6]C[6]2)(CCHH)	C(OC[6])(CCHH)(H)2	C[6](C[6]C[6]H)2(OC){1|N<3>,2|H<1>}	118.3342	0.550	5	117.8199	1.424	13	118.3961	3.927	84	118.7306	5.703	104	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	3:3:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CCHH)	C(OC[6])(CCHH)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]H)(OC)	O(C[6]C[6]2)(CCHH)	C(OC[6])(CCHH)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]H)(OC){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	118.7029	1.827	8	118.7029	3.340	8	118.3961	3.927	84	118.7306	5.703	104	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	3:3:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CCHH)	C(OC[6])(CCHH)(H)2	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(OC)	O(C[6]C[6]2)(CCHH)	C(OC[6])(CCHH)(H)2	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(OC){1|Pt<4>,1|H<1>,3|C<3>}	118.7280	0.000	1	118.7280	0.000	1	118.3961	3.927	84	118.7306	5.703	104	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	3:3:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CCHH)	C(OC[6])(CH3)(H)2	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(OC)	O(C[6]C[6]2)(CCHH)	C(OC[6])(CH3)(H)2	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(OC){1|O<1>,1|S<2>,3|C<3>}	119.8810	0.000	1	119.8810	0.000	1	118.3961	3.927	84	118.7306	5.703	104	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	3:3:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CCHH)	C(OC[6])(CH3)(H)2	C[6](C[6]C[6]Br)(C[6]C[6]O)(OC)	O(C[6]C[6]2)(CCHH)	C(OC[6])(CH3)(H)2	C[6](C[6]C[6]Br)(C[6]C[6]O)(OC){1|Br<1>,1|C<3>,1|O<1>}	126.9980	0.000	1	126.9980	0.000	1	118.3961	3.927	84	118.7306	5.703	104	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	3:3:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CCHH)	C(OC[6])(CH3)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	O(C[6]C[6]2)(CCHH)	C(OC[6])(CH3)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|H<1>,2|C<3>}	117.0753	0.689	3	117.0753	0.475	3	118.3961	3.927	84	118.7306	5.703	104	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	3:3:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CCHH)	C(OC[6])(CH3)(H)2	C[6](C[6]C[6]H)2(OC)	O(C[6]C[6]2)(CCHH)	C(OC[6])(CH3)(H)2	C[6](C[6]C[6]H)2(OC){1|C<3>,1|H<1>,1|O<1>}	118.1930	0.000	1	117.7060	1.026	8	118.3961	3.927	84	118.7306	5.703	104	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	3:3:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CCHH)	C(OC[6])(CH3)(H)2	C[6](C[6]C[6]H)2(OC)	O(C[6]C[6]2)(CCHH)	C(OC[6])(CH3)(H)2	C[6](C[6]C[6]H)2(OC){1|N<3>,2|C<3>}	117.4748	1.078	6	117.7060	1.026	8	118.3961	3.927	84	118.7306	5.703	104	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	3:3:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CCHH)	C(OC[6])(CH3)(H)2	C[6](C[6]C[6]H)2(OC)	O(C[6]C[6]2)(CCHH)	C(OC[6])(CH3)(H)2	C[6](C[6]C[6]H)2(OC){1|N<3>,2|C<4>}	118.6060	0.000	1	117.7060	1.026	8	118.3961	3.927	84	118.7306	5.703	104	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	3:3:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CCHH)	C(OC[6])(CH3)(H)2	C[6](C[6]C[6]N)(C[6]C[6]O)(OC)	O(C[6]C[6]2)(CCHH)	C(OC[6])(CH3)(H)2	C[6](C[6]C[6]N)(C[6]C[6]O)(OC){1|C<4>,4|H<1>}	115.5910	0.000	1	115.5910	0.000	1	118.3961	3.927	84	118.7306	5.703	104	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	3:3:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CCHH)	C(OC[6])(CH3)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6,6]O)(OC)	O(C[6]C[6]2)(CCHH)	C(OC[6])(CH3)(H)2	C[6](C[6]C[6a]C[6])(C[6]C[6,6]O)(OC){1|O<1>,4|C<3>}	120.5820	0.000	1	120.5820	0.000	1	118.3961	3.927	84	118.7306	5.703	104	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	3:3:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CCHH)	C(OC[6])(CHHN)(H)2	C[6](C[6]C[6]H)2(OC)	O(C[6]C[6]2)(CCHH)	C(OC[6])(CHHN)(H)2	C[6](C[6]C[6]H)2(OC){1|C<2>,2|H<1>}	121.1880	0.000	1	121.1880	0.000	1	118.3961	3.927	84	118.7306	5.703	104	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	3:3:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CCHH)	C(OC[6])(CHHO)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	O(C[6]C[6]2)(CCHH)	C(OC[6])(CHHO)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|C<2>,1|C<4>,1|H<1>}	119.6480	0.000	1	117.5547	13.742	4	118.3961	3.927	84	118.7306	5.703	104	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	3:3:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CCHH)	C(OC[6])(CHHO)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	O(C[6]C[6]2)(CCHH)	C(OC[6])(CHHO)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|C<3>,1|H<1>}	119.4010	0.000	1	117.5547	13.742	4	118.3961	3.927	84	118.7306	5.703	104	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	3:3:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CCHH)	C(OC[6])(CHHO)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	O(C[6]C[6]2)(CCHH)	C(OC[6])(CHHO)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|H<1>,2|C<3>}	115.5850	5.067	2	117.5547	13.742	4	118.3961	3.927	84	118.7306	5.703	104	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	3:3:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CCHH)	C(OC[6])(CHHO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(OC)	O(C[6]C[6]2)(CCHH)	C(OC[6])(CHHO)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(OC){1|Pd<4>,1|C<2>,1|C<3>}	118.3234	1.625	5	118.3234	2.641	5	118.3961	3.927	84	118.7306	5.703	104	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	3:3:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CCHH)	C(OC[6])(CHHO)(H)2	C[6](C[6]C[6]H)2(OC)	O(C[6]C[6]2)(CCHH)	C(OC[6])(CHHO)(H)2	C[6](C[6]C[6]H)2(OC){1|N<3>,2|C<3>}	118.2225	0.497	2	118.2225	0.247	2	118.3961	3.927	84	118.7306	5.703	104	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	3:3:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CCHH)	C(OC[6])(CHHO)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]H)(OC)	O(C[6]C[6]2)(CCHH)	C(OC[6])(CHHO)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]H)(OC){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	117.1280	5.902	2	117.1280	34.828	2	118.3961	3.927	84	118.7306	5.703	104	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	3:3:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CCHH)	C(OC[6])(CHHO)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]O)(OC)	O(C[6]C[6]2)(CCHH)	C(OC[6])(CHHO)(H)2	C[6](C[6]C[6]N[6])(C[6]C[6]O)(OC){1|C<2>,1|O<1>,3|C<3>}	120.9030	0.000	1	120.9030	0.000	1	118.3961	3.927	84	118.7306	5.703	104	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	3:3:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CCHH)	C(OC[6])(CHHO)(H)2	C[6](C[6]C[6]O)2(OC)	O(C[6]C[6]2)(CCHH)	C(OC[6])(CHHO)(H)2	C[6](C[6]C[6]O)2(OC){1|C<3>,1|H<1>,1|O<1>}	120.2945	3.116	2	120.2945	9.711	2	118.3961	3.927	84	118.7306	5.703	104	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	3:3:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	N[6]-3:C[6]-3:O-2:	O(C[6]C[6]N[6])(CCHH)	C(OC[6])(CCCN)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(OC)	O(C[6]C[6]N[6])(CCHH)	C(OC[6])(CCCN)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(OC){1|C<3>,2|H<1>}	125.9210	0.000	1	125.9210	0.000	1	120.8570	10.565	13	118.7306	5.703	104	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	3:3:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	N[6]-3:C[6]-3:O-2:	O(C[6]C[6]N[6])(CCHH)	C(OC[6])(CCHH)(H)2	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(OC)	O(C[6]C[6]N[6])(CCHH)	C(OC[6])(CCHH)(H)2	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(OC){1|H<1>,2|C<3>}	120.6795	0.582	2	120.6795	0.339	2	120.8570	10.565	13	118.7306	5.703	104	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	3:3:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	N[6]-3:C[6]-3:O-2:	O(C[6]C[6]N[6])(CCHH)	C(OC[6])(CCHN)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(OC)	O(C[6]C[6]N[6])(CCHH)	C(OC[6])(CCHN)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(OC){1|C<3>,2|H<1>}	124.4013	0.772	3	124.4013	0.596	3	120.8570	10.565	13	118.7306	5.703	104	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	3:3:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	N[6]-3:C[6]-3:O-2:	O(C[6]C[6]N[6])(CCHH)	C(OC[6])(CH3)(H)2	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(OC)	O(C[6]C[6]N[6])(CCHH)	C(OC[6])(CH3)(H)2	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(OC){1|H<1>,2|C<3>}	119.8945	0.274	2	119.8945	0.075	2	120.8570	10.565	13	118.7306	5.703	104	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	3:3:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	N[6]-3:C[6]-3:O-2:	O(C[6]C[6]N[6])(CCHH)	C(OC[6])(CH3)(H)2	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(OC)	O(C[6]C[6]N[6])(CCHH)	C(OC[6])(CH3)(H)2	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(OC){1|H<1>,2|C<3>}	117.8380	2.688	4	117.8380	7.223	4	120.8570	10.565	13	118.7306	5.703	104	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	3:3:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	N[6]-3:C[6]-3:O-2:	O(C[6]C[6]N[6])(CCHH)	C(OC[6])(CH3)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(OC)	O(C[6]C[6]N[6])(CCHH)	C(OC[6])(CH3)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(OC){1|H<1>,2|C<3>}	119.5160	0.000	1	119.5160	0.000	1	120.8570	10.565	13	118.7306	5.703	104	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	4:2:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	C[5,6]-4:N[6]-2:O-2:	O(C[6]C[5,6]N[6])(CCHH)	C(OC[6])(CH3)(H)2	C[6](C[5,6]C[5]N[5]O[6])(N[6]C[6,6a])(OC)	O(C[6]C[5,6]N[6])(CCHH)	C(OC[6])(CH3)(H)2	C[6](C[5,6]C[5]N[5]O[6])(N[6]C[6,6a])(OC){3|C<4>,4|C<3>}	116.9125	0.273	4	116.9125	0.075	4	116.9125	0.075	4	116.9125	0.075	4	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	4:3:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	C[5,6]-4:C[6]-3:O-2:	O(C[6]C[5,6]C[6])(CCHH)	C(OC[6])(CH3)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OC)	O(C[6]C[5,6]C[6])(CCHH)	C(OC[6])(CH3)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OC){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	117.7750	0.000	1	117.7750	0.000	1	117.7750	0.000	1	118.9680	3.243	12	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	4:3:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	C[6,6]-4:C[6]-3:O-2:	O(C[6]C[6,6]C[6])(CCHH)	C(OC[6])(CH3)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OC)	O(C[6]C[6,6]C[6])(CCHH)	C(OC[6])(CH3)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OC){1|O<2>,3|C<4>,4|H<1>}	119.0660	0.000	1	119.0660	0.000	1	118.5770	0.229	3	118.9680	3.243	12	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	4:3:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	C[6,6]-4:C[6]-3:O-2:	O(C[6]C[6,6]C[6])(CCHH)	C(OC[6])(CH3)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OC)	O(C[6]C[6,6]C[6])(CCHH)	C(OC[6])(CH3)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OC){1|O<1>,2|C<4>,4|H<1>}	118.3325	0.315	2	118.3325	0.099	2	118.5770	0.229	3	118.9680	3.243	12	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	4:3:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(C[6]C[6]2)(CCHH)	C(OC[6])(CCCH)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]H)(OC)	O(C[6]C[6]2)(CCHH)	C(OC[6])(CCCH)(H)2	C[6](C[6]N[6]HH)(C[6]C[6]H)(OC){1|C<3>,1|C<4>,1|O<1>}	117.0710	0.000	1	117.0710	0.000	1	119.2638	4.662	8	118.9680	3.243	12	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	4:3:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(C[6]C[6]2)(CCHH)	C(OC[6])(CCHH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]S)(OC)	O(C[6]C[6]2)(CCHH)	C(OC[6])(CCHH)(H)2	C[6](C[6]C[6,6]CH)(C[6]C[6]S)(OC){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	120.8060	0.000	1	120.8060	0.000	1	119.2638	4.662	8	118.9680	3.243	12	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	4:3:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(C[6]C[6]2)(CCHH)	C(OC[6])(CCHH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)	O(C[6]C[6]2)(CCHH)	C(OC[6])(CCHH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC){1|C<4>,1|O<1>,2|H<1>}	121.4390	0.000	1	121.1775	0.137	2	119.2638	4.662	8	118.9680	3.243	12	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	4:3:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(C[6]C[6]2)(CCHH)	C(OC[6])(CCHH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)	O(C[6]C[6]2)(CCHH)	C(OC[6])(CCHH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC){1|O<1>,3|C<4>}	120.9160	0.000	1	121.1775	0.137	2	119.2638	4.662	8	118.9680	3.243	12	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	4:3:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(C[6]C[6]2)(CCHH)	C(OC[6])(CH3)(H)2	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]H)(OC)	O(C[6]C[6]2)(CCHH)	C(OC[6])(CH3)(H)2	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]H)(OC){1|C<4>,2|H<1>,4|C<3>}	116.2930	0.000	1	116.2930	0.000	1	119.2638	4.662	8	118.9680	3.243	12	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	4:3:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(C[6]C[6]2)(CCHH)	C(OC[6])(CH3)(H)2	C[6](C[6]C[6]CN)(C[6]C[6]H)(OC)	O(C[6]C[6]2)(CCHH)	C(OC[6])(CH3)(H)2	C[6](C[6]C[6]CN)(C[6]C[6]H)(OC){1|C<4>,1|O<1>,2|H<1>}	119.0460	0.000	1	119.0460	0.000	1	119.2638	4.662	8	118.9680	3.243	12	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	4:3:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(C[6]C[6]2)(CCHH)	C(OC[6])(CH3)(H)2	C[6](C[6]C[6]ClH)(C[6]C[6]Cl)(OC)	O(C[6]C[6]2)(CCHH)	C(OC[6])(CH3)(H)2	C[6](C[6]C[6]ClH)(C[6]C[6]Cl)(OC){1|C<4>,1|O<1>,2|H<1>}	121.4040	0.000	1	121.4040	0.000	1	119.2638	4.662	8	118.9680	3.243	12	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:1:1:	4:3:2:	C[6]-3:C-4:	O-2:C-4:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(C[6]C[6]2)(CCHH)	C(OC[6])(CH3)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC)	O(C[6]C[6]2)(CCHH)	C(OC[6])(CH3)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	117.1350	0.000	1	117.1350	0.000	1	119.2638	4.662	8	118.9680	3.243	12	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:4:1:	2:3:2:	C[6]-3:C-4:	O-2:C-4:C-4:H-1:	N[6]-2:C[6]-3:O-2:	O(C[6]C[6]N[6])(CCCH)	C(OC[6])(CH3)2(H)	C[6](N[6]C[6,6a])(C[6]N[6]C)(OC)	O(C[6]C[6]N[6])(CCCH)	C(OC[6])(CH3)2(H)	C[6](N[6]C[6,6a])(C[6]N[6]C)(OC){1|Ru<5>,2|C<3>}	118.2120	0.000	1	118.2120	0.000	1	118.2120	0.000	1	118.2120	0.000	1	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:4:1:	2:4:2:	C[6]-3:C-4:	O-2:C-4:C-4:H-1:	N[6]-2:C[6]-4:O-2:	O(C[6]C[6]N[6])(CCCH)	C(OC[6])(CH3)2(H)	C[6](N[6]C[6,6a])(C[6]C[6]HH)(OC)	O(C[6]C[6]N[6])(CCCH)	C(OC[6])(CH3)2(H)	C[6](N[6]C[6,6a])(C[6]C[6]HH)(OC){2|C<3>,2|C<4>}	119.5180	0.000	1	119.5180	0.000	1	119.5180	0.000	1	119.5180	0.000	1	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:4:1:	3:2:2:	C[6]-3:C-4:	O-2:C-4:C-4:H-1:	N[6]-3:N[6]-2:O-2:	O(C[6]N[6]2)(CCCH)	C(OC[6])(CH3)2(H)	C[6](N[6]C[6,6a]H)(N[6]S[6])(OC)	O(C[6]N[6]2)(CCCH)	C(OC[6])(CH3)2(H)	C[6](N[6]C[6,6a]H)(N[6]S[6])(OC){2|C<3>,2|O<1>}	119.5670	0.000	1	119.5670	0.000	1	119.5670	0.000	1	119.5670	0.000	1	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:4:1:	3:3:2:	C[6]-3:C-4:	O-2:C-4:C-4:H-1:	C[6,6a]-3:C[6]-3:O-2:	O(C[6]C[6,6a]C[6])(CCCH)	C(OC[6])(CH3)2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC)	O(C[6]C[6,6a]C[6])(CCCH)	C(OC[6])(CH3)2(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC){1|H<1>,4|C<3>}	119.1060	0.000	1	119.1060	0.000	1	119.1060	0.000	1	119.3940	0.169	3	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:4:1:	3:3:2:	C[6]-3:C-4:	O-2:C-4:C-4:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CCCH)	C(OC[6])(CH3)2(H)	C[6](C[6]C[5a,6]O)(C[6]C[6]C)(OC)	O(C[6]C[6]2)(CCCH)	C(OC[6])(CH3)2(H)	C[6](C[6]C[5a,6]O)(C[6]C[6]C)(OC){1|O<1>,2|C<3>}	119.8650	0.000	1	119.8650	0.000	1	119.5380	0.214	2	119.3940	0.169	3	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:4:1:	3:3:2:	C[6]-3:C-4:	O-2:C-4:C-4:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CCCH)	C(OC[6])(CH3)2(H)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OC)	O(C[6]C[6]2)(CCCH)	C(OC[6])(CH3)2(H)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OC){1|Cl<1>,1|C<3>,1|O<1>}	119.2110	0.000	1	119.2110	0.000	1	119.5380	0.214	2	119.3940	0.169	3	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:4:1:	4:3:2:	C[6]-3:C-4:	O-2:C-4:C-4:H-1:	C[6,6]-4:C[6]-3:O-2:	O(C[6]C[6,6]C[6])(CCCH)	C(OC[6])(CCCO)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OC)	O(C[6]C[6,6]C[6])(CCCH)	C(OC[6])(CCCO)(CCHH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OC){2|O<1>,4|C<4>}	122.9690	0.000	2	122.9690	0.000	2	122.9690	0.000	2	120.1498	4.973	6	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:4:1:	4:3:2:	C[6]-3:C-4:	O-2:C-4:C-4:H-1:	C[6]-4:C[6]-3:O-2:	O(C[6]C[6]2)(CCCH)	C(OC[6])(CH3)2(H)	C[6](C[6]C[6a]C[6]Pd)(C[6]C[6]H)(OC)	O(C[6]C[6]2)(CCCH)	C(OC[6])(CH3)2(H)	C[6](C[6]C[6a]C[6]Pd)(C[6]C[6]H)(OC){1|H<1>,1|O<2>,3|C<3>}	118.7403	0.584	4	118.7403	0.341	4	118.7403	0.341	4	120.1498	4.973	6	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:4:4:	2:2:2:	C[6]-3:C-4:	O-2:C-4:C-4:C-4:	N[6]-2:O[6]-2:O-2:	O(C[6]N[6]O[6])(CC3)	C(OC[6])(CH3)3	C[6](N[6]C[6])(O[6]C[6])(OC)	O(C[6]N[6]O[6])(CC3)	C(OC[6])(CH3)3	C[6](N[6]C[6])(O[6]C[6])(OC){2|H<1>,3|C<4>}	120.7780	0.000	1	120.7780	0.000	1	120.7780	0.000	1	120.7780	0.000	1	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	2:4:4:4:	3:3:2:	C[6]-3:C-4:	O-2:C-4:C-4:C-4:	N[6]-3:C[6]-3:O-2:	O(C[6]C[6]N[6])(CC3)	C(OC[6])(CH3)3	C[6](N[6]C[6]Ir)(C[6]C[6]H)(OC)	O(C[6]C[6]N[6])(CC3)	C(OC[6])(CH3)3	C[6](N[6]C[6]Ir)(C[6]C[6]H)(OC){1|C<3>,1|H<1>,1|N<3>}	122.3630	0.000	1	122.3630	0.000	1	122.3630	0.000	1	122.3630	0.000	1	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	3:2:1:1:	2:4:2:	C[6]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	N[6]-2:C[6]-4:O-2:	O(C[6]C[6]N[6])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6])(H)2	C[6](N[6]N[5a,6])(C[6]C[6]HH)(OC)	O(C[6]C[6]N[6])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6])(H)2	C[6](N[6]N[5a,6])(C[6]C[6]HH)(OC){1|H<1>,3|C<3>}	116.3100	0.000	1	116.3100	0.000	1	116.3100	0.000	1	116.3100	0.000	1	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	3:2:1:1:	3:2:2:	C[6]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[6]-3:O[6]-2:O-2:	O(C[6]C[6]O[6])(CC[5a]HH)	C(C[5a]C[5a]2)(OC[6])(H)2	C[6](C[6]C[6]C)(O[6]C[6])(OC)	O(C[6]C[6]O[6])(CC[5a]HH)	C(C[5a]C[5a]2)(OC[6])(H)2	C[6](C[6]C[6]C)(O[6]C[6])(OC){1|O<1>,1|O<2>,2|C<4>}	119.4240	0.000	1	119.4240	0.000	1	119.4240	0.000	1	117.0905	2.747	4	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	3:2:1:1:	3:2:2:	C[6]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6]-3:N[6]-2:O-2:	O(C[6]C[6]N[6])(CC[6a]HH)	C(C[6a]C[6a]N[6a])(OC[6])(H)2	C[6](C[6]N[6]H)(N[6]C[6])(OC)	O(C[6]C[6]N[6])(CC[6a]HH)	C(C[6a]C[6a]N[6a])(OC[6])(H)2	C[6](C[6]N[6]H)(N[6]C[6])(OC){1|Co<6>,1|C<3>,1|H<1>}	116.0450	0.000	1	115.9155	0.034	2	115.9155	0.034	2	117.0905	2.747	4	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	3:2:1:1:	3:2:2:	C[6]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6]-3:N[6]-2:O-2:	O(C[6]C[6]N[6])(CC[6a]HH)	C(C[6a]C[6a]N[6a])(OC[6])(H)2	C[6](C[6]N[6]H)(N[6]C[6])(OC)	O(C[6]C[6]N[6])(CC[6a]HH)	C(C[6a]C[6a]N[6a])(OC[6])(H)2	C[6](C[6]N[6]H)(N[6]C[6])(OC){1|Mn<6>,1|C<3>,1|H<1>}	115.7860	0.000	1	115.9155	0.034	2	115.9155	0.034	2	117.0905	2.747	4	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	3:2:1:1:	3:2:2:	C[6]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	N[6]-3:N[6]-2:O-2:	O(C[6]N[6]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6])(H)2	C[6](N[6]C[6,6a]H)(N[6]S[6])(OC)	O(C[6]N[6]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6])(H)2	C[6](N[6]C[6,6a]H)(N[6]S[6])(OC){2|C<3>,2|O<1>}	117.1070	0.000	1	117.1070	0.000	1	117.1070	0.000	1	117.0905	2.747	4	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	3:2:1:1:	3:3:2:	C[6]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(OC[6])(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(OC)	O(C[6]C[6]2)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(OC[6])(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(OC){1|O<1>,2|C<3>}	117.9850	0.000	1	117.9850	0.000	1	117.9850	0.000	1	117.8373	1.539	16	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	3:2:1:1:	3:3:2:	C[6]-3:C-4:	C[6]-3:O-2:H-1:H-1:	N[6]-3:C[6]-3:O-2:	O(C[6]C[6]N[6])(CC[6]HH)	C(C[6]C[6]N[6])(OC[6])(H)2	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(OC)	O(C[6]C[6]N[6])(CC[6]HH)	C(C[6]C[6]N[6])(OC[6])(H)2	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(OC){1|H<1>,2|C<3>}	121.5210	0.000	1	121.5210	0.000	1	121.5210	0.000	1	117.8373	1.539	16	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	3:2:1:1:	3:3:2:	C[6]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6])(H)2	C[6](C[6]C[6]H)2(OC)	O(C[6]C[6]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6])(H)2	C[6](C[6]C[6]H)2(OC){1|C<3>,1|H<1>,1|O<1>}	117.7555	0.280	4	117.5760	0.729	12	117.5760	0.729	12	117.8373	1.539	16	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	3:2:1:1:	3:3:2:	C[6]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6])(H)2	C[6](C[6]C[6]H)2(OC)	O(C[6]C[6]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6])(H)2	C[6](C[6]C[6]H)2(OC){1|N<3>,2|C<3>}	117.6248	0.975	4	117.5760	0.729	12	117.5760	0.729	12	117.8373	1.539	16	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	3:2:1:1:	3:3:2:	C[6]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6])(H)2	C[6](C[6]C[6]H)2(OC)	O(C[6]C[6]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6])(H)2	C[6](C[6]C[6]H)2(OC){1|N<3>,2|C<4>}	117.6625	1.207	2	117.5760	0.729	12	117.5760	0.729	12	117.8373	1.539	16	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	3:2:1:1:	3:3:2:	C[6]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6])(H)2	C[6](C[6]C[6]H)2(OC)	O(C[6]C[6]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6])(H)2	C[6](C[6]C[6]H)2(OC){1|N<3>,2|H<1>}	117.0330	1.655	2	117.5760	0.729	12	117.5760	0.729	12	117.8373	1.539	16	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	3:2:1:1:	3:3:2:	C[6]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	N[6]-3:C[6]-3:O-2:	O(C[6]C[6]N[6])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6])(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(OC)	O(C[6]C[6]N[6])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6])(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(OC){1|C<3>,1|C<4>,1|H<1>}	117.4895	0.634	2	117.4895	0.402	2	117.4895	0.402	2	117.8373	1.539	16	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	3:2:1:1:	4:3:2:	C[6]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6,6]-4:C[6]-3:O-2:	O(C[6]C[6,6]C[6])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]H)(OC)	O(C[6]C[6,6]C[6])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6])(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]H)(OC){3|C<4>,3|H<1>}	116.2700	0.000	1	116.2700	0.000	1	116.2700	0.000	1	118.9910	14.808	2	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	3:2:1:1:	4:3:2:	C[6]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(C[6]C[6]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6])(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(OC)	O(C[6]C[6]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[6])(H)2	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(OC){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	121.7120	0.000	1	121.7120	0.000	1	121.7120	0.000	1	118.9910	14.808	2	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	3:3:2:1:	3:3:2:	C[6]-3:C-4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CC[6a]2H)	C(C[6a]C[6a]2)2(OC[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	O(C[6]C[6]2)(CC[6a]2H)	C(C[6a]C[6a]2)2(OC[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|C<4>,1|H<1>,1|N<3>}	119.3850	0.000	1	119.3850	0.000	1	120.0975	1.015	2	120.0975	1.015	2	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	3:3:2:1:	3:3:2:	C[6]-3:C-4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CC[6a]2H)	C(C[6a]C[6a]2)2(OC[6])(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(OC)	O(C[6]C[6]2)(CC[6a]2H)	C(C[6a]C[6a]2)2(OC[6])(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(OC){1|C<3>,1|H<1>,1|O<1>}	120.8100	0.000	1	120.8100	0.000	1	120.0975	1.015	2	120.0975	1.015	2	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	4:2:1:1:	3:2:2:	C[6]-3:C-4:	C-4:O-2:H-1:H-1:	N[6]-3:N[6]-2:O-2:	O(C[6]N[6]2)(CCHH)	C(CC[6]HH)(OC[6])(H)2	C[6](N[6]C[6]Cu)(N[6]C[6])(OC)	O(C[6]N[6]2)(CCHH)	C(CC[6]HH)(OC[6])(H)2	C[6](N[6]C[6]Cu)(N[6]C[6])(OC){1|N<2>,2|N<3>}	118.1840	0.000	1	118.1840	0.000	1	118.1840	0.000	1	118.1840	0.000	1	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	4:2:1:1:	3:3:2:	C[6]-3:C-4:	C-4:O-2:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CCHH)	C(CN[5a]HH)(OC[6])(H)2	C[6](C[6]C[6]H)2(OC)	O(C[6]C[6]2)(CCHH)	C(CN[5a]HH)(OC[6])(H)2	C[6](C[6]C[6]H)2(OC){1|N<3>,2|C<3>}	118.8410	0.000	1	118.8410	0.000	1	118.4188	0.455	4	118.4188	0.455	4	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	4:2:1:1:	3:3:2:	C[6]-3:C-4:	C-4:O-2:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(CCHH)	C(CN[6]HH)(OC[6])(H)2	C[6](C[6]C[6]H)2(OC)	O(C[6]C[6]2)(CCHH)	C(CN[6]HH)(OC[6])(H)2	C[6](C[6]C[6]H)2(OC){1|N<3>,2|C<3>}	118.2780	0.750	3	118.2780	0.563	3	118.4188	0.455	4	118.4188	0.455	4	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	4:2:1:1:	4:3:2:	C[6]-3:C-4:	C-4:O-2:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(C[6]C[6]2)(CCHH)	C(CSiHH)(OC[6])(H)2	C[6](C[6]N[6]CH)(C[6]C[6]H)(OC)	O(C[6]C[6]2)(CCHH)	C(CSiHH)(OC[6])(H)2	C[6](C[6]N[6]CH)(C[6]C[6]H)(OC){1|C<4>,1|O<2>,2|H<1>}	117.8160	0.168	2	117.8160	0.028	2	117.8160	0.028	2	117.8160	0.028	2	117.5226	3.961	937	117.4873	3.997	955
893	490	762	0:SP2_SP2_SP3	O	C	C[6]	3:4:	4:2:2:1:	4:3:2:	C[6]-3:C-4:	C-4:O-2:O-2:H-1:	C[6,6]-4:C[6]-3:O-2:	O(C[6]C[6,6]C[6])(CCHO)	C(CC[5]HH)(OC[6])(OC)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5]C[6])(OC)	O(C[6]C[6,6]C[6])(CCHO)	C(CC[5]HH)(OC[6])(OC)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5]C[6])(OC){2|C<3>,3|C<4>,4|H<1>}	116.8430	0.000	1	116.8430	0.000	1	116.8430	0.000	1	116.8430	0.000	1	117.5226	3.961	937	117.4873	3.997	955
893	490	769	0:SP2_SP2_SP3	O	C	C[4a]	3:4:	2:1:1:1:	3:3:2:	C[4a]-3:C-4:	O-2:H-1:H-1:H-1:	C[4a]-3:C[4a]-3:O-2:	O(C[4a]C[4a]2)(CH3)	C(OC[4a])(H)3	C[4a](C[4a]C[4a]C)(C[4a]C[4a]O)(OC)	O(C[4a]C[4a]2)(CH3)	C(OC[4a])(H)3	C[4a](C[4a]C[4a]C)(C[4a]C[4a]O)(OC){1|O<1>}	119.6710	0.000	1	119.6710	0.000	1	117.8937	3.909	3	117.8937	3.909	3	116.8039	1.308	16	116.8039	1.308	16
893	490	769	0:SP2_SP2_SP3	O	C	C[4a]	3:4:	2:1:1:1:	3:3:2:	C[4a]-3:C-4:	O-2:H-1:H-1:H-1:	C[4a]-3:C[4a]-3:O-2:	O(C[4a]C[4a]2)(CH3)	C(OC[4a])(H)3	C[4a](C[4a]C[4a]N)(C[4a]C[4a]O)(OC)	O(C[4a]C[4a]2)(CH3)	C(OC[4a])(H)3	C[4a](C[4a]C[4a]N)(C[4a]C[4a]O)(OC){1|O<1>}	115.7640	0.000	1	115.7640	0.000	1	117.8937	3.909	3	117.8937	3.909	3	116.8039	1.308	16	116.8039	1.308	16
893	490	769	0:SP2_SP2_SP3	O	C	C[4a]	3:4:	2:1:1:1:	3:3:2:	C[4a]-3:C-4:	O-2:H-1:H-1:H-1:	C[4a]-3:C[4a]-3:O-2:	O(C[4a]C[4a]2)(CH3)	C(OC[4a])(H)3	C[4a](C[4a]C[4a]O)2(OC)	O(C[4a]C[4a]2)(CH3)	C(OC[4a])(H)3	C[4a](C[4a]C[4a]O)2(OC){1|O<1>}	118.2460	0.000	1	118.2460	0.000	1	117.8937	3.909	3	117.8937	3.909	3	116.8039	1.308	16	116.8039	1.308	16
893	490	769	0:SP2_SP2_SP3	O	C	C[4a]	3:4:	2:4:1:1:	3:3:2:	C[4a]-3:C-4:	O-2:C-4:H-1:H-1:	C[4a]-3:C[4a]-3:O-2:	O(C[4a]C[4a]2)(CCHH)	C(OC[4a])(CCHH)(H)2	C[4a](C[4a]C[4a]O)2(OC)	O(C[4a]C[4a]2)(CCHH)	C(OC[4a])(CCHH)(H)2	C[4a](C[4a]C[4a]O)2(OC){1|C<3>}	116.4250	0.000	1	116.4250	0.000	1	116.3744	0.508	11	116.3744	0.508	11	116.8039	1.308	16	116.8039	1.308	16
893	490	769	0:SP2_SP2_SP3	O	C	C[4a]	3:4:	2:4:1:1:	3:3:2:	C[4a]-3:C-4:	O-2:C-4:H-1:H-1:	C[4a]-3:C[4a]-3:O-2:	O(C[4a]C[4a]2)(CCHH)	C(OC[4a])(CH3)(H)2	C[4a](C[4a]C[4a]C)(C[4a]C[4a]O)(OC)	O(C[4a]C[4a]2)(CCHH)	C(OC[4a])(CH3)(H)2	C[4a](C[4a]C[4a]C)(C[4a]C[4a]O)(OC){1|O<1>}	116.2477	0.982	4	116.2477	0.964	4	116.3744	0.508	11	116.3744	0.508	11	116.8039	1.308	16	116.8039	1.308	16
893	490	769	0:SP2_SP2_SP3	O	C	C[4a]	3:4:	2:4:1:1:	3:3:2:	C[4a]-3:C-4:	O-2:C-4:H-1:H-1:	C[4a]-3:C[4a]-3:O-2:	O(C[4a]C[4a]2)(CCHH)	C(OC[4a])(CH3)(H)2	C[4a](C[4a]C[4a]N)(C[4a]C[4a]O)(OC)	O(C[4a]C[4a]2)(CCHH)	C(OC[4a])(CH3)(H)2	C[4a](C[4a]C[4a]N)(C[4a]C[4a]O)(OC){1|O<1>}	116.4503	0.646	6	116.4503	0.417	6	116.3744	0.508	11	116.3744	0.508	11	116.8039	1.308	16	116.8039	1.308	16
893	490	769	0:SP2_SP2_SP3	O	C	C[4a]	3:4:	2:4:4:1:	3:3:2:	C[4a]-3:C-4:	O-2:C-4:C-4:H-1:	C[4a]-3:C[4a]-3:O-2:	O(C[4a]C[4a]2)(CCCH)	C(OC[4a])(CH3)2(H)	C[4a](C[4a]C[4a]2)(C[4a]C[4a]O)(OC)	O(C[4a]C[4a]2)(CCCH)	C(OC[4a])(CH3)2(H)	C[4a](C[4a]C[4a]2)(C[4a]C[4a]O)(OC){1|O<1>,2|C<3>}	117.7130	0.000	1	117.7130	0.000	1	117.5315	0.066	2	117.5315	0.066	2	116.8039	1.308	16	116.8039	1.308	16
893	490	769	0:SP2_SP2_SP3	O	C	C[4a]	3:4:	2:4:4:1:	3:3:2:	C[4a]-3:C-4:	O-2:C-4:C-4:H-1:	C[4a]-3:C[4a]-3:O-2:	O(C[4a]C[4a]2)(CCCH)	C(OC[4a])(CH3)2(H)	C[4a](C[4a]C[4a]C[5])(C[4a]C[4a]O)(OC)	O(C[4a]C[4a]2)(CCCH)	C(OC[4a])(CH3)2(H)	C[4a](C[4a]C[4a]C[5])(C[4a]C[4a]O)(OC){1|C<3>,1|O<1>,1|S<2>}	117.3500	0.000	1	117.3500	0.000	1	117.5315	0.066	2	117.5315	0.066	2	116.8039	1.308	16	116.8039	1.308	16
893	490	770	0:SP2_SP2_SP3	O	C	B	3:4:	2:1:1:1:	3:2:2:	B-3:C-4:	O-2:H-1:H-1:H-1:	B[5]-3:O-2:O-2:	O(BB[5]O)(CH3)	C(OB)(H)3	B(B[5]N[5]2)(OC)2	O(BB[5]O)(CH3)	C(OB)(H)3	B(B[5]N[5]2)(OC)2	121.2195	1.315	2	121.2195	1.728	2	121.2195	1.728	2	120.4633	1.451	7	123.8009	20.420	43	123.8009	20.420	43
893	490	770	0:SP2_SP2_SP3	O	C	B	3:4:	2:1:1:1:	3:2:2:	B-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:O-2:O-2:	O(BC[6a]O)(CH3)	C(OB)(H)3	B(C[6a]C[6a]2)(OC)(OH)	O(BC[6a]O)(CH3)	C(OB)(H)3	B(C[6a]C[6a]2)(OC)(OH)	119.6817	0.512	4	119.6817	0.262	4	120.1608	1.344	5	120.4633	1.451	7	123.8009	20.420	43	123.8009	20.420	43
893	490	770	0:SP2_SP2_SP3	O	C	B	3:4:	2:1:1:1:	3:2:2:	B-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:O-2:O-2:	O(BC[6a]O)(CH3)	C(OB)(H)3	B(C[6a]C[6a]2)(OC)2	O(BC[6a]O)(CH3)	C(OB)(H)3	B(C[6a]C[6a]2)(OC)2	122.0770	0.000	1	122.0770	0.000	1	120.1608	1.344	5	120.4633	1.451	7	123.8009	20.420	43	123.8009	20.420	43
893	490	770	0:SP2_SP2_SP3	O	C	B	3:4:	2:1:1:1:	3:3:2:	B-3:C-4:	O-2:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:O-2:	O(BC[5a]C[6a])(CH3)	C(OB)(H)3	B(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(OC)	O(BC[5a]C[6a])(CH3)	C(OB)(H)3	B(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(OC)	123.0975	0.040	2	123.0975	0.002	2	123.0975	0.002	2	123.0975	0.002	2	123.8009	20.420	43	123.8009	20.420	43
893	490	770	0:SP2_SP2_SP3	O	C	B	3:4:	2:1:1:1:	4:2:1:	B-3:C-4:	O-2:H-1:H-1:H-1:	C[5]-4:O-2:Br-1:	O(BC[5]Br)(CH3)	C(OB)(H)3	B(C[5]C[5]2Fe)(OC)(Br)	O(BC[5]Br)(CH3)	C(OB)(H)3	B(C[5]C[5]2Fe)(OC)(Br)	125.8260	0.000	1	125.8260	0.000	1	125.8260	0.000	1	125.8260	0.000	1	123.8009	20.420	43	123.8009	20.420	43
893	490	770	0:SP2_SP2_SP3	O	C	B	3:4:	2:1:1:1:	4:2:2:	B-3:C-4:	O-2:H-1:H-1:H-1:	C[5]-4:O-2:O-2:	O(BC[5]O)(CH3)	C(OB)(H)3	B(C[5]C[5]2Fe)(OC)2	O(BC[5]O)(CH3)	C(OB)(H)3	B(C[5]C[5]2Fe)(OC)2	121.5295	2.551	2	121.5295	6.505	2	121.5295	6.505	2	121.7315	4.817	4	123.8009	20.420	43	123.8009	20.420	43
893	490	770	0:SP2_SP2_SP3	O	C	B	3:4:	2:1:1:1:	4:2:2:	B-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:O-2:O-2:	O(BC[6]O)(CH3)	C(OB)(H)3	B(C[6]B[4x3,3x5,13x6]C[6]H)(OC)2	O(BC[6]O)(CH3)	C(OB)(H)3	B(C[6]B[4x3,3x5,13x6]C[6]H)(OC)2	121.9335	2.790	2	121.9335	7.782	2	121.9335	7.782	2	121.7315	4.817	4	123.8009	20.420	43	123.8009	20.420	43
893	490	770	0:SP2_SP2_SP3	O	C	B	3:4:	2:1:1:1:	4:4:2:	B-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6]-4:C[6,6]-4:O-2:	O(BC[6,6]2)(CH3)	C(OB)(H)3	B(C[6,6]C[6,6]2H)2(OC)	O(BC[6,6]2)(CH3)	C(OB)(H)3	B(C[6,6]C[6,6]2H)2(OC)	124.7080	0.000	1	124.7080	0.000	1	124.7080	0.000	1	124.7080	0.000	1	123.8009	20.420	43	123.8009	20.420	43
893	490	770	0:SP2_SP2_SP3	O	C	B	3:4:	2:2:1:1:	3:3:2:	B-3:C-4:	O-2:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(BC[6a]2)(CHHO)	C(OB)2(H)2	B(C[6a]C[6a]2)2(OC)	O(BC[6a]2)(CHHO)	C(OB)2(H)2	B(C[6a]C[6a]2)2(OC)	122.2850	1.656	2	122.2850	2.742	2	122.2850	2.742	2	122.2850	2.742	2	123.8009	20.420	43	123.8009	20.420	43
893	490	770	0:SP2_SP2_SP3	O	C	B	3:4:	3:2:1:1:	3:3:2:	B-3:C-4:	C-3:O-2:H-1:H-1:	C[6a]-3:C-3:O-2:	O(BC[6a]C)(CCHH)	C(CCC)(OB)(H)2	B(C[6a]C[6a]2)(CC[6a]C)(OC)	O(BC[6a]C)(CCHH)	C(CCC)(OB)(H)2	B(C[6a]C[6a]2)(CC[6a]C)(OC)	124.1430	0.000	1	124.1430	0.000	1	124.1430	0.000	1	124.1430	0.000	1	123.8009	20.420	43	123.8009	20.420	43
893	490	770	0:SP2_SP2_SP3	O	C	B	3:4:	4:2:1:1:	3:2:2:	B-3:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:O-2:O-2:	O(BC[6a]O)(CCHH)	C(CC[6a]HN)(OB)(H)2	B(C[6a]C[6a]2)(OC)2	O(BC[6a]O)(CCHH)	C(CC[6a]HN)(OB)(H)2	B(C[6a]C[6a]2)(OC)2	117.8480	0.000	1	117.8480	0.000	1	122.3955	41.360	2	122.3955	41.360	2	123.8009	20.420	43	123.8009	20.420	43
893	490	770	0:SP2_SP2_SP3	O	C	B	3:4:	4:2:1:1:	3:2:2:	B-3:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:O-2:O-2:	O(BC[6a]O)(CCHH)	C(CN[6]HH)(OB)(H)2	B(C[6a]C[6a]2)(OB[6])(OC)	O(BC[6a]O)(CCHH)	C(CN[6]HH)(OB)(H)2	B(C[6a]C[6a]2)(OB[6])(OC)	126.9430	0.000	1	126.9430	0.000	1	122.3955	41.360	2	122.3955	41.360	2	123.8009	20.420	43	123.8009	20.420	43
893	490	770	0:SP2_SP2_SP3	O	C	B	3:4:	4:2:1:1:	3:3:2:	B-3:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-3:O-2:	O(BC[6a]C)(CCHH)	C(CC[6a]2C)(OB)(H)2	B(C[6a]C[6a]2)(CC[6a]C)(OC)	O(BC[6a]C)(CCHH)	C(CC[6a]2C)(OB)(H)2	B(C[6a]C[6a]2)(CC[6a]C)(OC)	120.6230	0.000	1	120.6230	0.000	1	120.6230	0.000	1	123.5525	17.164	2	123.8009	20.420	43	123.8009	20.420	43
893	490	770	0:SP2_SP2_SP3	O	C	B	3:4:	4:2:1:1:	3:3:2:	B-3:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(BC[6a]2)(CCHH)	C(CH3)(OB)(H)2	B(C[6a]C[6a]2)2(OC)	O(BC[6a]2)(CCHH)	C(CH3)(OB)(H)2	B(C[6a]C[6a]2)2(OC)	126.4820	0.000	1	126.4820	0.000	1	126.4820	0.000	1	123.5525	17.164	2	123.8009	20.420	43	123.8009	20.420	43
893	490	770	0:SP2_SP2_SP3	O	C	B	3:4:	4:4:2:1:	3:2:2:	B-3:C-4:	C-4:C-4:O-2:H-1:	C[6a]-3:O-2:O-2:	O(BC[6a]O)(CCCH)	C(CN[6]HH)(CH3)(OB)(H)	B(C[6a]C[6a]2)(OB[6])(OC)	O(BC[6a]O)(CCCH)	C(CN[6]HH)(CH3)(OB)(H)	B(C[6a]C[6a]2)(OB[6])(OC)	129.5350	0.000	1	129.5350	0.000	1	129.5350	0.000	1	129.5350	0.000	1	123.8009	20.420	43	123.8009	20.420	43
893	490	770	0:SP2_SP2_SP3	O	C	B	3:4:	4:4:2:1:	3:3:2:	B-3:C-4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-3:O-2:	O(BC[6a]C)(CCCH)	C(CH3)2(OB)(H)	B(C[6a]C[6a]2)(CC[6]Te)(OC)	O(BC[6a]C)(CCCH)	C(CH3)2(OB)(H)	B(C[6a]C[6a]2)(CC[6]Te)(OC)	123.8520	0.000	1	123.8520	0.000	1	123.8520	0.000	1	123.8520	0.000	1	123.8009	20.420	43	123.8009	20.420	43
893	490	770	0:SP2_SP2_SP3	O	C	B	4:3:	3:2:1:1:	3:3:2:	C-4:B-3:	C[6a]-3:O-2:H-1:H-1:	C-3:C-3:O-2:	O(CC[6a]HH)(BCC)	C(C[6a]C[6a]2)(OB)(H)2	B(CC[6a]C)(CCH)(OC)	O(CC[6a]HH)(BCC)	C(C[6a]C[6a]2)(OB)(H)2	B(CC[6a]C)(CCH)(OC)	123.7590	1.687	2	123.7590	2.846	2	127.3370	39.830	3	126.4730	29.539	4	123.8009	20.420	43	123.8009	20.420	43
893	490	770	0:SP2_SP2_SP3	O	C	B	4:3:	3:2:1:1:	3:3:2:	C-4:B-3:	C[6a]-3:O-2:H-1:H-1:	C-3:C-3:O-2:	O(CC[6a]HH)(BCC)	C(C[6a]C[6a]2)(OB)(H)2	B(CC[6a]C)2(OC)	O(CC[6a]HH)(BCC)	C(C[6a]C[6a]2)(OB)(H)2	B(CC[6a]C)2(OC)	134.4930	0.000	1	134.4930	0.000	1	127.3370	39.830	3	126.4730	29.539	4	123.8009	20.420	43	123.8009	20.420	43
893	490	770	0:SP2_SP2_SP3	O	C	B	4:3:	3:2:1:1:	3:3:2:	C-4:B-3:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:	O(CC[6a]HH)(BC[6a]2)	C(C[6a]C[6a]2)(OB)(H)2	B(C[6a]C[6a]2)2(OC)	O(CC[6a]HH)(BC[6a]2)	C(C[6a]C[6a]2)(OB)(H)2	B(C[6a]C[6a]2)2(OC)	123.8810	0.000	1	123.8810	0.000	1	123.8810	0.000	1	126.4730	29.539	4	123.8009	20.420	43	123.8009	20.420	43
893	490	770	0:SP2_SP2_SP3	O	C	B	4:3:	3:3:2:1:	3:3:2:	C-4:B-3:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C-3:O-2:	O(CC[6a]CH)(BC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(OB)(H)	B(C[6a]C[6a]2)(CC[6a]C)(OC)	O(CC[6a]CH)(BC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(OB)(H)	B(C[6a]C[6a]2)(CC[6a]C)(OC)	117.5120	0.522	2	117.5120	0.272	2	117.5120	0.272	2	123.7533	116.999	3	123.8009	20.420	43	123.8009	20.420	43
893	490	770	0:SP2_SP2_SP3	O	C	B	4:3:	3:3:2:1:	3:3:2:	C-4:B-3:	C[6a]-3:C[6a]-3:O-2:H-1:	C-3:C-3:O-2:	O(CC[6a]2H)(BCC)	C(C[6a]C[6a]2)2(OB)(H)	B(CC[6a]C)2(OC)	O(CC[6a]2H)(BCC)	C(C[6a]C[6a]2)2(OB)(H)	B(CC[6a]C)2(OC)	136.2360	0.000	1	136.2360	0.000	1	136.2360	0.000	1	123.7533	116.999	3	123.8009	20.420	43	123.8009	20.420	43
893	490	770	0:SP2_SP2_SP3	O	C	B	4:3:	3:3:3:2:	3:3:2:	C-4:B-3:	C[6a]-3:C[6a]-3:C-3:O-2:	C[6a]-3:C-3:O-2:	O(CC[6a]2C)(BC[6a]C)	C(C[6a]C[6a]2)2(CCC)(OB)	B(C[6a]C[6a]2)(CCC)(OC)	O(CC[6a]2C)(BC[6a]C)	C(C[6a]C[6a]2)2(CCC)(OB)	B(C[6a]C[6a]2)(CCC)(OC)	123.8945	0.402	2	123.8945	0.162	2	124.0620	0.165	3	124.0620	0.165	3	123.8009	20.420	43	123.8009	20.420	43
893	490	770	0:SP2_SP2_SP3	O	C	B	4:3:	3:3:3:2:	3:3:2:	C-4:B-3:	C[6a]-3:C[6a]-3:C-3:O-2:	C[6a]-3:C-3:O-2:	O(CC[6a]2C)(BC[6a]C)	C(C[6a]C[6a]2)2(CC[6a]C)(OB)	B(C[6a]C[6a]2)(CC[6a]C)(OC)	O(CC[6a]2C)(BC[6a]C)	C(C[6a]C[6a]2)2(CC[6a]C)(OB)	B(C[6a]C[6a]2)(CC[6a]C)(OC)	124.3970	0.000	1	124.3970	0.000	1	124.0620	0.165	3	124.0620	0.165	3	123.8009	20.420	43	123.8009	20.420	43
893	490	770	0:SP2_SP2_SP3	O	C	B	4:3:	4:3:2:1:	3:3:2:	C-4:B-3:	Ga[6]-4:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:	O(CC[6a]Ga[6]H)(BC[6a]2)	C(Ga[6]C[6a]N[6]2)(C[6a]C[6a]2)(OB)(H)	B(C[6a]C[6a]2)2(OC)	O(CC[6a]Ga[6]H)(BC[6a]2)	C(Ga[6]C[6a]N[6]2)(C[6a]C[6a]2)(OB)(H)	B(C[6a]C[6a]2)2(OC)	125.0100	0.000	1	125.0100	0.000	1	125.0100	0.000	1	125.0100	0.000	1	123.8009	20.420	43	123.8009	20.420	43
893	490	770	0:SP2_SP2_SP3	O	C	B	4:3:	4:4:2:1:	2:2:2:	C-4:B-3:	C-4:C-4:O-2:H-1:	O-2:O-2:O-2:	O(CCCH)(BOO)	C(CF3)2(OB)(H)	B(OC)3	O(CCCH)(BOO)	C(CF3)2(OB)(H)	B(OC)3	121.8156	0.494	5	121.8156	0.244	5	121.8156	0.244	5	121.8156	0.244	5	123.8009	20.420	43	123.8009	20.420	43
893	490	770	0:SP2_SP2_SP3	O	C	B	4:3:	4:4:4:2:	2:2:2:	C-4:B-3:	C-4:C-4:C-4:O-2:	O-2:O-2:O-2:	O(CC3)(BOO)	C(CF3)3(OB)	B(OC)3	O(CC3)(BOO)	C(CF3)3(OB)	B(OC)3	133.0400	0.534	3	133.0400	0.285	3	133.0400	0.285	3	133.0400	0.285	3	123.8009	20.420	43	123.8009	20.420	43
893	490	786	0:SP3_SP3_SP3	O	C	B[5]	4:4:	2:1:1:1:	3:3:3:2:	B[5]-4:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:O[5]-3:O[5]-3:O-2:	O(B[5]C[5,6a]O[5]2)(CH3)	C(OB[5])(H)3	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5]I[5])2(OC)	O(B[5]C[5,6a]O[5]2)(CH3)	C(OB[5])(H)3	B[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5]I[5])2(OC){1|F<1>,2|O<3>,4|O<2>,5|C<3>}	118.1658	0.746	4	118.1658	0.557	4	118.1658	0.557	4	118.1658	0.557	4	117.9229	2.627	14	117.9229	2.627	14
893	490	786	0:SP3_SP3_SP3	O	C	B[5]	4:4:	2:1:1:1:	4:4:2:2:	B[5]-4:C-4:	O-2:H-1:H-1:H-1:	C[5]-4:N[5]-4:O-2:O-2:	O(B[5]C[5]N[5]O)(CH3)	C(OB[5])(H)3	B[5](C[5]C[5]CH)(N[5]C[5]HH)(OC)2	O(B[5]C[5]N[5]O)(CH3)	C(OB[5])(H)3	B[5](C[5]C[5]CH)(N[5]C[5]HH)(OC)2{4|H<1>}	116.3810	1.608	4	116.3810	2.585	4	116.3810	2.585	4	116.3810	2.585	4	117.9229	2.627	14	117.9229	2.627	14
893	490	786	0:SP3_SP3_SP3	O	C	B[5]	4:4:	2:4:1:1:	3:2:2:2:	B[5]-4:C-4:	O-2:C-4:H-1:H-1:	C[5]-3:O[5]-2:O[5]-2:O-2:	O(B[5]C[5]O[5]2)(CCHH)	C(OB[5])(CHHO)(H)2	B[5](C[5]N[5]2)(O[5]C[5])2(OC)	O(B[5]C[5]O[5]2)(CCHH)	C(OB[5])(CHHO)(H)2	B[5](C[5]N[5]2)(O[5]C[5])2(OC){2|C<3>,2|C<4>,4|H<1>}	117.1035	1.085	2	117.1035	1.178	2	117.1035	1.178	2	117.1035	1.178	2	117.9229	2.627	14	117.9229	2.627	14
893	490	786	0:SP3_SP3_SP3	O	C	B[5]	4:4:	2:4:1:1:	3:3:4:2:	B[5]-4:C-4:	O-2:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:O-2:	O(B[5]C[5,6a]C[6a]C[5])(CCHH)	C(OB[5])(CH3)(H)2	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(OC)	O(B[5]C[5,6a]C[6a]C[5])(CCHH)	C(OB[5])(CH3)(H)2	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]P[5]HH)(OC){2|C<4>,3|F<1>,4|C<3>}	119.6317	0.508	4	119.6317	0.258	4	119.6317	0.258	4	119.6317	0.258	4	117.9229	2.627	14	117.9229	2.627	14
893	490	811	0:SP3_SP3_SP3	O	C	B[6,6a]	4:4:	2:1:1:1:	3:3:2:2:	B[6,6a]-4:C-4:	O-2:H-1:H-1:H-1:	C[6,6a]-3:N[6,6a]-3:O[6a]-2:O-2:	O(B[6,6a]C[6,6a]N[6,6a]O[6a])(CH3)	C(OB[6,6a])(H)3	B[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a,6a]C[6])(O[6a]B[6a])(OC)	O(B[6,6a]C[6,6a]N[6,6a]O[6a])(CH3)	C(OB[6,6a])(H)3	B[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a,6a]C[6])(O[6a]B[6a])(OC){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	119.2630	0.000	1	119.2630	0.000	1	119.2630	0.000	1	119.2630	0.000	1	119.2630	0.000	1	119.2630	0.000	1
893	490	813	0:SP3_SP2_SP3	O	C	N[5a]	3:4:	2:1:1:1:	3:2:2:	N[5a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:O-2:	O(N[5a]C[5a]N[5a])(CH3)	C(ON[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(OC)	O(N[5a]C[5a]N[5a])(CH3)	C(ON[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(OC){1|C<3>}	111.1020	0.000	1	111.1020	0.000	1	110.9620	0.603	11	110.9620	0.603	11	110.8357	0.785	26	110.8357	0.785	26
893	490	813	0:SP3_SP2_SP3	O	C	N[5a]	3:4:	2:1:1:1:	3:2:2:	N[5a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:O-2:	O(N[5a]C[5a]N[5a])(CH3)	C(ON[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]O[5a])(OC)	O(N[5a]C[5a]N[5a])(CH3)	C(ON[5a])(H)3	N[5a](C[5a]C[5a]C)(N[5a]O[5a])(OC){1|O<1>}	113.0410	0.000	1	113.0410	0.000	1	110.9620	0.603	11	110.9620	0.603	11	110.8357	0.785	26	110.8357	0.785	26
893	490	813	0:SP3_SP2_SP3	O	C	N[5a]	3:4:	2:1:1:1:	3:2:2:	N[5a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:O-2:	O(N[5a]C[5a]N[5a])(CH3)	C(ON[5a])(H)3	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(OC)	O(N[5a]C[5a]N[5a])(CH3)	C(ON[5a])(H)3	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(OC)	110.7154	0.378	9	110.7154	0.143	9	110.9620	0.603	11	110.9620	0.603	11	110.8357	0.785	26	110.8357	0.785	26
893	490	813	0:SP3_SP2_SP3	O	C	N[5a]	3:4:	2:1:1:1:	3:3:2:	N[5a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,5a]-3:C[5a,6a]-3:O-2:	O(N[5a]C[5a,5a]C[5a,6a])(CH3)	C(ON[5a])(H)3	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(OC)	O(N[5a]C[5a,5a]C[5a,6a])(CH3)	C(ON[5a])(H)3	N[5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(OC){1|H<1>,1|N<2>,3|C<3>}	109.4460	0.000	1	109.4460	0.000	1	109.4460	0.000	1	110.1068	0.366	5	110.8357	0.785	26	110.8357	0.785	26
893	490	813	0:SP3_SP2_SP3	O	C	N[5a]	3:4:	2:1:1:1:	3:3:2:	N[5a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:O-2:	O(N[5a]C[5a,6a]C[5a])(CH3)	C(ON[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(OC)	O(N[5a]C[5a,6a]C[5a])(CH3)	C(ON[5a])(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(OC){1|C<2>,1|H<1>,2|C<3>}	110.5205	0.449	2	110.5205	0.202	2	110.5205	0.202	2	110.1068	0.366	5	110.8357	0.785	26	110.8357	0.785	26
893	490	813	0:SP3_SP2_SP3	O	C	N[5a]	3:4:	2:1:1:1:	3:3:2:	N[5a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:O-2:	O(N[5a]C[5a]2)(CH3)	C(ON[5a])(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(OC)	O(N[5a]C[5a]2)(CH3)	C(ON[5a])(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)(OC){1|H<1>,3|C<3>}	109.5380	0.000	1	109.5380	0.000	1	110.0235	0.471	2	110.1068	0.366	5	110.8357	0.785	26	110.8357	0.785	26
893	490	813	0:SP3_SP2_SP3	O	C	N[5a]	3:4:	2:1:1:1:	3:3:2:	N[5a]-3:C-4:	O-2:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:O-2:	O(N[5a]C[5a]2)(CH3)	C(ON[5a])(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(OC)	O(N[5a]C[5a]2)(CH3)	C(ON[5a])(H)3	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(OC){1|H<1>}	110.5090	0.000	1	110.5090	0.000	1	110.0235	0.471	2	110.1068	0.366	5	110.8357	0.785	26	110.8357	0.785	26
893	490	813	0:SP3_SP2_SP3	O	C	N[5a]	3:4:	2:2:1:1:	3:2:2:	N[5a]-3:C-4:	O-2:O-2:H-1:H-1:	C[5a,6a]-3:N[5a]-2:O-2:	O(N[5a]C[5a,6a]N[5a])(CHHO)	C(ON[5a])2(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OC)	O(N[5a]C[5a,6a]N[5a])(CHHO)	C(ON[5a])2(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OC){1|H<1>,2|C<3>}	111.4175	0.111	2	111.4175	0.012	2	111.4175	0.012	2	111.4175	0.012	2	110.8357	0.785	26	110.8357	0.785	26
893	490	813	0:SP3_SP2_SP3	O	C	N[5a]	3:4:	2:4:1:1:	3:2:2:	N[5a]-3:C-4:	O-2:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:O-2:	O(N[5a]C[5a]N[5a])(CCHH)	C(ON[5a])(CHHO)(H)2	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(OC)	O(N[5a]C[5a]N[5a])(CCHH)	C(ON[5a])(CHHO)(H)2	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(OC)	110.8997	0.795	4	110.8997	0.632	4	110.8997	0.632	4	110.8997	0.632	4	110.8357	0.785	26	110.8357	0.785	26
893	490	813	0:SP3_SP2_SP3	O	C	N[5a]	3:4:	3:2:1:1:	3:2:2:	N[5a]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[5a,6a]-3:N[5a]-2:O-2:	O(N[5a]C[5a,6a]N[5a])(CC[6a]HH)	C(C[6a]C[6a]2)(ON[5a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OC)	O(N[5a]C[5a,6a]N[5a])(CC[6a]HH)	C(C[6a]C[6a]2)(ON[5a])(H)2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OC){1|H<1>,2|C<3>}	110.3583	0.655	3	110.3583	0.430	3	110.3583	0.430	3	110.3583	0.430	3	110.8357	0.785	26	110.8357	0.785	26
893	490	813	0:SP3_SP2_SP3	O	C	N[5a]	3:4:	3:4:2:1:	3:2:2:	N[5a]-3:C-4:	C[6a]-3:C[5]-4:O-2:H-1:	C[5a,6a]-3:N[5a]-2:O-2:	O(N[5a]C[5a,6a]N[5a])(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(ON[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OC)	O(N[5a]C[5a,6a]N[5a])(CC[6a]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(ON[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OC){1|H<1>,2|C<3>}	113.1030	0.000	1	113.1030	0.000	1	113.1030	0.000	1	113.1030	0.000	1	110.8357	0.785	26	110.8357	0.785	26
893	490	818	0:SP2_SP2_SP3	O	C	C[5,6]	3:4:	2:1:1:1:	4:3:2:	C[5,6]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:O-2:	O(C[5,6]C[5,5,6]C[5,6])(CH3)	C(OC[5,6])(H)3	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]O)(OC)	O(C[5,6]C[5,5,6]C[5,6])(CH3)	C(OC[5,6])(H)3	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]O)(OC){2|C<4>,2|H<1>}	116.4575	0.220	2	116.4575	0.048	2	116.4575	0.048	2	116.4575	0.048	2	116.4575	0.048	2	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:1:1:1:	2:2:2:	C[5]-3:C-4:	O-2:H-1:H-1:H-1:	N[5]-2:S[5]-2:O-2:	O(C[5]N[5]S[5])(CH3)	C(OC[5])(H)3	C[5](N[5]C[5,6])(S[5]C[5])(OC)	O(C[5]N[5]S[5])(CH3)	C(OC[5])(H)3	C[5](N[5]C[5,6])(S[5]C[5])(OC){1|H<1>,3|C<3>}	115.5570	0.000	1	115.5570	0.000	1	115.5570	0.000	1	115.5570	0.000	1	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:1:1:1:	3:2:2:	C[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:N[5]-2:O-2:	O(C[5]C[5,6a]N[5])(CH3)	C(OC[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(OC)	O(C[5]C[5,6a]N[5])(CH3)	C(OC[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(OC){1|H<1>,1|N<2>,2|C<3>}	115.8360	0.000	1	115.8360	0.000	1	115.8360	0.000	1	116.0328	4.969	10	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:1:1:1:	3:2:2:	C[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5]-3:C[5]-2:O-2:	O(C[5]C[5]2)(CH3)	C(OC[5])(H)3	C[5](C[5]C[5]H)(C[5]S[5])(OC)	O(C[5]C[5]2)(CH3)	C(OC[5])(H)3	C[5](C[5]C[5]H)(C[5]S[5])(OC)	114.8200	0.000	1	114.8200	0.000	1	114.8200	0.000	1	116.0328	4.969	10	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:1:1:1:	3:2:2:	C[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5]-3:N[5]-2:O-2:	O(C[5]C[5]N[5])(CH3)	C(OC[5])(H)3	C[5](C[5]C[5]H)(N[5]C[5])(OC)	O(C[5]C[5]N[5])(CH3)	C(OC[5])(H)3	C[5](C[5]C[5]H)(N[5]C[5])(OC){1|C<3>,1|H<1>}	115.2654	0.858	5	115.2654	0.737	5	114.9802	1.078	6	116.0328	4.969	10	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:1:1:1:	3:2:2:	C[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5]-3:N[5]-2:O-2:	O(C[5]C[5]N[5])(CH3)	C(OC[5])(H)3	C[5](C[5]N[5]Br)(N[5]O[5])(OC)	O(C[5]C[5]N[5])(CH3)	C(OC[5])(H)3	C[5](C[5]N[5]Br)(N[5]O[5])(OC){1|O<1>}	113.5540	0.000	1	113.5540	0.000	1	114.9802	1.078	6	116.0328	4.969	10	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:1:1:1:	3:2:2:	C[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5]-3:O[5]-2:O-2:	O(C[5]C[5]O[5])(CH3)	C(OC[5])(H)3	C[5](C[5]C[5,5]C)(O[5]C[5,5])(OC)	O(C[5]C[5]O[5])(CH3)	C(OC[5])(H)3	C[5](C[5]C[5,5]C)(O[5]C[5,5])(OC){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	119.0790	0.000	1	119.0790	0.000	1	119.8955	1.333	2	116.0328	4.969	10	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:1:1:1:	3:2:2:	C[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5]-3:O[5]-2:O-2:	O(C[5]C[5]O[5])(CH3)	C(OC[5])(H)3	C[5](C[5]P[5]C)(O[5]C[5])(OC)	O(C[5]C[5]O[5])(CH3)	C(OC[5])(H)3	C[5](C[5]P[5]C)(O[5]C[5])(OC){1|C<4>,1|O<1>,2|H<1>}	120.7120	0.000	1	120.7120	0.000	1	119.8955	1.333	2	116.0328	4.969	10	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:1:1:1:	3:3:2:	C[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,5]-3:C[5]-3:O-2:	O(C[5]C[5,5]C[5])(CH3)	C(OC[5])(H)3	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(OC)	O(C[5]C[5,5]C[5])(CH3)	C(OC[5])(H)3	C[5](C[5,5]C[5,5]C[5])(C[5]C[6a]C[5])(OC){1|H<1>,2|C<3>,3|C<4>}	115.3530	0.000	1	115.3530	0.000	1	115.3530	0.000	1	117.0278	5.492	25	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:1:1:1:	3:3:2:	C[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:O-2:	O(C[5]C[5,6a]C[5])(CH3)	C(OC[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(OC)	O(C[5]C[5,6a]C[5])(CH3)	C(OC[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(OC){1|H<1>,1|O<1>,2|C<3>}	119.6150	0.000	1	119.6150	0.000	1	119.6150	0.000	1	117.0278	5.492	25	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:1:1:1:	3:3:2:	C[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5]-3:C[5]-3:O-2:	O(C[5]C[5]2)(CH3)	C(OC[5])(H)3	C[5](C[5]C[5,6]C)(C[5]O[5]O)(OC)	O(C[5]C[5]2)(CH3)	C(OC[5])(H)3	C[5](C[5]C[5,6]C)(C[5]O[5]O)(OC){1|C<3>,1|C<4>}	121.0670	0.000	1	121.0670	0.000	1	117.0234	5.793	22	117.0278	5.492	25	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:1:1:1:	3:3:2:	C[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5]-3:C[5]-3:O-2:	O(C[5]C[5]2)(CH3)	C(OC[5])(H)3	C[5](C[5]C[5]C)(C[5]C[5]H)(OC)	O(C[5]C[5]2)(CH3)	C(OC[5])(H)3	C[5](C[5]C[5]C)(C[5]C[5]H)(OC){2|C<3>}	116.4890	0.000	1	116.4890	0.000	1	117.0234	5.793	22	117.0278	5.492	25	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:1:1:1:	3:3:2:	C[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5]-3:C[5]-3:O-2:	O(C[5]C[5]2)(CH3)	C(OC[5])(H)3	C[5](C[5]C[5]C)(C[5]O[5]O)(OC)	O(C[5]C[5]2)(CH3)	C(OC[5])(H)3	C[5](C[5]C[5]C)(C[5]O[5]O)(OC){1|C<3>,1|H<1>}	119.7530	0.000	1	119.7530	0.000	1	117.0234	5.793	22	117.0278	5.492	25	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:1:1:1:	3:3:2:	C[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5]-3:C[5]-3:O-2:	O(C[5]C[5]2)(CH3)	C(OC[5])(H)3	C[5](C[5]C[5]Cl)(C[5]N[5]C)(OC)	O(C[5]C[5]2)(CH3)	C(OC[5])(H)3	C[5](C[5]C[5]Cl)(C[5]N[5]C)(OC){1|C<3>}	115.2515	0.786	2	115.2515	0.617	2	117.0234	5.793	22	117.0278	5.492	25	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:1:1:1:	3:3:2:	C[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5]-3:C[5]-3:O-2:	O(C[5]C[5]2)(CH3)	C(OC[5])(H)3	C[5](C[5]C[5]H)(C[5]N[5]C)(OC)	O(C[5]C[5]2)(CH3)	C(OC[5])(H)3	C[5](C[5]C[5]H)(C[5]N[5]C)(OC){1|C<3>}	114.8680	0.000	2	114.8680	0.000	2	117.0234	5.793	22	117.0278	5.492	25	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:1:1:1:	3:3:2:	C[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5]-3:C[5]-3:O-2:	O(C[5]C[5]2)(CH3)	C(OC[5])(H)3	C[5](C[5]C[5]O)(C[5]N[5]C)(OC)	O(C[5]C[5]2)(CH3)	C(OC[5])(H)3	C[5](C[5]C[5]O)(C[5]N[5]C)(OC){1|C<3>}	118.2423	3.228	3	118.2423	10.421	3	117.0234	5.793	22	117.0278	5.492	25	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:1:1:1:	3:3:2:	C[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5]-3:C[5]-3:O-2:	O(C[5]C[5]2)(CH3)	C(OC[5])(H)3	C[5](C[5]C[5]O)2(OC)	O(C[5]C[5]2)(CH3)	C(OC[5])(H)3	C[5](C[5]C[5]O)2(OC){1|C<3>,1|O<1>}	117.9633	1.382	4	117.9633	1.910	4	117.0234	5.793	22	117.0278	5.492	25	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:1:1:1:	3:3:2:	C[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5]-3:C[5]-3:O-2:	O(C[5]C[5]2)(CH3)	C(OC[5])(H)3	C[5](C[5]C[5]O[5])(C[5]C[5]C)(OC)	O(C[5]C[5]2)(CH3)	C(OC[5])(H)3	C[5](C[5]C[5]O[5])(C[5]C[5]C)(OC){1|C<4>,1|O<1>,1|O<2>}	118.7340	0.000	1	118.7340	0.000	1	117.0234	5.793	22	117.0278	5.492	25	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:1:1:1:	3:3:2:	C[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5]-3:C[5]-3:O-2:	O(C[5]C[5]2)(CH3)	C(OC[5])(H)3	C[5](C[5]C[5a]C[5])(C[5]C[5]O)(OC)	O(C[5]C[5]2)(CH3)	C(OC[5])(H)3	C[5](C[5]C[5a]C[5])(C[5]C[5]O)(OC){1|O<1>,4|C<3>}	121.4080	0.000	1	121.4080	0.000	1	117.0234	5.793	22	117.0278	5.492	25	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:1:1:1:	3:3:2:	C[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5]-3:C[5]-3:O-2:	O(C[5]C[5]2)(CH3)	C(OC[5])(H)3	C[5](C[5]C[5a]N[5])(C[5]C[5]Cl)(OC)	O(C[5]C[5]2)(CH3)	C(OC[5])(H)3	C[5](C[5]C[5a]N[5])(C[5]C[5]Cl)(OC){1|N<3>,2|C<3>}	114.9110	0.000	1	114.9110	0.000	1	117.0234	5.793	22	117.0278	5.492	25	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:1:1:1:	3:3:2:	C[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5]-3:C[5]-3:O-2:	O(C[5]C[5]2)(CH3)	C(OC[5])(H)3	C[5](C[5]C[5a]N[5])(C[5]C[5]O)(OC)	O(C[5]C[5]2)(CH3)	C(OC[5])(H)3	C[5](C[5]C[5a]N[5])(C[5]C[5]O)(OC){1|N<3>,2|C<3>}	114.2590	0.000	1	114.2590	0.000	1	117.0234	5.793	22	117.0278	5.492	25	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:1:1:1:	3:3:2:	C[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5]-3:C[5]-3:O-2:	O(C[5]C[5]2)(CH3)	C(OC[5])(H)3	C[5](C[5]Se[5]H)(C[5]C[5]O)(OC)	O(C[5]C[5]2)(CH3)	C(OC[5])(H)3	C[5](C[5]Se[5]H)(C[5]C[5]O)(OC){1|H<1>}	115.2687	0.285	4	115.2687	0.082	4	117.0234	5.793	22	117.0278	5.492	25	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:1:1:1:	3:3:2:	C[5]-3:C-4:	O-2:H-1:H-1:H-1:	N[5]-3:C[5]-3:O-2:	O(C[5]C[5]N[5])(CH3)	C(OC[5])(H)3	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(OC)	O(C[5]C[5]N[5])(CH3)	C(OC[5])(H)3	C[5](N[5]C[6a]N[5])(C[5]C[5]H)(OC){1|Pd<4>,1|C<4>,2|C<3>}	116.2110	0.000	1	116.2110	0.000	1	116.2110	0.000	1	117.0278	5.492	25	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:1:1:1:	3:4:2:	C[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5]-3:C[5]-4:O-2:	O(C[5]C[5]2)(CH3)	C(OC[5])(H)3	C[5](C[5]C[5,5]H)(C[5]C[5]HO)(OC)	O(C[5]C[5]2)(CH3)	C(OC[5])(H)3	C[5](C[5]C[5,5]H)(C[5]C[5]HO)(OC){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	114.6085	0.378	2	114.6085	0.143	2	117.3116	7.068	5	117.3116	7.068	5	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:1:1:1:	3:4:2:	C[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5]-3:C[5]-4:O-2:	O(C[5]C[5]2)(CH3)	C(OC[5])(H)3	C[5](C[5]C[6a]C[5])(C[5]C[5]2C)(OC)	O(C[5]C[5]2)(CH3)	C(OC[5])(H)3	C[5](C[5]C[6a]C[5])(C[5]C[5]2C)(OC){1|O<2>,3|C<3>,5|H<1>}	117.5460	0.000	1	117.5460	0.000	1	117.3116	7.068	5	117.3116	7.068	5	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:1:1:1:	3:4:2:	C[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5]-3:C[5]-4:O-2:	O(C[5]C[5]2)(CH3)	C(OC[5])(H)3	C[5](C[5]C[6a]C[5])(C[5]O[5]CC)(OC)	O(C[5]C[5]2)(CH3)	C(OC[5])(H)3	C[5](C[5]C[6a]C[5])(C[5]O[5]CC)(OC){1|O<1>,2|C<3>}	119.6890	0.000	1	119.6890	0.000	1	117.3116	7.068	5	117.3116	7.068	5	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:1:1:1:	3:4:2:	C[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5]-3:C[5]-4:O-2:	O(C[5]C[5]2)(CH3)	C(OC[5])(H)3	C[5](C[5]C[6a]C[5])(C[5]O[5]CH)(OC)	O(C[5]C[5]2)(CH3)	C(OC[5])(H)3	C[5](C[5]C[6a]C[5])(C[5]O[5]CH)(OC){1|O<1>,2|C<3>}	120.1060	0.000	1	120.1060	0.000	1	117.3116	7.068	5	117.3116	7.068	5	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:1:1:1:	4:2:2:	C[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5]-4:N[5]-2:O-2:	O(C[5]C[5]N[5])(CH3)	C(OC[5])(H)3	C[5](C[5]C[6a]N[5]C)(N[5]S[5])(OC)	O(C[5]C[5]N[5])(CH3)	C(OC[5])(H)3	C[5](C[5]C[6a]N[5]C)(N[5]S[5])(OC){1|O<1>,3|C<3>}	116.9140	0.000	1	116.9140	0.000	1	116.9140	0.000	1	117.1937	0.108	3	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:1:1:1:	4:2:2:	C[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-2:	O(C[5]C[5]O[5])(CH3)	C(OC[5])(H)3	C[5](C[5]O[5]HH)(O[5]Nb[5])(OC)	O(C[5]C[5]O[5])(CH3)	C(OC[5])(H)3	C[5](C[5]O[5]HH)(O[5]Nb[5])(OC){3|Br<1>,1|C<4>,1|O<2>}	117.5550	0.000	1	117.3335	0.098	2	117.3335	0.098	2	117.1937	0.108	3	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:1:1:1:	4:2:2:	C[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-2:	O(C[5]C[5]O[5])(CH3)	C(OC[5])(H)3	C[5](C[5]O[5]HH)(O[5]Nb[5])(OC)	O(C[5]C[5]O[5])(CH3)	C(OC[5])(H)3	C[5](C[5]O[5]HH)(O[5]Nb[5])(OC){3|Cl<1>,1|C<4>,1|O<2>}	117.1120	0.000	1	117.3335	0.098	2	117.3335	0.098	2	117.1937	0.108	3	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:1:1:1:	4:3:2:	C[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[3x5,6,6]-4:C[5]-3:O-2:	O(C[5]C[3x5,6,6]C[5])(CH3)	C(OC[5])(H)3	C[5](C[3x5,6,6]C[3x5,6,6]C[5,3x6]C[5,5])(C[5]C[5]C)(OC)	O(C[5]C[3x5,6,6]C[5])(CH3)	C(OC[5])(H)3	C[5](C[3x5,6,6]C[3x5,6,6]C[5,3x6]C[5,5])(C[5]C[5]C)(OC){1|C<3>,1|H<1>,1|O<1>,2|O<2>,4|C<4>}	119.6500	0.000	1	119.6500	0.000	1	119.6500	0.000	1	117.3275	3.848	31	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:1:1:1:	4:3:2:	C[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:O-2:	O(C[5]C[5,5]C[5])(CH3)	C(OC[5])(H)3	C[5](C[5,5]C[5,5]C[5]Cl)(C[5]C[5]Cl)(OC)	O(C[5]C[5,5]C[5])(CH3)	C(OC[5])(H)3	C[5](C[5,5]C[5,5]C[5]Cl)(C[5]C[5]Cl)(OC){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	119.8700	0.000	1	119.8700	0.000	1	117.5677	3.143	13	117.3275	3.848	31	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:1:1:1:	4:3:2:	C[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:O-2:	O(C[5]C[5,5]C[5])(CH3)	C(OC[5])(H)3	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]C)(OC)	O(C[5]C[5,5]C[5])(CH3)	C(OC[5])(H)3	C[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]C)(OC){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	118.7529	0.119	7	118.7529	0.014	7	117.5677	3.143	13	117.3275	3.848	31	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:1:1:1:	4:3:2:	C[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:O-2:	O(C[5]C[5,5]C[5])(CH3)	C(OC[5])(H)3	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]H)(OC)	O(C[5]C[5,5]C[5])(CH3)	C(OC[5])(H)3	C[5](C[5,5]C[5]O[5]2)(C[5]C[5]H)(OC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	115.4320	0.102	4	115.4320	0.010	4	117.5677	3.143	13	117.3275	3.848	31	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:1:1:1:	4:3:2:	C[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:O-2:	O(C[5]C[5,5]C[5])(CH3)	C(OC[5])(H)3	C[5](C[5,5]N[5,5]O[5]C)(C[5]C[5]H)(OC)	O(C[5]C[5,5]C[5])(CH3)	C(OC[5])(H)3	C[5](C[5,5]N[5,5]O[5]C)(C[5]C[5]H)(OC){1|O<1>,2|C<4>}	115.5120	0.000	1	115.5120	0.000	1	117.5677	3.143	13	117.3275	3.848	31	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:1:1:1:	4:3:2:	C[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:O-2:	O(C[5]C[5,6]C[5])(CH3)	C(OC[5])(H)3	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(OC)	O(C[5]C[5,6]C[5])(CH3)	C(OC[5])(H)3	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(OC){1|C<3>,1|C<4>,2|O<1>,4|H<1>}	116.5480	0.000	1	116.5480	0.000	1	117.4140	2.884	5	117.3275	3.848	31	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:1:1:1:	4:3:2:	C[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:O-2:	O(C[5]C[5,6]C[5])(CH3)	C(OC[5])(H)3	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(OC)	O(C[5]C[5,6]C[5])(CH3)	C(OC[5])(H)3	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(OC){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	118.4110	0.808	2	118.5367	0.373	3	117.4140	2.884	5	117.3275	3.848	31	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:1:1:1:	4:3:2:	C[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:O-2:	O(C[5]C[5,6]C[5])(CH3)	C(OC[5])(H)3	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(OC)	O(C[5]C[5,6]C[5])(CH3)	C(OC[5])(H)3	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(OC){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	118.7880	0.000	1	118.5367	0.373	3	117.4140	2.884	5	117.3275	3.848	31	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:1:1:1:	4:3:2:	C[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:O-2:	O(C[5]C[5,6]C[5])(CH3)	C(OC[5])(H)3	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]H)(OC)	O(C[5]C[5,6]C[5])(CH3)	C(OC[5])(H)3	C[5](C[5,6]C[6]N[5]O[6])(C[5]C[5]H)(OC){1|O<1>,2|C<4>,3|H<1>}	114.9120	0.000	1	114.9120	0.000	1	117.4140	2.884	5	117.3275	3.848	31	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:1:1:1:	4:3:2:	C[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-2:	O(C[5]C[5]2)(CH3)	C(OC[5])(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(OC)	O(C[5]C[5]2)(CH3)	C(OC[5])(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(OC){1|C<3>,1|C<4>,2|H<1>}	119.0100	0.567	2	118.8710	0.280	4	116.8378	5.194	12	117.3275	3.848	31	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:1:1:1:	4:3:2:	C[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-2:	O(C[5]C[5]2)(CH3)	C(OC[5])(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(OC)	O(C[5]C[5]2)(CH3)	C(OC[5])(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(OC){1|C<3>,3|C<4>}	118.7320	0.665	2	118.8710	0.280	4	116.8378	5.194	12	117.3275	3.848	31	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:1:1:1:	4:3:2:	C[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-2:	O(C[5]C[5]2)(CH3)	C(OC[5])(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(OC)	O(C[5]C[5]2)(CH3)	C(OC[5])(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5]H)(OC){1|C<3>,1|C<4>,1|O<1>}	115.7210	0.000	1	115.7210	0.000	1	116.8378	5.194	12	117.3275	3.848	31	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:1:1:1:	4:3:2:	C[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-2:	O(C[5]C[5]2)(CH3)	C(OC[5])(H)3	C[5](C[5]N[5]CH)(C[5]C[5]C)(OC)	O(C[5]C[5]2)(CH3)	C(OC[5])(H)3	C[5](C[5]N[5]CH)(C[5]C[5]C)(OC){1|C<3>,1|O<1>}	117.9030	0.000	1	118.9035	2.002	2	116.8378	5.194	12	117.3275	3.848	31	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:1:1:1:	4:3:2:	C[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-2:	O(C[5]C[5]2)(CH3)	C(OC[5])(H)3	C[5](C[5]N[5]CH)(C[5]C[5]C)(OC)	O(C[5]C[5]2)(CH3)	C(OC[5])(H)3	C[5](C[5]N[5]CH)(C[5]C[5]C)(OC){1|C<4>,1|O<1>}	119.9040	0.000	1	118.9035	2.002	2	116.8378	5.194	12	117.3275	3.848	31	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:1:1:1:	4:3:2:	C[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-2:	O(C[5]C[5]2)(CH3)	C(OC[5])(H)3	C[5](C[5]N[5]CH)(C[5]C[5]H)(OC)	O(C[5]C[5]2)(CH3)	C(OC[5])(H)3	C[5](C[5]N[5]CH)(C[5]C[5]H)(OC){1|C<3>,1|O<1>}	115.0480	0.000	1	115.4560	0.333	2	116.8378	5.194	12	117.3275	3.848	31	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:1:1:1:	4:3:2:	C[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-2:	O(C[5]C[5]2)(CH3)	C(OC[5])(H)3	C[5](C[5]N[5]CH)(C[5]C[5]H)(OC)	O(C[5]C[5]2)(CH3)	C(OC[5])(H)3	C[5](C[5]N[5]CH)(C[5]C[5]H)(OC){1|C<4>,1|O<1>}	115.8640	0.000	1	115.4560	0.333	2	116.8378	5.194	12	117.3275	3.848	31	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:1:1:1:	4:3:2:	C[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-2:	O(C[5]C[5]2)(CH3)	C(OC[5])(H)3	C[5](C[5]N[5]CO)(C[5]C[5]H)(OC)	O(C[5]C[5]2)(CH3)	C(OC[5])(H)3	C[5](C[5]N[5]CO)(C[5]C[5]H)(OC){1|O<1>,1|O<2>}	114.5380	0.000	1	114.5380	0.000	1	116.8378	5.194	12	117.3275	3.848	31	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:1:1:1:	4:3:2:	C[5]-3:C-4:	O-2:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-2:	O(C[5]C[5]2)(CH3)	C(OC[5])(H)3	C[5](C[5]N[5]HO)(C[5]C[5]H)(OC)	O(C[5]C[5]2)(CH3)	C(OC[5])(H)3	C[5](C[5]N[5]HO)(C[5]C[5]H)(OC){1|C<4>,1|O<1>}	113.7960	0.161	2	113.7960	0.026	2	116.8378	5.194	12	117.3275	3.848	31	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:3:1:1:	3:2:2:	C[5]-3:C-4:	O-2:C-3:H-1:H-1:	C[5,6a]-3:N[5]-2:O-2:	O(C[5]C[5,6a]N[5])(CCHH)	C(OC[5])(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(OC)	O(C[5]C[5,6a]N[5])(CCHH)	C(OC[5])(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(OC){1|H<1>,2|C<3>,2|O<1>}	116.6230	1.088	2	116.6230	1.183	2	116.6230	1.183	2	116.6230	1.183	2	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:3:1:1:	3:3:2:	C[5]-3:C-4:	O-2:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:O-2:	O(C[5]C[5,6a]C[5])(CCHH)	C(OC[5])(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(OC)	O(C[5]C[5,6a]C[5])(CCHH)	C(OC[5])(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(OC){1|H<1>,1|O<1>,2|C<3>}	116.2330	0.000	1	115.7175	0.531	2	115.7175	0.531	2	115.6237	0.292	3	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:3:1:1:	3:3:2:	C[5]-3:C-4:	O-2:C-3:H-1:H-1:	C[5,6a]-3:C[5]-3:O-2:	O(C[5]C[5,6a]C[5])(CCHH)	C(OC[5])(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(OC)	O(C[5]C[5,6a]C[5])(CCHH)	C(OC[5])(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)(OC){1|H<1>,2|C<3>,2|O<1>}	115.2020	0.000	1	115.7175	0.531	2	115.7175	0.531	2	115.6237	0.292	3	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:3:1:1:	3:3:2:	C[5]-3:C-4:	O-2:C-3:H-1:H-1:	C[5]-3:C[5]-3:O-2:	O(C[5]C[5]2)(CCHH)	C(OC[5])(CHH)(H)2	C[5](C[5]C[5]H)(C[5]N[5]C)(OC)	O(C[5]C[5]2)(CCHH)	C(OC[5])(CHH)(H)2	C[5](C[5]C[5]H)(C[5]N[5]C)(OC){2|C<3>}	115.4360	0.000	1	115.4360	0.000	1	115.4360	0.000	1	115.6237	0.292	3	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:3:1:1:	4:3:2:	C[5]-3:C-4:	O-2:C-3:H-1:H-1:	C[5]-4:C[5]-3:O-2:	O(C[5]C[5]2)(CCHH)	C(OC[5])(CCH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(OC)	O(C[5]C[5]2)(CCHH)	C(OC[5])(CCH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(OC){1|O<1>,2|H<1>}	118.0050	0.397	2	118.0050	0.158	2	118.0050	0.158	2	118.0050	0.158	2	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:3:3:1:	3:2:2:	C[5]-3:C-4:	O-2:C-3:C-3:H-1:	C[5,6a]-3:N[5]-2:O-2:	O(C[5]C[5,6a]N[5])(CCCH)	C(OC[5])(CCO)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(OC)	O(C[5]C[5,6a]N[5])(CCCH)	C(OC[5])(CCO)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(OC){1|H<1>,2|C<3>,2|O<1>}	115.3550	0.000	1	115.3550	0.000	1	115.3550	0.000	1	115.3550	0.000	1	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:4:1:1:	2:2:2:	C[5]-3:C-4:	O-2:C-4:H-1:H-1:	N[5]-2:O[5]-2:O-2:	O(C[5]N[5]O[5])(CCHH)	C(OC[5])(CH3)(H)2	C[5](N[5]N[5])(O[5]P[5])(OC)	O(C[5]N[5]O[5])(CCHH)	C(OC[5])(CH3)(H)2	C[5](N[5]N[5])(O[5]P[5])(OC){1|C<3>,1|N<3>,2|O<2>}	114.8320	0.000	1	114.8320	0.000	1	114.8320	0.000	1	115.1340	0.182	2	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:4:1:1:	2:2:2:	C[5]-3:C-4:	O-2:C-4:H-1:H-1:	O[5]-2:N[5]-2:O-2:	O(C[5]N[5]O[5])(CCHH)	C(OC[5])(CH3)(H)2	C[5](O[5]C[5,5])(N[5]N[5])(OC)	O(C[5]N[5]O[5])(CCHH)	C(OC[5])(CH3)(H)2	C[5](O[5]C[5,5])(N[5]N[5])(OC){3|C<3>}	115.4360	0.000	1	115.4360	0.000	1	115.4360	0.000	1	115.1340	0.182	2	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:4:1:1:	2:3:2:	C[5]-3:C-4:	O-2:C-4:H-1:H-1:	N[5]-2:C[5]-3:O-2:	O(C[5]C[5]N[5])(CCHH)	C(OC[5])(CH3)(H)2	C[5](N[5]C[5,5])(C[5]C[5]H)(OC)	O(C[5]C[5]N[5])(CCHH)	C(OC[5])(CH3)(H)2	C[5](N[5]C[5,5])(C[5]C[5]H)(OC){3|C<3>}	116.0680	0.000	1	116.0680	0.000	1	116.0680	0.000	1	116.5265	1.787	4	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:4:1:1:	2:3:2:	C[5]-3:C-4:	O-2:C-4:H-1:H-1:	O[5]-2:C[5]-3:O-2:	O(C[5]C[5]O[5])(CCHH)	C(OC[5])(CH3)(H)2	C[5](O[5]B[5,6,6])(C[5]C[5]C)(OC)	O(C[5]C[5]O[5])(CCHH)	C(OC[5])(CH3)(H)2	C[5](O[5]B[5,6,6])(C[5]C[5]C)(OC){1|C<3>,2|C<4>}	118.2700	0.000	1	118.2700	0.000	1	116.6793	2.541	3	116.5265	1.787	4	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:4:1:1:	2:3:2:	C[5]-3:C-4:	O-2:C-4:H-1:H-1:	O[5]-2:C[5]-3:O-2:	O(C[5]C[5]O[5])(CCHH)	C(OC[5])(CH3)(H)2	C[5](O[5]C[5,5])(C[5]C[5]H)(OC)	O(C[5]C[5]O[5])(CCHH)	C(OC[5])(CH3)(H)2	C[5](O[5]C[5,5])(C[5]C[5]H)(OC){1|O<1>,2|C<3>}	115.8840	1.134	2	115.8840	1.286	2	116.6793	2.541	3	116.5265	1.787	4	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:4:1:1:	3:2:2:	C[5]-3:C-4:	O-2:C-4:H-1:H-1:	C[5,6a]-3:N[5]-2:O-2:	O(C[5]C[5,6a]N[5])(CCHH)	C(OC[5])(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5])(OC)	O(C[5]C[5,6a]N[5])(CCHH)	C(OC[5])(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5])(OC){1|C<4>,1|H<1>,3|C<3>}	117.9020	0.000	1	117.9020	0.000	1	117.0850	1.335	2	116.3502	5.441	18	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:4:1:1:	3:2:2:	C[5]-3:C-4:	O-2:C-4:H-1:H-1:	C[5,6a]-3:N[5]-2:O-2:	O(C[5]C[5,6a]N[5])(CCHH)	C(OC[5])(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(OC)	O(C[5]C[5,6a]N[5])(CCHH)	C(OC[5])(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(OC){1|H<1>,2|C<3>,2|O<1>}	116.2680	0.000	1	116.2680	0.000	1	117.0850	1.335	2	116.3502	5.441	18	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:4:1:1:	3:2:2:	C[5]-3:C-4:	O-2:C-4:H-1:H-1:	C[5]-3:N[5]-2:O-2:	O(C[5]C[5]N[5])(CCHH)	C(OC[5])(CCHH)(H)2	C[5](C[5]C[5]H)(N[5]C[5])(OC)	O(C[5]C[5]N[5])(CCHH)	C(OC[5])(CCHH)(H)2	C[5](C[5]C[5]H)(N[5]C[5])(OC){1|C<3>,1|H<1>}	115.9260	0.000	1	115.9260	0.000	1	116.4704	1.968	5	116.3502	5.441	18	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:4:1:1:	3:2:2:	C[5]-3:C-4:	O-2:C-4:H-1:H-1:	C[5]-3:N[5]-2:O-2:	O(C[5]C[5]N[5])(CCHH)	C(OC[5])(CCHH)(H)2	C[5](C[5]N[5]Cl)(N[5]O[5])(OC)	O(C[5]C[5]N[5])(CCHH)	C(OC[5])(CCHH)(H)2	C[5](C[5]N[5]Cl)(N[5]O[5])(OC){1|O<1>}	114.5250	0.000	1	114.5250	0.000	1	116.4704	1.968	5	116.3502	5.441	18	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:4:1:1:	3:2:2:	C[5]-3:C-4:	O-2:C-4:H-1:H-1:	C[5]-3:N[5]-2:O-2:	O(C[5]C[5]N[5])(CCHH)	C(OC[5])(CH3)(H)2	C[5](C[5]C[5]C)(N[5]C[5])(OC)	O(C[5]C[5]N[5])(CCHH)	C(OC[5])(CH3)(H)2	C[5](C[5]C[5]C)(N[5]C[5])(OC){1|C<3>,1|H<1>}	118.2380	0.000	1	117.7595	0.458	2	116.4704	1.968	5	116.3502	5.441	18	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:4:1:1:	3:2:2:	C[5]-3:C-4:	O-2:C-4:H-1:H-1:	C[5]-3:N[5]-2:O-2:	O(C[5]C[5]N[5])(CCHH)	C(OC[5])(CH3)(H)2	C[5](C[5]C[5]C)(N[5]C[5])(OC)	O(C[5]C[5]N[5])(CCHH)	C(OC[5])(CH3)(H)2	C[5](C[5]C[5]C)(N[5]C[5])(OC){1|Cu<4>,1|C<3>}	117.2810	0.000	1	117.7595	0.458	2	116.4704	1.968	5	116.3502	5.441	18	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:4:1:1:	3:2:2:	C[5]-3:C-4:	O-2:C-4:H-1:H-1:	C[5]-3:N[5]-2:O-2:	O(C[5]C[5]N[5])(CCHH)	C(OC[5])(CH3)(H)2	C[5](C[5]C[5]H)(N[5]C[5])(OC)	O(C[5]C[5]N[5])(CCHH)	C(OC[5])(CH3)(H)2	C[5](C[5]C[5]H)(N[5]C[5])(OC){3|C<3>}	116.3820	0.000	1	116.3820	0.000	1	116.4704	1.968	5	116.3502	5.441	18	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:4:1:1:	3:2:2:	C[5]-3:C-4:	O-2:C-4:H-1:H-1:	C[5]-3:O[5]-2:O-2:	O(C[5]C[5]O[5])(CCHH)	C(OC[5])(CH3)(H)2	C[5](C[5]C[5]2)(O[5]C[5])(OC)	O(C[5]C[5]O[5])(CCHH)	C(OC[5])(CH3)(H)2	C[5](C[5]C[5]2)(O[5]C[5])(OC){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	120.9170	0.000	1	120.9170	0.000	1	116.1619	8.175	11	116.3502	5.441	18	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:4:1:1:	3:2:2:	C[5]-3:C-4:	O-2:C-4:H-1:H-1:	C[5]-3:O[5]-2:O-2:	O(C[5]C[5]O[5])(CCHH)	C(OC[5])(CH3)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(OC)	O(C[5]C[5]O[5])(CCHH)	C(OC[5])(CH3)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(OC){1|O<1>,2|H<1>}	119.2780	0.571	2	119.2780	0.326	2	116.1619	8.175	11	116.3502	5.441	18	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:4:1:1:	3:2:2:	C[5]-3:C-4:	O-2:C-4:H-1:H-1:	C[5]-3:O[5]-2:O-2:	O(C[5]C[5]O[5])(CCHH)	C(OC[5])(CH3)(H)2	C[5](C[5]C[6a]C[5])(O[5]C[5])(OC)	O(C[5]C[5]O[5])(CCHH)	C(OC[5])(CH3)(H)2	C[5](C[5]C[6a]C[5])(O[5]C[5])(OC){1|O<1>,2|C<3>,2|H<1>}	118.8140	0.000	1	118.8140	0.000	1	116.1619	8.175	11	116.3502	5.441	18	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:4:1:1:	3:2:2:	C[5]-3:C-4:	O-2:C-4:H-1:H-1:	C[5]-3:O[5]-2:O-2:	O(C[5]C[5]O[5])(CCHH)	C(OC[5])(CH3)(H)2	C[5](C[5]N[5]H)(O[5]C[5])(OC)	O(C[5]C[5]O[5])(CCHH)	C(OC[5])(CH3)(H)2	C[5](C[5]N[5]H)(O[5]C[5])(OC){1|Ag<3>,1|C<4>}	114.2240	0.000	1	114.2134	0.963	7	116.1619	8.175	11	116.3502	5.441	18	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:4:1:1:	3:2:2:	C[5]-3:C-4:	O-2:C-4:H-1:H-1:	C[5]-3:O[5]-2:O-2:	O(C[5]C[5]O[5])(CCHH)	C(OC[5])(CH3)(H)2	C[5](C[5]N[5]H)(O[5]C[5])(OC)	O(C[5]C[5]O[5])(CCHH)	C(OC[5])(CH3)(H)2	C[5](C[5]N[5]H)(O[5]C[5])(OC){1|Pd<4>,1|C<3>}	114.3748	1.116	5	114.2134	0.963	7	116.1619	8.175	11	116.3502	5.441	18	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:4:1:1:	3:2:2:	C[5]-3:C-4:	O-2:C-4:H-1:H-1:	C[5]-3:O[5]-2:O-2:	O(C[5]C[5]O[5])(CCHH)	C(OC[5])(CH3)(H)2	C[5](C[5]N[5]H)(O[5]C[5])(OC)	O(C[5]C[5]O[5])(CCHH)	C(OC[5])(CH3)(H)2	C[5](C[5]N[5]H)(O[5]C[5])(OC){1|Pt<4>,1|C<3>}	113.3960	0.000	1	114.2134	0.963	7	116.1619	8.175	11	116.3502	5.441	18	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:4:1:1:	3:3:2:	C[5]-3:C-4:	O-2:C-4:H-1:H-1:	C[5,5]-3:C[5]-3:O-2:	O(C[5]C[5,5]C[5])(CCHH)	C(OC[5])(CH3)(H)2	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[5]O)(OC)	O(C[5]C[5,5]C[5])(CCHH)	C(OC[5])(CH3)(H)2	C[5](C[5,5]C[5,6a]C[5,5])(C[5]C[5]O)(OC){1|H<1>,1|O<2>,4|C<3>}	115.5850	0.000	2	115.5850	0.000	2	115.5850	0.000	2	115.9639	16.533	7	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:4:1:1:	3:3:2:	C[5]-3:C-4:	O-2:C-4:H-1:H-1:	C[5]-3:C[5]-3:O-2:	O(C[5]C[5]2)(CCHH)	C(OC[5])(CH3)(H)2	C[5](C[5]C[5]C)(C[5]C[5]H)(OC)	O(C[5]C[5]2)(CCHH)	C(OC[5])(CH3)(H)2	C[5](C[5]C[5]C)(C[5]C[5]H)(OC){1|C<3>,1|H<1>}	116.9240	0.000	1	118.8275	7.247	2	119.5237	5.077	3	115.9639	16.533	7	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:4:1:1:	3:3:2:	C[5]-3:C-4:	O-2:C-4:H-1:H-1:	C[5]-3:C[5]-3:O-2:	O(C[5]C[5]2)(CCHH)	C(OC[5])(CH3)(H)2	C[5](C[5]C[5]C)(C[5]C[5]H)(OC)	O(C[5]C[5]2)(CCHH)	C(OC[5])(CH3)(H)2	C[5](C[5]C[5]C)(C[5]C[5]H)(OC){1|H<1>,2|C<3>}	120.7310	0.000	1	118.8275	7.247	2	119.5237	5.077	3	115.9639	16.533	7	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:4:1:1:	3:3:2:	C[5]-3:C-4:	O-2:C-4:H-1:H-1:	C[5]-3:C[5]-3:O-2:	O(C[5]C[5]2)(CCHH)	C(OC[5])(CH3)(H)2	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(OC)	O(C[5]C[5]2)(CCHH)	C(OC[5])(CH3)(H)2	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(OC){1|C<4>,1|O<1>,2|C<3>}	120.9160	0.000	1	120.9160	0.000	1	119.5237	5.077	3	115.9639	16.533	7	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:4:1:1:	3:3:2:	C[5]-3:C-4:	O-2:C-4:H-1:H-1:	C[5]-3:N[5]-3:O-2:	O(C[5]C[5]N[5])(CCHH)	C(OC[5])(CH3)(H)2	C[5](C[5]N[5]Ru)(N[5]N[5]C)(OC)	O(C[5]C[5]N[5])(CCHH)	C(OC[5])(CH3)(H)2	C[5](C[5]N[5]Ru)(N[5]N[5]C)(OC){1|C<3>}	111.0030	1.232	2	111.0030	1.517	2	111.0030	1.517	2	115.9639	16.533	7	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:4:1:1:	4:2:2:	C[5]-3:C-4:	O-2:C-4:H-1:H-1:	C[5,5]-4:N[5]-2:O-2:	O(C[5]C[5,5]N[5])(CCHH)	C(OC[5])(CH3)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]N[5])(OC)	O(C[5]C[5,5]N[5])(CCHH)	C(OC[5])(CH3)(H)2	C[5](C[5,5]C[5,6a]C[5]2)(N[5]N[5])(OC){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	115.6965	1.298	2	115.6965	1.684	2	115.6965	1.684	2	115.9827	1.087	3	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:4:1:1:	4:2:2:	C[5]-3:C-4:	O-2:C-4:H-1:H-1:	C[5]-4:N[5]-2:O-2:	O(C[5]C[5]N[5])(CCHH)	C(OC[5])(CH3)(H)2	C[5](C[5]C[5]CC)(N[5]N[5])(OC)	O(C[5]C[5]N[5])(CCHH)	C(OC[5])(CH3)(H)2	C[5](C[5]C[5]CC)(N[5]N[5])(OC){2|C<3>}	116.5550	0.000	1	116.5550	0.000	1	116.5550	0.000	1	115.9827	1.087	3	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:4:1:1:	4:3:2:	C[5]-3:C-4:	O-2:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:O-2:	O(C[5]C[5,6]C[5])(CCHH)	C(OC[5])(CCHH)(H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5])(OC)	O(C[5]C[5,6]C[5])(CCHH)	C(OC[5])(CCHH)(H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5])(OC){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	118.2480	0.000	1	118.2480	0.000	1	118.2480	0.000	1	117.3312	2.406	4	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:4:1:1:	4:3:2:	C[5]-3:C-4:	O-2:C-4:H-1:H-1:	C[5]-4:C[5]-3:O-2:	O(C[5]C[5]2)(CCHH)	C(OC[5])(CCHH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(OC)	O(C[5]C[5]2)(CCHH)	C(OC[5])(CCHH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(OC){1|O<1>,2|H<1>}	118.9820	0.000	1	118.9820	0.000	1	117.0257	3.049	3	117.3312	2.406	4	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:4:1:1:	4:3:2:	C[5]-3:C-4:	O-2:C-4:H-1:H-1:	C[5]-4:C[5]-3:O-2:	O(C[5]C[5]2)(CCHH)	C(OC[5])(CH3)(H)2	C[5](C[5]C[6a]2N[5])(C[5]C[5]H)(OC)	O(C[5]C[5]2)(CCHH)	C(OC[5])(CH3)(H)2	C[5](C[5]C[6a]2N[5])(C[5]C[5]H)(OC){5|C<3>}	115.6250	0.000	1	115.6250	0.000	1	117.0257	3.049	3	117.3312	2.406	4	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:4:1:1:	4:3:2:	C[5]-3:C-4:	O-2:C-4:H-1:H-1:	C[5]-4:C[5]-3:O-2:	O(C[5]C[5]2)(CCHH)	C(OC[5])(CH3)(H)2	C[5](C[5]O[5]CH)(C[5]C[5]O)(OC)	O(C[5]C[5]2)(CCHH)	C(OC[5])(CH3)(H)2	C[5](C[5]O[5]CH)(C[5]C[5]O)(OC){1|O<1>}	116.4700	0.000	1	116.4700	0.000	1	117.0257	3.049	3	117.3312	2.406	4	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:4:4:1:	2:2:2:	C[5]-3:C-4:	O-2:C-4:C-4:H-1:	N[5]-2:O[5]-2:O-2:	O(C[5]N[5]O[5])(CCCH)	C(OC[5])(CH3)2(H)	C[5](N[5]N[5])(O[5]P[5])(OC)	O(C[5]N[5]O[5])(CCCH)	C(OC[5])(CH3)2(H)	C[5](N[5]N[5])(O[5]P[5])(OC){1|C<3>,1|N<2>,2|O<2>}	115.9965	0.002	2	116.6740	1.030	9	116.6740	1.030	9	116.6766	0.916	10	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:4:4:1:	2:2:2:	C[5]-3:C-4:	O-2:C-4:C-4:H-1:	N[5]-2:O[5]-2:O-2:	O(C[5]N[5]O[5])(CCCH)	C(OC[5])(CH3)2(H)	C[5](N[5]N[5])(O[5]P[5])(OC)	O(C[5]N[5]O[5])(CCCH)	C(OC[5])(CH3)2(H)	C[5](N[5]N[5])(O[5]P[5])(OC){1|C<3>,1|N<3>,2|O<2>}	116.3773	0.456	4	116.6740	1.030	9	116.6740	1.030	9	116.6766	0.916	10	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:4:4:1:	2:2:2:	C[5]-3:C-4:	O-2:C-4:C-4:H-1:	N[5]-2:O[5]-2:O-2:	O(C[5]N[5]O[5])(CCCH)	C(OC[5])(CH3)2(H)	C[5](N[5]N[5])(O[5]P[5])(OC)	O(C[5]N[5]O[5])(CCCH)	C(OC[5])(CH3)2(H)	C[5](N[5]N[5])(O[5]P[5])(OC){1|Cl<1>,1|C<3>,2|O<2>}	116.3210	0.000	1	116.6740	1.030	9	116.6740	1.030	9	116.6766	0.916	10	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:4:4:1:	2:2:2:	C[5]-3:C-4:	O-2:C-4:C-4:H-1:	N[5]-2:O[5]-2:O-2:	O(C[5]N[5]O[5])(CCCH)	C(OC[5])(CH3)2(H)	C[5](N[5]N[5])(O[5]P[5])(OC)	O(C[5]N[5]O[5])(CCCH)	C(OC[5])(CH3)2(H)	C[5](N[5]N[5])(O[5]P[5])(OC){2|C<3>,2|O<2>}	118.1215	1.425	2	116.6740	1.030	9	116.6740	1.030	9	116.6766	0.916	10	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:4:4:1:	2:2:2:	C[5]-3:C-4:	O-2:C-4:C-4:H-1:	O[5]-2:N[5]-2:O-2:	O(C[5]N[5]O[5])(CCCH)	C(OC[5])(CH3)2(H)	C[5](O[5]Si[5,6])(N[5]N[5])(OC)	O(C[5]N[5]O[5])(CCCH)	C(OC[5])(CH3)2(H)	C[5](O[5]Si[5,6])(N[5]N[5])(OC){1|C<3>,2|N<3>}	116.7000	0.000	1	116.7000	0.000	1	116.7000	0.000	1	116.6766	0.916	10	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:4:4:1:	3:2:2:	C[5]-3:C-4:	O-2:C-4:C-4:H-1:	C[5,6a]-3:N[5]-2:O-2:	O(C[5]C[5,6a]N[5])(CCCH)	C(OC[5])(CH3)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(OC)	O(C[5]C[5,6a]N[5])(CCCH)	C(OC[5])(CH3)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(OC){1|H<1>,2|C<3>,2|O<1>}	117.7040	0.000	1	117.7040	0.000	1	117.7040	0.000	1	117.7040	0.000	1	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:4:4:1:	3:3:2:	C[5]-3:C-4:	O-2:C-4:C-4:H-1:	C[5]-3:C[5]-3:O-2:	O(C[5]C[5]2)(CCCH)	C(OC[5])(CH3)2(H)	C[5](C[5]C[5,5]O)(C[5]C[5]H)(OC)	O(C[5]C[5]2)(CCCH)	C(OC[5])(CH3)2(H)	C[5](C[5]C[5,5]O)(C[5]C[5]H)(OC){1|O<1>,2|C<4>}	119.7230	0.000	1	119.7230	0.000	1	119.7230	0.000	1	119.7230	0.000	1	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:4:4:1:	4:3:2:	C[5]-3:C-4:	O-2:C-4:C-4:H-1:	C[5]-4:C[5]-3:O-2:	O(C[5]C[5]2)(CCCH)	C(OC[5])(CH3)2(H)	C[5](C[5]C[5]CO)(C[5]C[5]O)(OC)	O(C[5]C[5]2)(CCCH)	C(OC[5])(CH3)2(H)	C[5](C[5]C[5]CO)(C[5]C[5]O)(OC){1|C<4>,1|H<1>,1|O<1>}	119.3350	0.000	1	119.3350	0.000	1	119.3350	0.000	1	119.3350	0.000	1	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:4:4:4:	2:4:2:	C[5]-3:C-4:	O-2:C-4:C-4:C-4:	O[5]-2:C[5]-4:O-2:	O(C[5]C[5]O[5])(CC3)	C(OC[5])(CH3)3	C[5](O[5]In[5,5,6,6])(C[5]O[5]CH)(OC)	O(C[5]C[5]O[5])(CC3)	C(OC[5])(CH3)3	C[5](O[5]In[5,5,6,6])(C[5]O[5]CH)(OC){2|N<3>,2|O<2>}	122.0500	0.000	1	122.0500	0.000	1	122.0500	0.000	1	122.0500	0.000	1	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	2:4:4:4:	3:3:2:	C[5]-3:C-4:	O-2:C-4:C-4:C-4:	C[5]-3:C[5]-3:O-2:	O(C[5]C[5]2)(CC3)	C(OC[5])(CH3)3	C[5](C[5]C[5]H)(C[5]C[5]O)(OC)	O(C[5]C[5]2)(CC3)	C(OC[5])(CH3)3	C[5](C[5]C[5]H)(C[5]C[5]O)(OC){1|H<1>,1|O<1>}	121.3865	0.573	2	121.3865	0.329	2	121.3865	0.329	2	121.3865	0.329	2	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	3:2:1:1:	2:2:2:	C[5]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	N[5]-2:O[5]-2:O-2:	O(C[5]N[5]O[5])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5])(H)2	C[5](N[5]C[5,6])(O[5]C[5])(OC)	O(C[5]N[5]O[5])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5])(H)2	C[5](N[5]C[5,6])(O[5]C[5])(OC){1|O<1>,2|C<4>}	113.1110	0.000	1	113.1110	0.000	1	113.5875	0.454	2	114.3850	2.135	3	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	3:2:1:1:	2:2:2:	C[5]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	N[5]-2:O[5]-2:O-2:	O(C[5]N[5]O[5])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5])(H)2	C[5](N[5]C[5])(O[5]C[5])(OC)	O(C[5]N[5]O[5])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5])(H)2	C[5](N[5]C[5])(O[5]C[5])(OC){1|C<3>,1|C<4>,2|H<1>}	114.0640	0.000	1	114.0640	0.000	1	113.5875	0.454	2	114.3850	2.135	3	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	3:2:1:1:	2:2:2:	C[5]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	N[5]-2:S[5]-2:O-2:	O(C[5]N[5]S[5])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5])(H)2	C[5](N[5]C[5])(S[5]C[5])(OC)	O(C[5]N[5]S[5])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5])(H)2	C[5](N[5]C[5])(S[5]C[5])(OC){1|O<1>,2|C<4>}	115.9800	0.000	1	115.9800	0.000	1	115.9800	0.000	1	114.3850	2.135	3	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	3:2:1:1:	4:3:2:	C[5]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[5,6]-4:C[5]-3:O-2:	O(C[5]C[5,6]C[5])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5])(H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5])(OC)	O(C[5]C[5,6]C[5])(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5])(H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5])(OC){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	119.8090	0.761	2	119.8090	0.579	2	119.8090	0.579	2	117.7500	13.008	3	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	3:2:1:1:	4:3:2:	C[5]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[5]-4:C[5]-3:O-2:	O(C[5]C[5]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5])(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]H)(OC)	O(C[5]C[5]2)(CC[6a]HH)	C(C[6a]C[6a]2)(OC[5])(H)2	C[5](C[5]C[5,6]HH)(C[5]N[5,6]H)(OC){1|C<3>,1|C<4>,1|H<1>}	113.6320	0.000	1	113.6320	0.000	1	113.6320	0.000	1	117.7500	13.008	3	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	3:4:2:1:	3:2:2:	C[5]-3:C-4:	C[6a]-3:C-4:O-2:H-1:	C[5,6a]-3:N[5]-2:O-2:	O(C[5]C[5,6a]N[5])(CC[6a]CH)	C(C[6a]C[6a]2)(CBrHH)(OC[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(OC)	O(C[5]C[5,6a]N[5])(CC[6a]CH)	C(C[6a]C[6a]2)(CBrHH)(OC[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(OC){1|H<1>,2|C<3>,2|O<1>}	116.4880	0.000	1	116.4880	0.000	1	116.4880	0.000	1	116.4880	0.000	1	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	4:2:1:1:	2:2:2:	C[5]-3:C-4:	C[5]-4:O-2:H-1:H-1:	N[5]-2:O[5]-2:O-2:	O(C[5]N[5]O[5])(CC[5]HH)	C(C[5]C[5,6a]2H)(OC[5])(H)2	C[5](N[5]C[5,6])(O[5]C[5])(OC)	O(C[5]N[5]O[5])(CC[5]HH)	C(C[5]C[5,6a]2H)(OC[5])(H)2	C[5](N[5]C[5,6])(O[5]C[5])(OC){1|O<1>,2|C<4>}	114.5530	0.000	1	114.5530	0.000	1	114.5530	0.000	1	114.5530	0.000	1	116.8648	5.011	146	116.8593	4.946	148
893	490	818	0:SP2_SP2_SP3	O	C	C[5]	3:4:	4:2:1:1:	3:2:2:	C[5]-3:C-4:	C-4:O-2:H-1:H-1:	C[5,6a]-3:N[5]-2:O-2:	O(C[5]C[5,6a]N[5])(CCHH)	C(CN[5]CH)(OC[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(OC)	O(C[5]C[5,6a]N[5])(CCHH)	C(CN[5]CH)(OC[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(OC){1|H<1>,2|C<3>,2|O<1>}	118.4140	0.000	1	118.4140	0.000	1	118.4140	0.000	1	118.4140	0.000	1	116.8648	5.011	146	116.8593	4.946	148
893	490	846	0:SP2_SP2_SP3	O	C	C[4]	3:4:	2:1:1:1:	2:2:2:	C[4]-3:C-4:	O-2:H-1:H-1:H-1:	S[4]-2:S[4]-2:O-2:	O(C[4]S[4]2)(CH3)	C(OC[4])(H)3	C[4](S[4]Ga[3x4])2(OC)	O(C[4]S[4]2)(CH3)	C(OC[4])(H)3	C[4](S[4]Ga[3x4])2(OC){4|S<2>}	118.7450	0.611	3	118.7450	0.374	3	118.7450	0.374	3	118.7450	0.374	3	119.3772	1.675	14	119.3772	1.675	14
893	490	846	0:SP2_SP2_SP3	O	C	C[4]	3:4:	2:1:1:1:	3:3:2:	C[4]-3:C-4:	O-2:H-1:H-1:H-1:	C[4]-3:C[4]-3:O-2:	O(C[4]C[4]2)(CH3)	C(OC[4])(H)3	C[4](C[4]C[4]C)2(OC)	O(C[4]C[4]2)(CH3)	C(OC[4])(H)3	C[4](C[4]C[4]C)2(OC){1|O<1>}	117.1400	0.000	1	117.1400	0.000	1	117.1400	0.000	1	117.1400	0.000	1	119.3772	1.675	14	119.3772	1.675	14
893	490	846	0:SP2_SP2_SP3	O	C	C[4]	3:4:	2:4:1:1:	2:2:2:	C[4]-3:C-4:	O-2:C-4:H-1:H-1:	S[4]-2:S[4]-2:O-2:	O(C[4]S[4]2)(CCHH)	C(OC[4])(CCCH)(H)2	C[4](S[4]Ga[3x4])2(OC)	O(C[4]S[4]2)(CCHH)	C(OC[4])(CCCH)(H)2	C[4](S[4]Ga[3x4])2(OC){4|S<2>}	119.6910	0.679	3	119.6910	0.461	3	119.2689	1.066	7	119.2689	1.066	7	119.3772	1.675	14	119.3772	1.675	14
893	490	846	0:SP2_SP2_SP3	O	C	C[4]	3:4:	2:4:1:1:	2:2:2:	C[4]-3:C-4:	O-2:C-4:H-1:H-1:	S[4]-2:S[4]-2:O-2:	O(C[4]S[4]2)(CCHH)	C(OC[4])(CCHH)(H)2	C[4](S[4]Ga[3x4])2(OC)	O(C[4]S[4]2)(CCHH)	C(OC[4])(CCHH)(H)2	C[4](S[4]Ga[3x4])2(OC){4|S<2>}	119.2367	1.336	3	119.2367	1.785	3	119.2689	1.066	7	119.2689	1.066	7	119.3772	1.675	14	119.3772	1.675	14
893	490	846	0:SP2_SP2_SP3	O	C	C[4]	3:4:	2:4:1:1:	2:2:2:	C[4]-3:C-4:	O-2:C-4:H-1:H-1:	S[4]-2:S[4]-2:O-2:	O(C[4]S[4]2)(CCHH)	C(OC[4])(CCHH)(H)2	C[4](S[4]Ga[4])2(OC)	O(C[4]S[4]2)(CCHH)	C(OC[4])(CCHH)(H)2	C[4](S[4]Ga[4])2(OC){2|S<2>}	118.0990	0.000	1	118.0990	0.000	1	119.2689	1.066	7	119.2689	1.066	7	119.3772	1.675	14	119.3772	1.675	14
893	490	846	0:SP2_SP2_SP3	O	C	C[4]	3:4:	2:4:4:1:	2:2:2:	C[4]-3:C-4:	O-2:C-4:C-4:H-1:	S[4]-2:S[4]-2:O-2:	O(C[4]S[4]2)(CCCH)	C(OC[4])(CH3)2(H)	C[4](S[4]Ga[3x4])2(OC)	O(C[4]S[4]2)(CCCH)	C(OC[4])(CH3)2(H)	C[4](S[4]Ga[3x4])2(OC){4|S<2>}	121.0080	0.428	3	121.0080	0.183	3	121.0080	0.183	3	121.0080	0.183	3	119.3772	1.675	14	119.3772	1.675	14
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:1:1:1:	2:2:2:1:	P[6]-4:C-4:	O-2:H-1:H-1:H-1:	N[6]-2:N[6]-2:O-2:Cl-1:	O(P[6]N[6]2Cl)(CH3)	C(OP[6])(H)3	P[6](N[6]P[5,6])(N[6]P[6])(OC)(Cl)	O(P[6]N[6]2Cl)(CH3)	C(OP[6])(H)3	P[6](N[6]P[5,6])(N[6]P[6])(OC)(Cl){1|Cl<1>,1|N<2>,1|N<3>,2|O<2>}	120.0095	0.185	2	121.2475	2.256	4	121.2734	1.949	11	121.2028	1.831	12	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:1:1:1:	2:2:2:1:	P[6]-4:C-4:	O-2:H-1:H-1:H-1:	N[6]-2:N[6]-2:O-2:Cl-1:	O(P[6]N[6]2Cl)(CH3)	C(OP[6])(H)3	P[6](N[6]P[5,6])(N[6]P[6])(OC)(Cl)	O(P[6]N[6]2Cl)(CH3)	C(OP[6])(H)3	P[6](N[6]P[5,6])(N[6]P[6])(OC)(Cl){2|Cl<1>,1|N<2>,1|N<3>,1|O<2>}	121.9360	0.000	1	121.2475	2.256	4	121.2734	1.949	11	121.2028	1.831	12	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:1:1:1:	2:2:2:1:	P[6]-4:C-4:	O-2:H-1:H-1:H-1:	N[6]-2:N[6]-2:O-2:Cl-1:	O(P[6]N[6]2Cl)(CH3)	C(OP[6])(H)3	P[6](N[6]P[5,6])(N[6]P[6])(OC)(Cl)	O(P[6]N[6]2Cl)(CH3)	C(OP[6])(H)3	P[6](N[6]P[5,6])(N[6]P[6])(OC)(Cl){2|Cl<1>,1|N<2>,2|O<2>}	123.0350	0.000	1	121.2475	2.256	4	121.2734	1.949	11	121.2028	1.831	12	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:1:1:1:	2:2:2:1:	P[6]-4:C-4:	O-2:H-1:H-1:H-1:	N[6]-2:N[6]-2:O-2:Cl-1:	O(P[6]N[6]2Cl)(CH3)	C(OP[6])(H)3	P[6](N[6]P[6,6])(N[6]P[6])(OC)(Cl)	O(P[6]N[6]2Cl)(CH3)	C(OP[6])(H)3	P[6](N[6]P[6,6])(N[6]P[6])(OC)(Cl){2|Cl<1>,1|N<2>,1|N<3>,1|O<2>}	121.3160	0.000	1	122.4950	2.780	2	121.2734	1.949	11	121.2028	1.831	12	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:1:1:1:	2:2:2:1:	P[6]-4:C-4:	O-2:H-1:H-1:H-1:	N[6]-2:N[6]-2:O-2:Cl-1:	O(P[6]N[6]2Cl)(CH3)	C(OP[6])(H)3	P[6](N[6]P[6,6])(N[6]P[6])(OC)(Cl)	O(P[6]N[6]2Cl)(CH3)	C(OP[6])(H)3	P[6](N[6]P[6,6])(N[6]P[6])(OC)(Cl){2|Cl<1>,1|N<2>,2|N<3>}	123.6740	0.000	1	122.4950	2.780	2	121.2734	1.949	11	121.2028	1.831	12	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:1:1:1:	2:2:2:1:	P[6]-4:C-4:	O-2:H-1:H-1:H-1:	N[6]-2:N[6]-2:O-2:Cl-1:	O(P[6]N[6]2Cl)(CH3)	C(OP[6])(H)3	P[6](N[6]P[6])2(OC)(Cl)	O(P[6]N[6]2Cl)(CH3)	C(OP[6])(H)3	P[6](N[6]P[6])2(OC)(Cl){1|Cl<1>,1|N<2>,3|O<2>}	120.0285	0.579	2	120.8054	1.465	5	121.2734	1.949	11	121.2028	1.831	12	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:1:1:1:	2:2:2:1:	P[6]-4:C-4:	O-2:H-1:H-1:H-1:	N[6]-2:N[6]-2:O-2:Cl-1:	O(P[6]N[6]2Cl)(CH3)	C(OP[6])(H)3	P[6](N[6]P[6])2(OC)(Cl)	O(P[6]N[6]2Cl)(CH3)	C(OP[6])(H)3	P[6](N[6]P[6])2(OC)(Cl){2|Cl<1>,1|N<2>,2|O<2>}	121.3233	1.325	3	120.8054	1.465	5	121.2734	1.949	11	121.2028	1.831	12	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:1:1:1:	2:2:2:1:	P[6]-4:C-4:	O-2:H-1:H-1:H-1:	O[6]-2:O[6]-2:O-2:O-1:	O(P[6]O[6]2O)(CH3)	C(OP[6])(H)3	P[6](O[6]C[6,6])(O[6]C[6])(OC)(O)	O(P[6]O[6]2O)(CH3)	C(OP[6])(H)3	P[6](O[6]C[6,6])(O[6]C[6])(OC)(O){2|C<4>,3|H<1>}	120.4270	0.000	1	120.4270	0.000	1	120.4270	0.000	1	121.2028	1.831	12	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:1:1:1:	2:2:2:2:	P[6]-4:C-4:	O-2:H-1:H-1:H-1:	N[6]-2:N[6]-2:O-2:O-2:	O(P[6]N[6]2O)(CH3)	C(OP[6])(H)3	P[6](N[6]P[6])2(OC)2	O(P[6]N[6]2O)(CH3)	C(OP[6])(H)3	P[6](N[6]P[6])2(OC)2{1|Cl<1>,1|N<2>,3|O<2>}	118.3540	0.730	3	119.2824	1.614	22	119.2824	1.614	22	119.2824	1.614	22	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:1:1:1:	2:2:2:2:	P[6]-4:C-4:	O-2:H-1:H-1:H-1:	N[6]-2:N[6]-2:O-2:O-2:	O(P[6]N[6]2O)(CH3)	C(OP[6])(H)3	P[6](N[6]P[6])2(OC)2	O(P[6]N[6]2O)(CH3)	C(OP[6])(H)3	P[6](N[6]P[6])2(OC)2{1|N<2>,2|C<3>,2|O<2>}	120.2170	1.516	6	119.2824	1.614	22	119.2824	1.614	22	119.2824	1.614	22	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:1:1:1:	2:2:2:2:	P[6]-4:C-4:	O-2:H-1:H-1:H-1:	N[6]-2:N[6]-2:O-2:O-2:	O(P[6]N[6]2O)(CH3)	C(OP[6])(H)3	P[6](N[6]P[6])2(OC)2	O(P[6]N[6]2O)(CH3)	C(OP[6])(H)3	P[6](N[6]P[6])2(OC)2{1|N<2>,4|O<2>}	118.6701	0.960	8	119.2824	1.614	22	119.2824	1.614	22	119.2824	1.614	22	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:1:1:1:	2:2:2:2:	P[6]-4:C-4:	O-2:H-1:H-1:H-1:	N[6]-2:N[6]-2:O-2:O-2:	O(P[6]N[6]2O)(CH3)	C(OP[6])(H)3	P[6](N[6]P[6])2(OC)2	O(P[6]N[6]2O)(CH3)	C(OP[6])(H)3	P[6](N[6]P[6])2(OC)2{2|Cl<1>,1|N<2>,2|O<2>}	119.8605	0.944	4	119.2824	1.614	22	119.2824	1.614	22	119.2824	1.614	22	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:1:1:1:	2:2:2:2:	P[6]-4:C-4:	O-2:H-1:H-1:H-1:	N[6]-2:N[6]-2:O-2:O-2:	O(P[6]N[6]2O)(CH3)	C(OP[6])(H)3	P[6](N[6]P[6])2(OC)2	O(P[6]N[6]2O)(CH3)	C(OP[6])(H)3	P[6](N[6]P[6])2(OC)2{3|Cl<1>,1|N<2>,1|O<2>}	119.0460	0.000	1	119.2824	1.614	22	119.2824	1.614	22	119.2824	1.614	22	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:1:1:1:	2:2:3:2:	P[6]-4:C-4:	O-2:H-1:H-1:H-1:	N[6]-2:N[6]-2:N-3:O-2:	O(P[6]N[6]2N)(CH3)	C(OP[6])(H)3	P[6](N[6]P[6])2(NCH)(OC)	O(P[6]N[6]2N)(CH3)	C(OP[6])(H)3	P[6](N[6]P[6])2(NCH)(OC){3|Cl<1>,1|N<2>,1|O<2>}	117.8920	0.000	1	117.8920	0.000	1	117.8920	0.000	1	117.8920	0.000	1	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:1:1:1:	2:3:2:1:	P[6]-4:C-4:	O-2:H-1:H-1:H-1:	O[6]-2:C[6]-3:O-2:O-1:	O(P[6]C[6]O[6]O)(CH3)	C(OP[6])(H)3	P[6](O[6]C[6,6a])(C[6]C[6]C)(OC)(O)	O(P[6]C[6]O[6]O)(CH3)	C(OP[6])(H)3	P[6](O[6]C[6,6a])(C[6]C[6]C)(OC)(O){1|O<1>,2|C<3>}	120.0335	2.043	4	120.0335	4.172	4	120.0335	4.172	4	120.0335	4.172	4	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:1:1:1:	3:2:2:2:	P[6]-4:C-4:	O-2:H-1:H-1:H-1:	N[5]-3:N[6]-2:N[6]-2:O-2:	O(P[6]N[5]N[6]2)(CH3)	C(OP[6])(H)3	P[6](N[5]C[5]2)(N[6]P[6])2(OC)	O(P[6]N[5]N[6]2)(CH3)	C(OP[6])(H)3	P[6](N[5]C[5]2)(N[6]P[6])2(OC){2|Cl<1>,1|N<2>,2|C<4>,2|O<2>,4|H<1>}	118.6650	0.000	1	118.6650	0.000	1	118.6650	0.000	1	118.6650	0.000	1	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:1:1:1:	4:2:4:2:	P[6]-4:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:O[6]-2:B-4:O-2:	O(P[6]C[6]O[6]B)(CH3)	C(OP[6])(H)3	P[6](C[6]C[6]HO)(O[6]C[6])(BH3)(OC)	O(P[6]C[6]O[6]B)(CH3)	C(OP[6])(H)3	P[6](C[6]C[6]HO)(O[6]C[6])(BH3)(OC){1|O<2>,2|C<4>,2|H<1>}	120.0540	0.000	1	120.0540	0.000	1	120.0540	0.000	1	120.0540	0.000	1	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:3:1:1:	2:2:2:1:	P[6]-4:C-4:	O-2:C-3:H-1:H-1:	O[6]-2:O[6]-2:O-2:O-1:	O(P[6]O[6]2O)(CCHH)	C(OP[6])(CCH)(H)2	P[6](O[6]C[6])2(OC)(O)	O(P[6]O[6]2O)(CCHH)	C(OP[6])(CCH)(H)2	P[6](O[6]C[6])2(OC)(O){1|C<4>,2|C<3>,2|H<1>}	120.5890	0.000	1	120.5890	0.000	1	120.5890	0.000	1	120.5890	0.000	1	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:3:1:1:	2:2:2:2:	P[6]-4:C-4:	O-2:C-3:H-1:H-1:	N[6]-2:N[6]-2:O-2:O-2:	O(P[6]N[6]2O)(CCHH)	C(OP[6])(CCH)(H)2	P[6](N[6]P[6])2(OC)2	O(P[6]N[6]2O)(CCHH)	C(OP[6])(CCH)(H)2	P[6](N[6]P[6])2(OC)2{1|N<2>,2|C<3>,2|O<2>}	118.9855	0.393	4	119.2896	0.861	10	119.2896	0.861	10	119.2896	0.861	10	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:3:1:1:	2:2:2:2:	P[6]-4:C-4:	O-2:C-3:H-1:H-1:	N[6]-2:N[6]-2:O-2:O-2:	O(P[6]N[6]2O)(CCHH)	C(OP[6])(CCH)(H)2	P[6](N[6]P[6])2(OC)2	O(P[6]N[6]2O)(CCHH)	C(OP[6])(CCH)(H)2	P[6](N[6]P[6])2(OC)2{1|N<2>,4|O<2>}	119.4923	1.155	6	119.2896	0.861	10	119.2896	0.861	10	119.2896	0.861	10	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:3:1:1:	2:2:4:2:	P[6]-4:C-4:	O-2:C-3:H-1:H-1:	O[6]-2:O[6]-2:B-4:O-2:	O(P[6]O[6]2B)(CCHH)	C(OP[6])(CCH)(H)2	P[6](O[6]C[6])2(BH3)(OC)	O(P[6]O[6]2B)(CCHH)	C(OP[6])(CCH)(H)2	P[6](O[6]C[6])2(BH3)(OC){1|C<4>,2|C<3>,2|H<1>}	119.3535	0.008	2	119.3535	0.000	2	119.3535	0.000	2	119.3535	0.000	2	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:4:1:1:	2:2:2:1:	P[6]-4:C-4:	O-2:C-4:H-1:H-1:	N[6]-2:N[6]-2:O-2:Cl-1:	O(P[6]N[6]2Cl)(CCHH)	C(OP[6])(CC3)(H)2	P[6](N[6]P[6])2(OC)(Cl)	O(P[6]N[6]2Cl)(CCHH)	C(OP[6])(CC3)(H)2	P[6](N[6]P[6])2(OC)(Cl){1|Cl<1>,1|N<2>,3|O<2>}	119.5680	2.024	4	120.7094	2.118	14	120.9253	2.081	59	120.9212	2.065	62	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:4:1:1:	2:2:2:1:	P[6]-4:C-4:	O-2:C-4:H-1:H-1:	N[6]-2:N[6]-2:O-2:Cl-1:	O(P[6]N[6]2Cl)(CCHH)	C(OP[6])(CC3)(H)2	P[6](N[6]P[6])2(OC)(Cl)	O(P[6]N[6]2Cl)(CCHH)	C(OP[6])(CC3)(H)2	P[6](N[6]P[6])2(OC)(Cl){3|Cl<1>,1|N<2>,1|O<2>}	121.1660	0.940	10	120.7094	2.118	14	120.9253	2.081	59	120.9212	2.065	62	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:4:1:1:	2:2:2:1:	P[6]-4:C-4:	O-2:C-4:H-1:H-1:	N[6]-2:N[6]-2:O-2:Cl-1:	O(P[6]N[6]2Cl)(CCHH)	C(OP[6])(CCCH)(H)2	P[6](N[6]P[6])2(OC)(Cl)	O(P[6]N[6]2Cl)(CCHH)	C(OP[6])(CCCH)(H)2	P[6](N[6]P[6])2(OC)(Cl){3|Cl<1>,1|N<2>,1|O<2>}	120.4930	1.058	2	120.4930	1.119	2	120.9253	2.081	59	120.9212	2.065	62	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:4:1:1:	2:2:2:1:	P[6]-4:C-4:	O-2:C-4:H-1:H-1:	N[6]-2:N[6]-2:O-2:Cl-1:	O(P[6]N[6]2Cl)(CCHH)	C(OP[6])(CCFF)(H)2	P[6](N[6]P[6])2(OC)(Cl)	O(P[6]N[6]2Cl)(CCHH)	C(OP[6])(CCFF)(H)2	P[6](N[6]P[6])2(OC)(Cl){1|Cl<1>,1|N<2>,1|N<3>,2|O<2>}	121.2800	0.291	2	121.2959	0.628	16	120.9253	2.081	59	120.9212	2.065	62	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:4:1:1:	2:2:2:1:	P[6]-4:C-4:	O-2:C-4:H-1:H-1:	N[6]-2:N[6]-2:O-2:Cl-1:	O(P[6]N[6]2Cl)(CCHH)	C(OP[6])(CCFF)(H)2	P[6](N[6]P[6])2(OC)(Cl)	O(P[6]N[6]2Cl)(CCHH)	C(OP[6])(CCFF)(H)2	P[6](N[6]P[6])2(OC)(Cl){1|Cl<1>,1|N<2>,3|O<2>}	121.0820	0.728	4	121.2959	0.628	16	120.9253	2.081	59	120.9212	2.065	62	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:4:1:1:	2:2:2:1:	P[6]-4:C-4:	O-2:C-4:H-1:H-1:	N[6]-2:N[6]-2:O-2:Cl-1:	O(P[6]N[6]2Cl)(CCHH)	C(OP[6])(CCFF)(H)2	P[6](N[6]P[6])2(OC)(Cl)	O(P[6]N[6]2Cl)(CCHH)	C(OP[6])(CCFF)(H)2	P[6](N[6]P[6])2(OC)(Cl){1|N<2>,4|O<2>}	120.8080	0.000	1	121.2959	0.628	16	120.9253	2.081	59	120.9212	2.065	62	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:4:1:1:	2:2:2:1:	P[6]-4:C-4:	O-2:C-4:H-1:H-1:	N[6]-2:N[6]-2:O-2:Cl-1:	O(P[6]N[6]2Cl)(CCHH)	C(OP[6])(CCFF)(H)2	P[6](N[6]P[6])2(OC)(Cl)	O(P[6]N[6]2Cl)(CCHH)	C(OP[6])(CCFF)(H)2	P[6](N[6]P[6])2(OC)(Cl){2|Cl<1>,1|N<2>,2|O<2>}	121.4932	0.662	6	121.2959	0.628	16	120.9253	2.081	59	120.9212	2.065	62	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:4:1:1:	2:2:2:1:	P[6]-4:C-4:	O-2:C-4:H-1:H-1:	N[6]-2:N[6]-2:O-2:Cl-1:	O(P[6]N[6]2Cl)(CCHH)	C(OP[6])(CCFF)(H)2	P[6](N[6]P[6])2(OC)(Cl)	O(P[6]N[6]2Cl)(CCHH)	C(OP[6])(CCFF)(H)2	P[6](N[6]P[6])2(OC)(Cl){3|Cl<1>,1|N<2>,1|O<2>}	121.3597	1.563	3	121.2959	0.628	16	120.9253	2.081	59	120.9212	2.065	62	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:4:1:1:	2:2:2:1:	P[6]-4:C-4:	O-2:C-4:H-1:H-1:	N[6]-2:N[6]-2:O-2:Cl-1:	O(P[6]N[6]2Cl)(CCHH)	C(OP[6])(CCHH)(H)2	P[6](N[6]P[5,6])(N[6]P[6])(OC)(Cl)	O(P[6]N[6]2Cl)(CCHH)	C(OP[6])(CCHH)(H)2	P[6](N[6]P[5,6])(N[6]P[6])(OC)(Cl){1|Cl<1>,1|N<2>,1|N<3>,2|O<2>}	119.5078	1.095	4	119.5078	1.199	4	120.9253	2.081	59	120.9212	2.065	62	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:4:1:1:	2:2:2:1:	P[6]-4:C-4:	O-2:C-4:H-1:H-1:	N[6]-2:N[6]-2:O-2:Cl-1:	O(P[6]N[6]2Cl)(CCHH)	C(OP[6])(CCHH)(H)2	P[6](N[6]P[6])2(OC)(Cl)	O(P[6]N[6]2Cl)(CCHH)	C(OP[6])(CCHH)(H)2	P[6](N[6]P[6])2(OC)(Cl){3|Cl<1>,1|N<2>,1|O<2>}	120.4845	0.927	4	120.5794	0.690	5	120.9253	2.081	59	120.9212	2.065	62	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:4:1:1:	2:2:2:1:	P[6]-4:C-4:	O-2:C-4:H-1:H-1:	N[6]-2:N[6]-2:O-2:Cl-1:	O(P[6]N[6]2Cl)(CCHH)	C(OP[6])(CCHH)(H)2	P[6](N[6]P[6])2(OC)(Cl)	O(P[6]N[6]2Cl)(CCHH)	C(OP[6])(CCHH)(H)2	P[6](N[6]P[6])2(OC)(Cl){4|Cl<1>,1|N<2>}	120.9590	0.000	1	120.5794	0.690	5	120.9253	2.081	59	120.9212	2.065	62	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:4:1:1:	2:2:2:1:	P[6]-4:C-4:	O-2:C-4:H-1:H-1:	N[6]-2:N[6]-2:O-2:Cl-1:	O(P[6]N[6]2Cl)(CCHH)	C(OP[6])(CHHN)(H)2	P[6](N[6]P[6])2(OC)(Cl)	O(P[6]N[6]2Cl)(CCHH)	C(OP[6])(CHHN)(H)2	P[6](N[6]P[6])2(OC)(Cl){2|Cl<1>,1|N<2>,1|N<3>,1|O<2>}	118.5540	0.000	1	118.2315	0.208	2	120.9253	2.081	59	120.9212	2.065	62	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:4:1:1:	2:2:2:1:	P[6]-4:C-4:	O-2:C-4:H-1:H-1:	N[6]-2:N[6]-2:O-2:Cl-1:	O(P[6]N[6]2Cl)(CCHH)	C(OP[6])(CHHN)(H)2	P[6](N[6]P[6])2(OC)(Cl)	O(P[6]N[6]2Cl)(CCHH)	C(OP[6])(CHHN)(H)2	P[6](N[6]P[6])2(OC)(Cl){2|Cl<1>,1|O<2>,2|N<2>}	117.9090	0.000	1	118.2315	0.208	2	120.9253	2.081	59	120.9212	2.065	62	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:4:1:1:	2:2:2:1:	P[6]-4:C-4:	O-2:C-4:H-1:H-1:	N[6]-2:N[6]-2:O-2:Cl-1:	O(P[6]N[6]2Cl)(CCHH)	C(OP[6])(CHHO)(H)2	P[6](N[6]P[5,6])(N[6]P[6])(OC)(Cl)	O(P[6]N[6]2Cl)(CCHH)	C(OP[6])(CHHO)(H)2	P[6](N[6]P[5,6])(N[6]P[6])(OC)(Cl){1|Cl<1>,1|N<2>,1|N<3>,2|O<2>}	119.0495	0.170	2	121.4560	8.871	4	120.9253	2.081	59	120.9212	2.065	62	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:4:1:1:	2:2:2:1:	P[6]-4:C-4:	O-2:C-4:H-1:H-1:	N[6]-2:N[6]-2:O-2:Cl-1:	O(P[6]N[6]2Cl)(CCHH)	C(OP[6])(CHHO)(H)2	P[6](N[6]P[5,6])(N[6]P[6])(OC)(Cl)	O(P[6]N[6]2Cl)(CCHH)	C(OP[6])(CHHO)(H)2	P[6](N[6]P[5,6])(N[6]P[6])(OC)(Cl){1|Cl<1>,1|N<2>,3|O<2>}	123.8625	1.849	2	121.4560	8.871	4	120.9253	2.081	59	120.9212	2.065	62	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:4:1:1:	2:2:2:1:	P[6]-4:C-4:	O-2:C-4:H-1:H-1:	N[6]-2:N[6]-2:O-2:Cl-1:	O(P[6]N[6]2Cl)(CCHH)	C(OP[6])(CHHO)(H)2	P[6](N[6]P[6,6])(N[6]P[6])(OC)(Cl)	O(P[6]N[6]2Cl)(CCHH)	C(OP[6])(CHHO)(H)2	P[6](N[6]P[6,6])(N[6]P[6])(OC)(Cl){1|Cl<1>,1|N<2>,1|N<3>,2|O<2>}	121.2415	1.322	2	121.2280	0.599	8	120.9253	2.081	59	120.9212	2.065	62	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:4:1:1:	2:2:2:1:	P[6]-4:C-4:	O-2:C-4:H-1:H-1:	N[6]-2:N[6]-2:O-2:Cl-1:	O(P[6]N[6]2Cl)(CCHH)	C(OP[6])(CHHO)(H)2	P[6](N[6]P[6,6])(N[6]P[6])(OC)(Cl)	O(P[6]N[6]2Cl)(CCHH)	C(OP[6])(CHHO)(H)2	P[6](N[6]P[6,6])(N[6]P[6])(OC)(Cl){1|Cl<1>,2|N<2>,2|O<2>}	121.2235	0.700	6	121.2280	0.599	8	120.9253	2.081	59	120.9212	2.065	62	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:4:1:1:	2:2:2:1:	P[6]-4:C-4:	O-2:C-4:H-1:H-1:	N[6]-2:N[6]-2:O-2:Cl-1:	O(P[6]N[6]2Cl)(CCHH)	C(OP[6])(CHHO)(H)2	P[6](N[6]P[6])2(OC)(Cl)	O(P[6]N[6]2Cl)(CCHH)	C(OP[6])(CHHO)(H)2	P[6](N[6]P[6])2(OC)(Cl){1|Cl<1>,1|N<2>,1|O<2>,2|C<3>}	122.7445	0.330	2	122.4748	2.467	4	120.9253	2.081	59	120.9212	2.065	62	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:4:1:1:	2:2:2:1:	P[6]-4:C-4:	O-2:C-4:H-1:H-1:	N[6]-2:N[6]-2:O-2:Cl-1:	O(P[6]N[6]2Cl)(CCHH)	C(OP[6])(CHHO)(H)2	P[6](N[6]P[6])2(OC)(Cl)	O(P[6]N[6]2Cl)(CCHH)	C(OP[6])(CHHO)(H)2	P[6](N[6]P[6])2(OC)(Cl){1|Cl<1>,1|N<2>,3|O<2>}	124.0760	0.000	1	122.4748	2.467	4	120.9253	2.081	59	120.9212	2.065	62	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:4:1:1:	2:2:2:1:	P[6]-4:C-4:	O-2:C-4:H-1:H-1:	N[6]-2:N[6]-2:O-2:Cl-1:	O(P[6]N[6]2Cl)(CCHH)	C(OP[6])(CHHO)(H)2	P[6](N[6]P[6])2(OC)(Cl)	O(P[6]N[6]2Cl)(CCHH)	C(OP[6])(CHHO)(H)2	P[6](N[6]P[6])2(OC)(Cl){2|Cl<1>,1|N<2>,2|O<2>}	120.3340	0.000	1	122.4748	2.467	4	120.9253	2.081	59	120.9212	2.065	62	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:4:1:1:	2:2:2:1:	P[6]-4:C-4:	O-2:C-4:H-1:H-1:	O[6]-2:O[6]-2:O-2:O-1:	O(P[6]O[6]2O)(CCHH)	C(OP[6])(CCHH)(H)2	P[6](O[6]C[6])2(OC)(O)	O(P[6]O[6]2O)(CCHH)	C(OP[6])(CCHH)(H)2	P[6](O[6]C[6])2(OC)(O){2|H<1>,3|C<4>}	119.0000	0.000	1	119.0000	0.000	1	119.0000	0.000	1	120.9212	2.065	62	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:4:1:1:	2:2:2:1:	P[6]-4:C-4:	O-2:P-4:H-1:H-1:	N[6]-2:N[6]-2:O-2:F-1:	O(P[6]N[6]2F)(CHHP)	C(OP[6])(PCCS)(H)2	P[6](N[6]P[6])2(OC)(F)	O(P[6]N[6]2F)(CHHP)	C(OP[6])(PCCS)(H)2	P[6](N[6]P[6])2(OC)(F){1|N<2>,1|O<2>,3|F<1>}	121.7615	0.418	2	121.7615	0.175	2	121.7615	0.175	2	120.9212	2.065	62	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:4:1:1:	2:2:2:2:	P[6]-4:C-4:	O-2:C-4:H-1:H-1:	N[6]-2:N[6]-2:N-2:O-2:	O(P[6]N[6]2N)(CCHH)	C(OP[6])(CH3)(H)2	P[6](N[6]P[6])2(NC)(OC)	O(P[6]N[6]2N)(CCHH)	C(OP[6])(CH3)(H)2	P[6](N[6]P[6])2(NC)(OC){3|Cl<1>,1|N<2>,1|O<2>}	118.4760	0.000	1	118.4760	0.000	1	118.4955	0.001	2	120.6419	5.341	49	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:4:1:1:	2:2:2:2:	P[6]-4:C-4:	O-2:C-4:H-1:H-1:	N[6]-2:N[6]-2:N-2:O-2:	O(P[6]N[6]2N)(CCHH)	C(OP[6])(CHHO)(H)2	P[6](N[6]P[6])2(NC)(OC)	O(P[6]N[6]2N)(CCHH)	C(OP[6])(CHHO)(H)2	P[6](N[6]P[6])2(NC)(OC){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	118.5150	0.000	1	118.5150	0.000	1	118.4955	0.001	2	120.6419	5.341	49	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:4:1:1:	2:2:2:2:	P[6]-4:C-4:	O-2:C-4:H-1:H-1:	N[6]-2:N[6]-2:O-2:O-2:	O(P[6]N[6]2O)(CCHH)	C(OP[6])(CCFF)(H)2	P[6](N[6]P[6])2(OC)2	O(P[6]N[6]2O)(CCHH)	C(OP[6])(CCFF)(H)2	P[6](N[6]P[6])2(OC)2{1|Cl<1>,1|N<2>,1|N<3>,2|O<2>}	119.5140	0.146	2	120.2595	1.410	13	120.7332	5.365	47	120.6419	5.341	49	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:4:1:1:	2:2:2:2:	P[6]-4:C-4:	O-2:C-4:H-1:H-1:	N[6]-2:N[6]-2:O-2:O-2:	O(P[6]N[6]2O)(CCHH)	C(OP[6])(CCFF)(H)2	P[6](N[6]P[6])2(OC)2	O(P[6]N[6]2O)(CCHH)	C(OP[6])(CCFF)(H)2	P[6](N[6]P[6])2(OC)2{1|Cl<1>,1|N<2>,3|O<2>}	119.3400	0.000	1	120.2595	1.410	13	120.7332	5.365	47	120.6419	5.341	49	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:4:1:1:	2:2:2:2:	P[6]-4:C-4:	O-2:C-4:H-1:H-1:	N[6]-2:N[6]-2:O-2:O-2:	O(P[6]N[6]2O)(CCHH)	C(OP[6])(CCFF)(H)2	P[6](N[6]P[6])2(OC)2	O(P[6]N[6]2O)(CCHH)	C(OP[6])(CCFF)(H)2	P[6](N[6]P[6])2(OC)2{1|N<2>,4|O<2>}	120.2982	1.426	4	120.2595	1.410	13	120.7332	5.365	47	120.6419	5.341	49	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:4:1:1:	2:2:2:2:	P[6]-4:C-4:	O-2:C-4:H-1:H-1:	N[6]-2:N[6]-2:O-2:O-2:	O(P[6]N[6]2O)(CCHH)	C(OP[6])(CCFF)(H)2	P[6](N[6]P[6])2(OC)2	O(P[6]N[6]2O)(CCHH)	C(OP[6])(CCFF)(H)2	P[6](N[6]P[6])2(OC)2{2|Cl<1>,1|N<2>,2|O<2>}	120.6353	1.264	6	120.2595	1.410	13	120.7332	5.365	47	120.6419	5.341	49	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:4:1:1:	2:2:2:2:	P[6]-4:C-4:	O-2:C-4:H-1:H-1:	N[6]-2:N[6]-2:O-2:O-2:	O(P[6]N[6]2O)(CCHH)	C(OP[6])(CCHH)(H)2	P[6](N[6]P[6])(N[6]S[6])(OC)2	O(P[6]N[6]2O)(CCHH)	C(OP[6])(CCHH)(H)2	P[6](N[6]P[6])(N[6]S[6])(OC)2{1|C<3>,1|N<2>,1|O<1>,2|O<2>}	124.7827	2.689	4	124.7827	7.230	4	120.7332	5.365	47	120.6419	5.341	49	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:4:1:1:	2:2:2:2:	P[6]-4:C-4:	O-2:C-4:H-1:H-1:	N[6]-2:N[6]-2:O-2:O-2:	O(P[6]N[6]2O)(CCHH)	C(OP[6])(CCHH)(H)2	P[6](N[6]P[6])2(OC)2	O(P[6]N[6]2O)(CCHH)	C(OP[6])(CCHH)(H)2	P[6](N[6]P[6])2(OC)2{1|N<2>,2|C<3>,2|O<2>}	121.5455	1.445	4	121.4570	1.293	6	120.7332	5.365	47	120.6419	5.341	49	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:4:1:1:	2:2:2:2:	P[6]-4:C-4:	O-2:C-4:H-1:H-1:	N[6]-2:N[6]-2:O-2:O-2:	O(P[6]N[6]2O)(CCHH)	C(OP[6])(CCHH)(H)2	P[6](N[6]P[6])2(OC)2	O(P[6]N[6]2O)(CCHH)	C(OP[6])(CCHH)(H)2	P[6](N[6]P[6])2(OC)2{1|N<2>,4|C<3>}	121.2800	0.320	2	121.4570	1.293	6	120.7332	5.365	47	120.6419	5.341	49	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:4:1:1:	2:2:2:2:	P[6]-4:C-4:	O-2:C-4:H-1:H-1:	N[6]-2:N[6]-2:O-2:O-2:	O(P[6]N[6]2O)(CCHH)	C(OP[6])(CF3)(H)2	P[6](N[6]P[6])2(OC)2	O(P[6]N[6]2O)(CCHH)	C(OP[6])(CF3)(H)2	P[6](N[6]P[6])2(OC)2{1|N<2>,2|C<3>,2|O<2>}	119.7755	0.138	4	119.7755	0.019	4	120.7332	5.365	47	120.6419	5.341	49	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:4:1:1:	2:2:2:2:	P[6]-4:C-4:	O-2:C-4:H-1:H-1:	N[6]-2:N[6]-2:O-2:O-2:	O(P[6]N[6]2O)(CCHH)	C(OP[6])(CHHO)(H)2	P[6](N[6]P[6])2(OC)2	O(P[6]N[6]2O)(CCHH)	C(OP[6])(CHHO)(H)2	P[6](N[6]P[6])2(OC)2{1|N<2>,2|C<3>,2|O<2>}	119.7483	2.433	10	119.9840	8.252	12	120.7332	5.365	47	120.6419	5.341	49	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:4:1:1:	2:2:2:2:	P[6]-4:C-4:	O-2:C-4:H-1:H-1:	N[6]-2:N[6]-2:O-2:O-2:	O(P[6]N[6]2O)(CCHH)	C(OP[6])(CHHO)(H)2	P[6](N[6]P[6])2(OC)2	O(P[6]N[6]2O)(CCHH)	C(OP[6])(CHHO)(H)2	P[6](N[6]P[6])2(OC)2{1|N<2>,2|N<3>,2|O<2>}	125.2950	0.000	1	119.9840	8.252	12	120.7332	5.365	47	120.6419	5.341	49	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:4:1:1:	2:2:2:2:	P[6]-4:C-4:	O-2:C-4:H-1:H-1:	N[6]-2:N[6]-2:O-2:O-2:	O(P[6]N[6]2O)(CCHH)	C(OP[6])(CHHO)(H)2	P[6](N[6]P[6])2(OC)2	O(P[6]N[6]2O)(CCHH)	C(OP[6])(CHHO)(H)2	P[6](N[6]P[6])2(OC)2{3|Cl<1>,1|N<2>,1|O<2>}	117.0300	0.000	1	119.9840	8.252	12	120.7332	5.365	47	120.6419	5.341	49	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:4:1:1:	2:2:2:2:	P[6]-4:C-4:	O-2:C-4:H-1:H-1:	N[6]-2:N[6]-2:O-2:O-2:	O(P[6]N[6]2O)(CCHH)	C(OP[6])(CHHO)(H)2	P[6](N[6]P[6])2(OC[6a])(OC)	O(P[6]N[6]2O)(CCHH)	C(OP[6])(CHHO)(H)2	P[6](N[6]P[6])2(OC[6a])(OC){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	120.9250	0.000	1	120.5383	4.074	8	120.7332	5.365	47	120.6419	5.341	49	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:4:1:1:	2:2:2:2:	P[6]-4:C-4:	O-2:C-4:H-1:H-1:	N[6]-2:N[6]-2:O-2:O-2:	O(P[6]N[6]2O)(CCHH)	C(OP[6])(CHHO)(H)2	P[6](N[6]P[6])2(OC[6a])(OC)	O(P[6]N[6]2O)(CCHH)	C(OP[6])(CHHO)(H)2	P[6](N[6]P[6])2(OC[6a])(OC){1|N<2>,2|C<3>,2|O<2>}	119.1750	1.148	4	120.5383	4.074	8	120.7332	5.365	47	120.6419	5.341	49	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:4:1:1:	2:2:2:2:	P[6]-4:C-4:	O-2:C-4:H-1:H-1:	N[6]-2:N[6]-2:O-2:O-2:	O(P[6]N[6]2O)(CCHH)	C(OP[6])(CHHO)(H)2	P[6](N[6]P[6])2(OC[6a])(OC)	O(P[6]N[6]2O)(CCHH)	C(OP[6])(CHHO)(H)2	P[6](N[6]P[6])2(OC[6a])(OC){2|Cl<1>,1|N<2>,2|O<2>}	122.2270	2.053	3	120.5383	4.074	8	120.7332	5.365	47	120.6419	5.341	49	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:4:1:1:	2:2:3:2:	P[6]-4:C-4:	O-2:C-4:H-1:H-1:	N[6]-2:N[6]-2:N-3:O-2:	O(P[6]N[6]2N)(CCHH)	C(OP[6])(CHHO)(H)2	P[6](N[6]P[6])2(NCH)(OC)	O(P[6]N[6]2N)(CCHH)	C(OP[6])(CHHO)(H)2	P[6](N[6]P[6])2(NCH)(OC){1|O<2>,2|C<3>,2|N<2>}	118.4010	0.000	1	118.4010	0.000	1	120.6145	3.342	4	120.6145	3.342	4	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:4:1:1:	2:2:3:2:	P[6]-4:C-4:	O-2:C-4:H-1:H-1:	N[6]-2:N[6]-2:N-3:O-2:	O(P[6]N[6]2N)(CCHH)	C(OP[6])(CHHO)(H)2	P[6](N[6]P[6])2(NC[6a]H)(OC)	O(P[6]N[6]2N)(CCHH)	C(OP[6])(CHHO)(H)2	P[6](N[6]P[6])2(NC[6a]H)(OC){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	121.4800	1.843	2	121.3523	1.747	3	120.6145	3.342	4	120.6145	3.342	4	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:4:1:1:	2:2:3:2:	P[6]-4:C-4:	O-2:C-4:H-1:H-1:	N[6]-2:N[6]-2:N-3:O-2:	O(P[6]N[6]2N)(CCHH)	C(OP[6])(CHHO)(H)2	P[6](N[6]P[6])2(NC[6a]H)(OC)	O(P[6]N[6]2N)(CCHH)	C(OP[6])(CHHO)(H)2	P[6](N[6]P[6])2(NC[6a]H)(OC){1|N<2>,2|C<3>,2|O<2>}	121.0970	0.000	1	121.3523	1.747	3	120.6145	3.342	4	120.6145	3.342	4	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:4:1:1:	3:2:2:1:	P[6]-4:C-4:	O-2:C-4:H-1:H-1:	C[6,6a]-3:O[6]-2:O-2:O-1:	O(P[6]C[6,6a]O[6]O)(CCHH)	C(OP[6])(CH3)(H)2	P[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(OC)(O)	O(P[6]C[6,6a]O[6]O)(CCHH)	C(OP[6])(CH3)(H)2	P[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(OC)(O){1|H<1>,4|C<3>}	123.1310	0.000	1	123.1310	0.000	1	121.8095	3.493	2	121.8095	3.493	2	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:4:1:1:	3:2:2:1:	P[6]-4:C-4:	O-2:C-4:H-1:H-1:	C[6,6a]-3:O[6]-2:O-2:O-1:	O(P[6]C[6,6a]O[6]O)(CCHH)	C(OP[6])(CH3)(H)2	P[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC)(O)	O(P[6]C[6,6a]O[6]O)(CCHH)	C(OP[6])(CH3)(H)2	P[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC)(O){1|H<1>,4|C<3>}	120.4880	0.000	1	120.4880	0.000	1	121.8095	3.493	2	121.8095	3.493	2	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:4:1:1:	3:2:2:2:	P[6]-4:C-4:	O-2:C-4:H-1:H-1:	N[6]-3:N[6]-2:N[6]-2:O-2:	O(P[6]N[6]3)(CCHH)	C(OP[6])(CHHO)(H)2	P[6](N[6]C[6]2)(N[6]P[6])2(OC)	O(P[6]N[6]3)(CCHH)	C(OP[6])(CHHO)(H)2	P[6](N[6]C[6]2)(N[6]P[6])2(OC){1|N<2>,1|N<3>,2|C<4>,3|O<2>,4|H<1>}	120.8060	0.000	1	120.8060	0.000	1	120.8060	0.000	1	120.8060	0.000	1	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:4:1:1:	3:3:2:1:	P[6]-4:C-4:	O-2:C-4:H-1:H-1:	C[6,6a]-3:N[6]-3:O-2:O-1:	O(P[6]C[6,6a]N[6]O)(CCHH)	C(OP[6])(CH3)(H)2	P[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(OC)(O)	O(P[6]C[6,6a]N[6]O)(CCHH)	C(OP[6])(CH3)(H)2	P[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(OC)(O){1|H<1>,4|C<3>}	119.5840	0.000	1	119.5840	0.000	1	119.5840	0.000	1	119.5840	0.000	1	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:4:1:1:	4:2:2:1:	P[6]-4:C-4:	O-2:C-4:H-1:H-1:	C[6]-4:O[6]-2:O-2:O-1:	O(P[6]C[6]O[6]O)(CCHH)	C(OP[6])(CH3)(H)2	P[6](C[6]C[6]CH)(O[6]C[6])(OC)(O)	O(P[6]C[6]O[6]O)(CCHH)	C(OP[6])(CH3)(H)2	P[6](C[6]C[6]CH)(O[6]C[6])(OC)(O){1|S<4>,2|C<4>,2|H<1>}	120.9150	0.000	1	121.4630	0.601	2	121.6150	0.370	3	121.6150	0.370	3	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:4:1:1:	4:2:2:1:	P[6]-4:C-4:	O-2:C-4:H-1:H-1:	C[6]-4:O[6]-2:O-2:O-1:	O(P[6]C[6]O[6]O)(CCHH)	C(OP[6])(CH3)(H)2	P[6](C[6]C[6]CH)(O[6]C[6])(OC)(O)	O(P[6]C[6]O[6]O)(CCHH)	C(OP[6])(CH3)(H)2	P[6](C[6]C[6]CH)(O[6]C[6])(OC)(O){2|C<4>,3|H<1>}	122.0110	0.000	1	121.4630	0.601	2	121.6150	0.370	3	121.6150	0.370	3	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:4:1:1:	4:2:2:1:	P[6]-4:C-4:	O-2:C-4:H-1:H-1:	C[6]-4:O[6]-2:O-2:O-1:	O(P[6]C[6]O[6]O)(CCHH)	C(OP[6])(CH3)(H)2	P[6](C[6]C[6a]C[6]H)(O[6]C[6])(OC)(O)	O(P[6]C[6]O[6]O)(CCHH)	C(OP[6])(CH3)(H)2	P[6](C[6]C[6a]C[6]H)(O[6]C[6])(OC)(O){1|H<1>,5|C<3>}	121.9190	0.000	1	121.9190	0.000	1	121.6150	0.370	3	121.6150	0.370	3	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:4:1:1:	4:2:4:2:	P[6]-4:C-4:	O-2:C-4:H-1:H-1:	C[6]-4:O[6]-2:B-4:O-2:	O(P[6]C[6]O[6]B)(CCHH)	C(OP[6])(CH3)(H)2	P[6](C[6]C[6]HO)(O[6]C[6])(BH3)(OC)	O(P[6]C[6]O[6]B)(CCHH)	C(OP[6])(CH3)(H)2	P[6](C[6]C[6]HO)(O[6]C[6])(BH3)(OC){1|O<2>,2|C<4>,2|H<1>}	120.6750	0.000	1	120.6750	0.000	1	120.6750	0.000	1	120.6750	0.000	1	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:4:1:1:	4:4:2:1:	P[6]-4:C-4:	O-2:C-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:O-1:	O(P[6]C[6]2O)(CCHH)	C(OP[6])(CH3)(H)2	P[6](C[6]C[6]HH)(C[6]P[6]HH)(OC)(O)	O(P[6]C[6]2O)(CCHH)	C(OP[6])(CH3)(H)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>}	120.8155	1.513	2	120.8155	2.288	2	120.9102	0.788	6	120.9102	0.788	6	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:4:1:1:	4:4:2:1:	P[6]-4:C-4:	O-2:C-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:O-1:	O(P[6]C[6]2O)(CCHH)	C(OP[6])(CH3)(H)2	P[6](C[6]O[6]HH)(C[6]P[6]HH)(OC)(O)	O(P[6]C[6]2O)(CCHH)	C(OP[6])(CH3)(H)2	P[6](C[6]O[6]HH)(C[6]P[6]HH)(OC)(O){1|C<4>,1|O<1>,1|O<2>}	120.9575	0.737	4	120.9575	0.542	4	120.9102	0.788	6	120.9102	0.788	6	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	2:4:4:1:	2:2:2:1:	P[6]-4:C-4:	O-2:C-4:C-4:H-1:	O[6]-2:O[6]-2:O-2:O-1:	O(P[6]O[6]2O)(CCCH)	C(OP[6])(CCHH)(CHHO)(H)	P[6](O[6]C[6])2(OC)(O)	O(P[6]O[6]2O)(CCCH)	C(OP[6])(CCHH)(CHHO)(H)	P[6](O[6]C[6])2(OC)(O){2|H<1>,3|C<4>}	118.3600	0.000	1	118.3600	0.000	1	118.3600	0.000	1	118.3600	0.000	1	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	4:2:1:1:	2:2:2:1:	P[6]-4:C-4:	C[5]-4:O-2:H-1:H-1:	O[6]-2:O[6]-2:O-2:O-1:	O(P[6]O[6]2O)(CC[5]HH)	C(C[5]C[5]O[5]H)(OP[6])(H)2	P[6](O[6]C[6,6a])(O[6]C[6])(OC)(O)	O(P[6]O[6]2O)(CC[5]HH)	C(C[5]C[5]O[5]H)(OP[6])(H)2	P[6](O[6]C[6,6a])(O[6]C[6])(OC)(O){2|C<3>,2|H<1>}	115.8540	0.000	1	115.8540	0.000	1	115.8540	0.000	1	119.0622	4.238	5	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	4:2:1:1:	2:2:2:1:	P[6]-4:C-4:	C[6]-4:O-2:H-1:H-1:	N[6]-2:N[6]-2:O-2:Cl-1:	O(P[6]N[6]2Cl)(CC[6]HH)	C(C[6]C[6]2C)(OP[6])(H)2	P[6](N[6]P[6])2(OC)(Cl)	O(P[6]N[6]2Cl)(CC[6]HH)	C(C[6]C[6]2C)(OP[6])(H)2	P[6](N[6]P[6])2(OC)(Cl){1|Cl<1>,1|N<2>,1|O<2>,2|C<3>}	120.8270	0.293	2	119.8642	1.362	4	119.8642	1.362	4	119.0622	4.238	5	120.4617	3.163	189	120.4617	3.163	189
893	490	849	0:SP3_SP3_SP3	O	C	P[6]	4:4:	4:2:1:1:	2:2:2:1:	P[6]-4:C-4:	C[6]-4:O-2:H-1:H-1:	N[6]-2:N[6]-2:O-2:Cl-1:	O(P[6]N[6]2Cl)(CC[6]HH)	C(C[6]C[6]2C)(OP[6])(H)2	P[6](N[6]P[6])2(OC)(Cl)	O(P[6]N[6]2Cl)(CC[6]HH)	C(C[6]C[6]2C)(OP[6])(H)2	P[6](N[6]P[6])2(OC)(Cl){3|Cl<1>,1|N<2>,1|O<2>}	118.9015	0.542	2	119.8642	1.362	4	119.8642	1.362	4	119.0622	4.238	5	120.4617	3.163	189	120.4617	3.163	189
893	490	854	0:SP3_SP3_SP3	O	C	N[6]	4:4:	4:3:2:1:	4:4:2:1:	N[6]-4:C-4:	C[5]-4:C-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O(N[6]C[6]2H)(CC[5]CH)	C(C[5]C[5,6a]C[6a]C[5])(CC[6a]O)(ON[6])(H)	N[6](C[6]C[6]CC)2(OC)(H)	O(N[6]C[6]2H)(CC[5]CH)	C(C[5]C[5,6a]C[6a]C[5])(CC[6a]O)(ON[6])(H)	N[6](C[6]C[6]CC)2(OC)(H){1|C<4>,4|H<1>}	114.7370	0.000	1	114.7370	0.000	1	114.7370	0.000	1	114.7370	0.000	1	114.7370	0.000	1	114.7370	0.000	1
893	490	855	0:SP3_SP3_SPD6	O	C	Si[4x6]	6:4:	2:1:1:1:	3:3:3:3:2:2:	Si[4x6]-6:C-4:	O-2:H-1:H-1:H-1:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:O-2:	O(Si[4x6]N[5a,6,6]4O)(CH3)	C(OSi[4x6])(H)3	Si[4x6](N[5a,6,6]C[5a,6]2)4(OC)2	O(Si[4x6]N[5a,6,6]4O)(CH3)	C(OSi[4x6])(H)3	Si[4x6](N[5a,6,6]C[5a,6]2)4(OC)2{4|N<2>,8|C<3>}	130.1140	0.000	1	130.1140	0.000	1	130.1140	0.000	1	130.1140	0.000	1	142.1553	108.772	3	142.1553	108.772	3
893	490	855	0:SP3_SP3_SPD6	O	C	Si[4x6]	6:4:	4:2:4:4:	3:3:3:3:2:2:	Si[4x6]-6:C-4:	C[5]-4:O-2:C-4:C-4:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:O-2:	O(Si[4x6]N[5a,6,6]4O)(CC[5]CC)	C(C[5]C[5]2H)(OSi[4x6])(CCHH)(CH3)	Si[4x6](N[5a,6,6]C[5a,6]2)4(OC)2	O(Si[4x6]N[5a,6,6]4O)(CC[5]CC)	C(C[5]C[5]2H)(OSi[4x6])(CCHH)(CH3)	Si[4x6](N[5a,6,6]C[5a,6]2)4(OC)2{4|N<2>,8|C<3>}	148.1760	0.231	2	148.1760	0.053	2	148.1760	0.053	2	148.1760	0.053	2	142.1553	108.772	3	142.1553	108.772	3
893	490	856	0:SP3_SP2_SP3	O	C	N[6]	3:4:	2:1:1:1:	3:3:2:	N[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(N[6]C[6]2)(CH3)	C(ON[6])(H)3	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(OC)	O(N[6]C[6]2)(CH3)	C(ON[6])(H)3	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(OC){1|C<4>,3|C<3>}	110.4130	0.000	1	110.8577	0.259	3	110.8577	0.259	3	110.8577	0.259	3	110.5334	1.767	18	110.5334	1.767	18
893	490	856	0:SP3_SP2_SP3	O	C	N[6]	3:4:	2:1:1:1:	3:3:2:	N[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(N[6]C[6]2)(CH3)	C(ON[6])(H)3	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(OC)	O(N[6]C[6]2)(CH3)	C(ON[6])(H)3	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(OC){2|C<3>,2|H<1>}	111.0800	0.470	2	110.8577	0.259	3	110.8577	0.259	3	110.8577	0.259	3	110.5334	1.767	18	110.5334	1.767	18
893	490	856	0:SP3_SP2_SP3	O	C	N[6]	3:4:	2:1:1:1:	3:4:2:	N[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-4:O-2:	O(N[6]C[6]2)(CH3)	C(ON[6])(H)3	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(OC)	O(N[6]C[6]2)(CH3)	C(ON[6])(H)3	N[6](C[6]C[6,6a]O)(C[6]C[6]CH)(OC){1|C<4>,3|C<3>}	109.7860	0.000	1	109.7860	0.000	1	109.5152	0.073	4	109.5152	0.073	4	110.5334	1.767	18	110.5334	1.767	18
893	490	856	0:SP3_SP2_SP3	O	C	N[6]	3:4:	2:1:1:1:	3:4:2:	N[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-4:O-2:	O(N[6]C[6]2)(CH3)	C(ON[6])(H)3	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(OC)	O(N[6]C[6]2)(CH3)	C(ON[6])(H)3	N[6](C[6]C[6,6a]O)(C[6]C[6]HH)(OC){1|C<4>,1|H<1>,2|C<3>}	109.3200	0.000	1	109.3200	0.000	1	109.5152	0.073	4	109.5152	0.073	4	110.5334	1.767	18	110.5334	1.767	18
893	490	856	0:SP3_SP2_SP3	O	C	N[6]	3:4:	2:1:1:1:	3:4:2:	N[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-4:O-2:	O(N[6]C[6]2)(CH3)	C(ON[6])(H)3	N[6](C[6]C[6,6a]O)(C[6]C[6]HO)(OC)	O(N[6]C[6]2)(CH3)	C(ON[6])(H)3	N[6](C[6]C[6,6a]O)(C[6]C[6]HO)(OC){1|C<4>,3|C<3>}	109.7060	0.000	1	109.7060	0.000	1	109.5152	0.073	4	109.5152	0.073	4	110.5334	1.767	18	110.5334	1.767	18
893	490	856	0:SP3_SP2_SP3	O	C	N[6]	3:4:	2:1:1:1:	3:4:2:	N[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-4:O-2:	O(N[6]C[6]2)(CH3)	C(ON[6])(H)3	N[6](C[6]N[5a,6]O)(C[6]C[6]HH)(OC)	O(N[6]C[6]2)(CH3)	C(ON[6])(H)3	N[6](C[6]N[5a,6]O)(C[6]C[6]HH)(OC){1|H<1>,3|C<3>}	109.2490	0.000	1	109.2490	0.000	1	109.5152	0.073	4	109.5152	0.073	4	110.5334	1.767	18	110.5334	1.767	18
893	490	856	0:SP3_SP2_SP3	O	C	N[6]	3:4:	2:4:4:4:	4:3:2:	N[6]-3:C-4:	O-2:C-4:C-4:C-4:	C[6]-4:C[6]-3:O-2:	O(N[6]C[6]2)(CC3)	C(ON[6])(CH3)3	N[6](C[6]C[3,6]HH)(C[6]C[6]O)(OC)	O(N[6]C[6]2)(CC3)	C(ON[6])(CH3)3	N[6](C[6]C[3,6]HH)(C[6]C[6]O)(OC){2|H<1>,3|C<4>}	112.5510	0.000	1	112.5510	0.000	1	112.5510	0.000	1	112.5510	0.000	1	110.5334	1.767	18	110.5334	1.767	18
893	490	856	0:SP3_SP2_SP3	O	C	N[6]	3:4:	3:2:1:1:	3:3:2:	N[6]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(N[6]C[6]2)(CC[6a]HH)	C(C[6a]C[6a]2)(ON[6])(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(OC)	O(N[6]C[6]2)(CC[6a]HH)	C(C[6a]C[6a]2)(ON[6])(H)2	N[6](C[6]C[6,6a]O)(C[6]C[6]O)(OC){2|C<3>,2|H<1>}	109.9640	0.000	1	109.9640	0.000	1	111.1887	3.696	4	111.1887	3.696	4	110.5334	1.767	18	110.5334	1.767	18
893	490	856	0:SP3_SP2_SP3	O	C	N[6]	3:4:	3:2:1:1:	3:3:2:	N[6]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(N[6]C[6]2)(CC[6a]HH)	C(C[6a]C[6a]2)(ON[6])(H)2	N[6](C[6]C[6]N)(C[6]N[6]H)(OC)	O(N[6]C[6]2)(CC[6a]HH)	C(C[6a]C[6a]2)(ON[6])(H)2	N[6](C[6]C[6]N)(C[6]N[6]H)(OC){1|C<3>,1|N<3>}	109.4870	0.000	1	109.4870	0.000	1	111.1887	3.696	4	111.1887	3.696	4	110.5334	1.767	18	110.5334	1.767	18
893	490	856	0:SP3_SP2_SP3	O	C	N[6]	3:4:	3:2:1:1:	3:3:2:	N[6]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6]-3:C[6]-3:O-2:	O(N[6]C[6]2)(CC[6a]HH)	C(C[6a]C[6a]2)(ON[6])(H)2	N[6](C[6]C[6]O)2(OC)	O(N[6]C[6]2)(CC[6a]HH)	C(C[6a]C[6a]2)(ON[6])(H)2	N[6](C[6]C[6]O)2(OC){1|C<4>,1|N<3>,3|H<1>}	112.6520	1.553	2	112.6520	2.411	2	111.1887	3.696	4	111.1887	3.696	4	110.5334	1.767	18	110.5334	1.767	18
893	490	856	0:SP3_SP2_SP3	O	C	N[6]	3:4:	3:2:1:1:	4:3:2:	N[6]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[5,6]-4:C[6]-3:O-2:	O(N[6]C[5,6]C[6])(CC[6a]HH)	C(C[6a]C[6a]2)(ON[6])(H)2	N[6](C[5,6]C[5,6a]C[5]N[6])(C[6]N[6]O)(OC)	O(N[6]C[5,6]C[6])(CC[6a]HH)	C(C[6a]C[6a]2)(ON[6])(H)2	N[6](C[5,6]C[5,6a]C[5]N[6])(C[6]N[6]O)(OC){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	111.2260	0.000	1	111.2260	0.000	1	111.2260	0.000	1	110.2768	1.513	6	110.5334	1.767	18	110.5334	1.767	18
893	490	856	0:SP3_SP2_SP3	O	C	N[6]	3:4:	3:2:1:1:	4:3:2:	N[6]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6,6]-4:C[6]-3:O-2:	O(N[6]C[6,6]C[6])(CC[6a]HH)	C(C[6a]C[6a]2)(ON[6])(H)2	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(OC)	O(N[6]C[6,6]C[6])(CC[6a]HH)	C(C[6a]C[6a]2)(ON[6])(H)2	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(OC){1|O<2>,2|C<4>,3|C<3>}	109.7850	0.000	1	109.7850	0.000	1	109.7850	0.000	1	110.2768	1.513	6	110.5334	1.767	18	110.5334	1.767	18
893	490	856	0:SP3_SP2_SP3	O	C	N[6]	3:4:	3:2:1:1:	4:3:2:	N[6]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(N[6]C[6]2)(CC[6a]HH)	C(C[6a]C[6a]2)(ON[6])(H)2	N[6](C[6]C[5a,6]CH)(C[6]C[6]O)(OC)	O(N[6]C[6]2)(CC[6a]HH)	C(C[6a]C[6a]2)(ON[6])(H)2	N[6](C[6]C[5a,6]CH)(C[6]C[6]O)(OC){1|C<3>,1|N<3>,2|C<4>}	111.7700	0.000	1	111.7700	0.000	1	110.1625	2.123	4	110.2768	1.513	6	110.5334	1.767	18	110.5334	1.767	18
893	490	856	0:SP3_SP2_SP3	O	C	N[6]	3:4:	3:2:1:1:	4:3:2:	N[6]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(N[6]C[6]2)(CC[6a]HH)	C(C[6a]C[6a]2)(ON[6])(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC)	O(N[6]C[6]2)(CC[6a]HH)	C(C[6a]C[6a]2)(ON[6])(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	110.3640	0.000	1	109.6267	1.462	3	110.1625	2.123	4	110.2768	1.513	6	110.5334	1.767	18	110.5334	1.767	18
893	490	856	0:SP3_SP2_SP3	O	C	N[6]	3:4:	3:2:1:1:	4:3:2:	N[6]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(N[6]C[6]2)(CC[6a]HH)	C(C[6a]C[6a]2)(ON[6])(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC)	O(N[6]C[6]2)(CC[6a]HH)	C(C[6a]C[6a]2)(ON[6])(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	110.2850	0.000	1	109.6267	1.462	3	110.1625	2.123	4	110.2768	1.513	6	110.5334	1.767	18	110.5334	1.767	18
893	490	856	0:SP3_SP2_SP3	O	C	N[6]	3:4:	3:2:1:1:	4:3:2:	N[6]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(N[6]C[6]2)(CC[6a]HH)	C(C[6a]C[6a]2)(ON[6])(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC)	O(N[6]C[6]2)(CC[6a]HH)	C(C[6a]C[6a]2)(ON[6])(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC){1|C<4>,1|O<2>,3|H<1>}	108.2310	0.000	1	109.6267	1.462	3	110.1625	2.123	4	110.2768	1.513	6	110.5334	1.767	18	110.5334	1.767	18
893	490	856	0:SP3_SP3_SP3	O	C	N[6]	3:4:	2:1:1:1:	3:4:2:	N[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:C[6]-4:O-2:	O(N[6]C[6]2)(CH3)	C(ON[6])(H)3	N[6](C[6]C[6,6a]O)(C[6]C[6]HO)(OC)	O(N[6]C[6]2)(CH3)	C(ON[6])(H)3	N[6](C[6]C[6,6a]O)(C[6]C[6]HO)(OC){1|C<4>,3|C<3>}	109.4860	0.000	1	109.4860	0.000	1	109.4860	0.000	1	109.4860	0.000	1	110.4763	3.325	43	110.4763	3.325	43
893	490	856	0:SP3_SP3_SP3	O	C	N[6]	3:4:	2:1:1:1:	4:3:2:	N[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-3:O-2:	O(N[6]C[5,6,6]C[6])(CH3)	C(ON[6])(H)3	N[6](C[5,6,6]C[5,6,6a]C[5,6]C[6])(C[6]C[6]O)(OC)	O(N[6]C[5,6,6]C[6])(CH3)	C(ON[6])(H)3	N[6](C[5,6,6]C[5,6,6a]C[5,6]C[6])(C[6]C[6]O)(OC){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	108.9240	0.000	1	108.9240	0.000	1	108.9240	0.000	1	109.0322	0.329	6	110.4763	3.325	43	110.4763	3.325	43
893	490	856	0:SP3_SP3_SP3	O	C	N[6]	3:4:	2:1:1:1:	4:3:2:	N[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:O-2:	O(N[6]C[5,6]C[6])(CH3)	C(ON[6])(H)3	N[6](C[5,6]C[5,6,6a]C[5]C)(C[6]C[6]O)(OC)	O(N[6]C[5,6]C[6])(CH3)	C(ON[6])(H)3	N[6](C[5,6]C[5,6,6a]C[5]C)(C[6]C[6]O)(OC){1|O<2>,2|C<3>,4|H<1>}	108.4385	0.286	2	108.4385	0.082	2	108.8487	0.546	3	109.0322	0.329	6	110.4763	3.325	43	110.4763	3.325	43
893	490	856	0:SP3_SP3_SP3	O	C	N[6]	3:4:	2:1:1:1:	4:3:2:	N[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:O-2:	O(N[6]C[5,6]C[6])(CH3)	C(ON[6])(H)3	N[6](C[5,6]C[5,6a]C[5,6]C)(C[6]N[5a,6]O)(OC)	O(N[6]C[5,6]C[6])(CH3)	C(ON[6])(H)3	N[6](C[5,6]C[5,6a]C[5,6]C)(C[6]N[5a,6]O)(OC){1|H<1>,1|N<3>,4|C<3>}	109.6690	0.000	1	109.6690	0.000	1	108.8487	0.546	3	109.0322	0.329	6	110.4763	3.325	43	110.4763	3.325	43
893	490	856	0:SP3_SP3_SP3	O	C	N[6]	3:4:	2:1:1:1:	4:3:2:	N[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:O-2:	O(N[6]C[6,6]C[6])(CH3)	C(ON[6])(H)3	N[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]O)(OC)	O(N[6]C[6,6]C[6])(CH3)	C(ON[6])(H)3	N[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]O)(OC){1|C<4>,2|H<1>,3|C<3>}	109.0260	0.000	1	109.0260	0.000	1	109.0260	0.000	1	109.0322	0.329	6	110.4763	3.325	43	110.4763	3.325	43
893	490	856	0:SP3_SP3_SP3	O	C	N[6]	3:4:	2:1:1:1:	4:3:2:	N[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(N[6]C[6]2)(CH3)	C(ON[6])(H)3	N[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]O)(OC)	O(N[6]C[6]2)(CH3)	C(ON[6])(H)3	N[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]O)(OC){1|O<1>,4|C<3>}	109.6970	0.000	1	109.6970	0.000	1	109.6970	0.000	1	109.0322	0.329	6	110.4763	3.325	43	110.4763	3.325	43
893	490	856	0:SP3_SP3_SP3	O	C	N[6]	3:4:	2:1:1:1:	4:4:2:	N[6]-3:C-4:	O-2:H-1:H-1:H-1:	C[6,6]-4:C[6]-4:O-2:	O(N[6]C[6,6]C[6])(CH3)	C(ON[6])(H)3	N[6](C[6,6]C[5a,6,6]C[6]H)(C[6]C[6]CC)(OC)	O(N[6]C[6,6]C[6])(CH3)	C(ON[6])(H)3	N[6](C[6,6]C[5a,6,6]C[6]H)(C[6]C[6]CC)(OC){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	108.6610	0.000	1	108.6610	0.000	1	108.6610	0.000	1	108.6610	0.000	1	110.4763	3.325	43	110.4763	3.325	43
893	490	856	0:SP3_SP3_SP3	O	C	N[6]	3:4:	2:3:1:1:	4:4:2:	N[6]-3:C-4:	O-2:C-3:H-1:H-1:	C[6]-4:C[6]-4:O-2:	O(N[6]C[6]2)(CCHH)	C(ON[6])(CCN)(H)2	N[6](C[6]C[6]CC)2(OC)	O(N[6]C[6]2)(CCHH)	C(ON[6])(CCN)(H)2	N[6](C[6]C[6]CC)2(OC){1|C<4>,4|H<1>}	109.6280	1.878	2	109.6280	3.527	2	109.6280	3.527	2	109.6280	3.527	2	110.4763	3.325	43	110.4763	3.325	43
893	490	856	0:SP3_SP3_SP3	O	C	N[6]	3:4:	2:4:1:1:	4:3:2:	N[6]-3:C-4:	O-2:C-4:H-1:H-1:	C[5,6]-4:C[6]-3:O-2:	O(N[6]C[5,6]C[6])(CCHH)	C(ON[6])(CCHH)(H)2	N[6](C[5,6]C[3,5]O[5,6]C)(C[6]C[6]O)(OC)	O(N[6]C[5,6]C[6])(CCHH)	C(ON[6])(CCHH)(H)2	N[6](C[5,6]C[3,5]O[5,6]C)(C[6]C[6]O)(OC){1|H<1>,1|O<2>,4|C<4>}	109.5870	0.000	1	109.5870	0.000	1	109.7065	0.029	2	109.7065	0.029	2	110.4763	3.325	43	110.4763	3.325	43
893	490	856	0:SP3_SP3_SP3	O	C	N[6]	3:4:	2:4:1:1:	4:3:2:	N[6]-3:C-4:	O-2:C-4:H-1:H-1:	C[5,6]-4:C[6]-3:O-2:	O(N[6]C[5,6]C[6])(CCHH)	C(ON[6])(CCHH)(H)2	N[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(OC)	O(N[6]C[5,6]C[6])(CCHH)	C(ON[6])(CCHH)(H)2	N[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(OC){1|H<1>,1|O<2>,4|C<4>}	109.8260	0.000	1	109.8260	0.000	1	109.7065	0.029	2	109.7065	0.029	2	110.4763	3.325	43	110.4763	3.325	43
893	490	856	0:SP3_SP3_SP3	O	C	N[6]	3:4:	2:4:2:1:	4:4:2:	N[6]-3:C-4:	O-2:C-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:	O(N[6]C[6]2)(CCHO)	C(ON[6])(CCl3)(OH)(H)	N[6](C[6]C[6]HH)2(OC)	O(N[6]C[6]2)(CCHO)	C(ON[6])(CCl3)(OH)(H)	N[6](C[6]C[6]HH)2(OC){1|C<4>,4|H<1>}	110.4715	0.060	2	110.4715	0.004	2	110.4715	0.004	2	110.4715	0.004	2	110.4763	3.325	43	110.4763	3.325	43
893	490	856	0:SP3_SP3_SP3	O	C	N[6]	3:4:	2:4:4:1:	4:4:2:	N[6]-3:C-4:	O-2:C-4:C-4:H-1:	C[6]-4:C[6]-4:O-2:	O(N[6]C[6]2)(CCCH)	C(ON[6])(CHHO)2(H)	N[6](C[6]C[6]CC)2(OC)	O(N[6]C[6]2)(CCCH)	C(ON[6])(CHHO)2(H)	N[6](C[6]C[6]CC)2(OC){1|C<4>,4|H<1>}	112.6400	0.000	1	112.6400	0.000	1	112.6400	0.000	1	112.6400	0.000	1	110.4763	3.325	43	110.4763	3.325	43
893	490	856	0:SP3_SP3_SP3	O	C	N[6]	3:4:	3:2:1:1:	4:3:2:	N[6]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(N[6]C[6]2)(CC[6a]HH)	C(C[6a]C[6a]2)(ON[6])(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC)	O(N[6]C[6]2)(CC[6a]HH)	C(C[6a]C[6a]2)(ON[6])(H)2	N[6](C[6]C[6]CH)(C[6]C[6]O)(OC){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	110.5490	0.000	1	110.5490	0.000	1	109.9053	0.483	3	109.9053	0.483	3	110.4763	3.325	43	110.4763	3.325	43
893	490	856	0:SP3_SP3_SP3	O	C	N[6]	3:4:	3:2:1:1:	4:3:2:	N[6]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(N[6]C[6]2)(CC[6a]HH)	C(C[6a]C[6a]2)(ON[6])(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(OC)	O(N[6]C[6]2)(CC[6a]HH)	C(C[6a]C[6a]2)(ON[6])(H)2	N[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(OC){1|O<2>,2|C<4>,3|C<3>}	109.1680	0.000	1	109.1680	0.000	1	109.9053	0.483	3	109.9053	0.483	3	110.4763	3.325	43	110.4763	3.325	43
893	490	856	0:SP3_SP3_SP3	O	C	N[6]	3:4:	3:2:1:1:	4:3:2:	N[6]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6]-4:C[6]-3:O-2:	O(N[6]C[6]2)(CC[6a]HH)	C(C[6a]C[6a]2)(ON[6])(H)2	N[6](C[6]N[6]CH)(C[6]N[6]O)(OC)	O(N[6]C[6]2)(CC[6a]HH)	C(C[6a]C[6a]2)(ON[6])(H)2	N[6](C[6]N[6]CH)(C[6]N[6]O)(OC){1|C<4>,1|H<1>,1|O<2>}	109.9990	0.000	1	109.9990	0.000	1	109.9053	0.483	3	109.9053	0.483	3	110.4763	3.325	43	110.4763	3.325	43
893	490	856	0:SP3_SP3_SP3	O	C	N[6]	3:4:	3:2:1:1:	4:4:2:	N[6]-3:C-4:	C[5a]-3:O-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:	O(N[6]C[6]2)(CC[5a]HH)	C(C[5a]N[5a]2)(ON[6])(H)2	N[6](C[6]C[6]CC)2(OC)	O(N[6]C[6]2)(CC[5a]HH)	C(C[5a]N[5a]2)(ON[6])(H)2	N[6](C[6]C[6]CC)2(OC){1|C<4>,4|H<1>}	109.4435	0.346	2	109.4435	0.120	2	109.4435	0.120	2	108.4248	1.644	5	110.4763	3.325	43	110.4763	3.325	43
893	490	856	0:SP3_SP3_SP3	O	C	N[6]	3:4:	3:2:1:1:	4:4:2:	N[6]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:	O(N[6]C[6]2)(CC[6a]HH)	C(C[6a]C[6a]2)(ON[6])(H)2	N[6](C[6]C[6]CC)2(OC)	O(N[6]C[6]2)(CC[6a]HH)	C(C[6a]C[6a]2)(ON[6])(H)2	N[6](C[6]C[6]CC)2(OC){1|C<4>,4|H<1>}	108.8450	0.000	1	108.8450	0.000	1	107.7457	1.499	3	108.4248	1.644	5	110.4763	3.325	43	110.4763	3.325	43
893	490	856	0:SP3_SP3_SP3	O	C	N[6]	3:4:	3:2:1:1:	4:4:2:	N[6]-3:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:	O(N[6]C[6]2)(CC[6a]HH)	C(C[6a]C[6a]2)(ON[6])(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(OC)	O(N[6]C[6]2)(CC[6a]HH)	C(C[6a]C[6a]2)(ON[6])(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(OC){1|C<3>,1|O<2>,2|H<1>}	107.1960	1.089	2	107.1960	1.186	2	107.7457	1.499	3	108.4248	1.644	5	110.4763	3.325	43	110.4763	3.325	43
893	490	856	0:SP3_SP3_SP3	O	C	N[6]	3:4:	3:2:2:1:	4:4:2:	N[6]-3:C-4:	C[6a]-3:O-2:O-2:H-1:	C[6]-4:C[6]-4:O-2:	O(N[6]C[6]2)(CC[6a]HO)	C(C[6a]C[6a]2)(ON[6])(OC)(H)	N[6](C[6]C[6]CC)2(OC)	O(N[6]C[6]2)(CC[6a]HO)	C(C[6a]C[6a]2)(ON[6])(OC)(H)	N[6](C[6]C[6]CC)2(OC){1|C<4>,4|H<1>}	109.9290	0.000	1	109.9290	0.000	1	109.9290	0.000	1	109.9290	0.000	1	110.4763	3.325	43	110.4763	3.325	43
893	490	856	0:SP3_SP3_SP3	O	C	N[6]	3:4:	3:2:3:1:	4:4:2:	N[6]-3:C-4:	C[6a]-3:O-2:C-3:H-1:	C[6]-4:C[6]-4:O-2:	O(N[6]C[6]2)(CC[6a]CH)	C(C[6a]C[6a]2)(ON[6])(COO)(H)	N[6](C[6]C[6]CC)2(OC)	O(N[6]C[6]2)(CC[6a]CH)	C(C[6a]C[6a]2)(ON[6])(COO)(H)	N[6](C[6]C[6]CC)2(OC){1|C<4>,4|H<1>}	111.1310	0.000	1	111.1310	0.000	1	111.1310	0.000	1	111.1310	0.000	1	110.4763	3.325	43	110.4763	3.325	43
893	490	856	0:SP3_SP3_SP3	O	C	N[6]	3:4:	3:2:4:1:	4:4:2:	N[6]-3:C-4:	C[6a]-3:O-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:	O(N[6]C[6]2)(CC[6a]CH)	C(C[6a]C[6a]2)(ON[6])(CCHN)(H)	N[6](C[6]C[6]CC)2(OC)	O(N[6]C[6]2)(CC[6a]CH)	C(C[6a]C[6a]2)(ON[6])(CCHN)(H)	N[6](C[6]C[6]CC)2(OC){1|C<4>,4|H<1>}	112.4580	2.102	2	112.4580	4.416	2	112.3808	1.112	5	112.3808	1.112	5	110.4763	3.325	43	110.4763	3.325	43
893	490	856	0:SP3_SP3_SP3	O	C	N[6]	3:4:	3:2:4:1:	4:4:2:	N[6]-3:C-4:	C[6a]-3:O-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:	O(N[6]C[6]2)(CC[6a]CH)	C(C[6a]C[6a]2)(ON[6])(CHHO)(H)	N[6](C[6]C[6]CC)2(OC)	O(N[6]C[6]2)(CC[6a]CH)	C(C[6a]C[6a]2)(ON[6])(CHHO)(H)	N[6](C[6]C[6]CC)2(OC){1|C<4>,4|H<1>}	112.3293	0.072	3	112.3293	0.005	3	112.3808	1.112	5	112.3808	1.112	5	110.4763	3.325	43	110.4763	3.325	43
893	490	856	0:SP3_SP3_SP3	O	C	N[6]	3:4:	3:2:4:4:	4:4:2:	N[6]-3:C-4:	C[6a]-3:O-2:C-4:C-4:	C[6]-4:C[6]-4:O-2:	O(N[6]C[6]2)(CC[6a]CC)	C(C[6a]C[6a]2)(ON[6])(CF3)(CH3)	N[6](C[6]C[6]CC)2(OC)	O(N[6]C[6]2)(CC[6a]CC)	C(C[6a]C[6a]2)(ON[6])(CF3)(CH3)	N[6](C[6]C[6]CC)2(OC){1|C<4>,4|H<1>}	116.9750	0.000	1	116.9750	0.000	1	116.9750	0.000	1	116.9750	0.000	1	110.4763	3.325	43	110.4763	3.325	43
893	490	856	0:SP3_SP3_SP3	O	C	N[6]	3:4:	3:3:2:1:	4:4:2:	N[6]-3:C-4:	C-3:C-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:	O(N[6]C[6]2)(CCCH)	C(CC[6a]O)2(ON[6])(H)	N[6](C[6]C[6]CC)2(OC)	O(N[6]C[6]2)(CCCH)	C(CC[6a]O)2(ON[6])(H)	N[6](C[6]C[6]CC)2(OC){1|C<4>,4|H<1>}	111.1600	0.000	1	111.1600	0.000	1	111.1600	0.000	1	111.5510	0.306	2	110.4763	3.325	43	110.4763	3.325	43
893	490	856	0:SP3_SP3_SP3	O	C	N[6]	3:4:	3:3:2:1:	4:4:2:	N[6]-3:C-4:	C[6a]-3:N-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:	O(N[6]C[6]2)(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]C)(ON[6])(H)	N[6](C[6]C[6]CC)2(OC)	O(N[6]C[6]2)(CC[6a]HN)	C(C[6a]C[6a]2)(NC[6a]C)(ON[6])(H)	N[6](C[6]C[6]CC)2(OC){1|C<4>,4|H<1>}	111.9420	0.000	1	111.9420	0.000	1	111.9420	0.000	1	111.5510	0.306	2	110.4763	3.325	43	110.4763	3.325	43
893	490	856	0:SP3_SP3_SP3	O	C	N[6]	3:4:	3:4:2:1:	4:4:2:	N[6]-3:C-4:	C[6a]-3:C-4:O-2:H-1:	C[6]-4:C[6]-4:O-2:	O(N[6]C[6]2)(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HN)(ON[6])(H)	N[6](C[6]C[6]CC)2(OC)	O(N[6]C[6]2)(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]HN)(ON[6])(H)	N[6](C[6]C[6]CC)2(OC){1|C<4>,4|H<1>}	110.9140	0.000	1	110.9140	0.000	1	110.9140	0.000	1	110.9140	0.000	1	110.4763	3.325	43	110.4763	3.325	43
893	490	856	0:SP3_SP3_SP3	O	C	N[6]	3:4:	4:2:1:1:	4:4:2:	N[6]-3:C-4:	C-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:	O(N[6]C[6]2)(CCHH)	C(CC[5]HO)(ON[6])(H)2	N[6](C[6]C[6]CC)2(OC)	O(N[6]C[6]2)(CCHH)	C(CC[5]HO)(ON[6])(H)2	N[6](C[6]C[6]CC)2(OC){1|C<4>,4|H<1>}	110.5200	0.000	1	110.5200	0.000	1	110.5200	0.000	1	110.4433	0.734	4	110.4763	3.325	43	110.4763	3.325	43
893	490	856	0:SP3_SP3_SP3	O	C	N[6]	3:4:	4:2:1:1:	4:4:2:	N[6]-3:C-4:	C[5]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:	O(N[6]C[6]2)(CC[5]HH)	C(C[5]C[5,5]C[5]H)(ON[6])(H)2	N[6](C[6]C[6]CC)2(OC)	O(N[6]C[6]2)(CC[5]HH)	C(C[5]C[5,5]C[5]H)(ON[6])(H)2	N[6](C[6]C[6]CC)2(OC){1|C<4>,4|H<1>}	110.6320	0.000	1	110.6320	0.000	1	110.4177	1.096	3	110.4433	0.734	4	110.4763	3.325	43	110.4763	3.325	43
893	490	856	0:SP3_SP3_SP3	O	C	N[6]	3:4:	4:2:1:1:	4:4:2:	N[6]-3:C-4:	C[5]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:	O(N[6]C[6]2)(CC[5]HH)	C(C[5]C[5]2H)(ON[6])(H)2	N[6](C[6]C[6]CC)2(OC)	O(N[6]C[6]2)(CC[5]HH)	C(C[5]C[5]2H)(ON[6])(H)2	N[6](C[6]C[6]CC)2(OC){1|C<4>,4|H<1>}	109.2800	0.000	1	109.2800	0.000	1	110.4177	1.096	3	110.4433	0.734	4	110.4763	3.325	43	110.4763	3.325	43
893	490	856	0:SP3_SP3_SP3	O	C	N[6]	3:4:	4:2:1:1:	4:4:2:	N[6]-3:C-4:	C[5]-4:O-2:H-1:H-1:	C[6]-4:C[6]-4:O-2:	O(N[6]C[6]2)(CC[5]HH)	C(C[5]C[5]N[5]H)(ON[6])(H)2	N[6](C[6]C[6]CC)2(OC)	O(N[6]C[6]2)(CC[5]HH)	C(C[5]C[5]N[5]H)(ON[6])(H)2	N[6](C[6]C[6]CC)2(OC){1|C<4>,4|H<1>}	111.3410	0.000	1	111.3410	0.000	1	110.4177	1.096	3	110.4433	0.734	4	110.4763	3.325	43	110.4763	3.325	43
893	490	856	0:SP3_SP3_SP3	O	C	N[6]	3:4:	4:2:3:1:	4:4:2:	N[6]-3:C-4:	C-4:O-2:C-3:H-1:	C[6]-4:C[6]-4:O-2:	O(N[6]C[6]2)(CCCH)	C(CC[5a]HH)(ON[6])(CHO)(H)	N[6](C[6]C[6]CC)2(OC)	O(N[6]C[6]2)(CCCH)	C(CC[5a]HH)(ON[6])(CHO)(H)	N[6](C[6]C[6]CC)2(OC){1|C<4>,4|H<1>}	110.4520	0.000	1	110.4520	0.000	1	110.4520	0.000	1	110.4520	0.000	1	110.4763	3.325	43	110.4763	3.325	43
893	490	856	0:SP3_SP3_SP3	O	C	N[6]	3:4:	4:2:4:1:	4:4:2:	N[6]-3:C-4:	C-4:O-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:	O(N[6]C[6]2)(CCCH)	C(CC[6a]HO)(ON[6])(CH3)(H)	N[6](C[6]C[6]CC)2(OC)	O(N[6]C[6]2)(CCCH)	C(CC[6a]HO)(ON[6])(CH3)(H)	N[6](C[6]C[6]CC)2(OC){1|C<4>,4|H<1>}	112.0010	0.000	1	112.0010	0.000	1	112.0010	0.000	1	112.4305	0.369	2	110.4763	3.325	43	110.4763	3.325	43
893	490	856	0:SP3_SP3_SP3	O	C	N[6]	3:4:	4:2:4:1:	4:4:2:	N[6]-3:C-4:	C[5]-4:O-2:C-4:H-1:	C[6]-4:C[6]-4:O-2:	O(N[6]C[6]2)(CC[5]CH)	C(C[5]C[5]N[5]H)(ON[6])(CHHO)(H)	N[6](C[6]C[6]CC)2(OC)	O(N[6]C[6]2)(CC[5]CH)	C(C[5]C[5]N[5]H)(ON[6])(CHHO)(H)	N[6](C[6]C[6]CC)2(OC){1|C<4>,4|H<1>}	112.8600	0.000	1	112.8600	0.000	1	112.8600	0.000	1	112.4305	0.369	2	110.4763	3.325	43	110.4763	3.325	43
893	490	856	0:SP3_SP3_SP3	O	C	N[6]	3:4:	4:3:2:1:	4:4:2:	N[6]-3:C-4:	C-4:C-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:	O(N[6]C[6]2)(CCCH)	C(CC[6a]HH)(CN[5]O)(ON[6])(H)	N[6](C[6]C[6]CC)2(OC)	O(N[6]C[6]2)(CCCH)	C(CC[6a]HH)(CN[5]O)(ON[6])(H)	N[6](C[6]C[6]CC)2(OC){1|C<4>,4|H<1>}	111.2820	0.000	1	111.2820	0.000	1	111.5050	0.099	2	111.5050	0.099	2	110.4763	3.325	43	110.4763	3.325	43
893	490	856	0:SP3_SP3_SP3	O	C	N[6]	3:4:	4:3:2:1:	4:4:2:	N[6]-3:C-4:	C-4:C-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:	O(N[6]C[6]2)(CCCH)	C(CN[6]HH)(CC[6a]O)(ON[6])(H)	N[6](C[6]C[6]CC)2(OC)	O(N[6]C[6]2)(CCCH)	C(CN[6]HH)(CC[6a]O)(ON[6])(H)	N[6](C[6]C[6]CC)2(OC){1|C<4>,4|H<1>}	111.7280	0.000	1	111.7280	0.000	1	111.5050	0.099	2	111.5050	0.099	2	110.4763	3.325	43	110.4763	3.325	43
893	490	857	0:SP2_SP2_SP3	O	C	Ge[4]	3:4:	2:4:4:4:	3:3:2:	Ge[4]-3:C-4:	O-2:C-4:C-4:C-4:	N[4]-3:N[4]-3:O-2:	O(Ge[4]N[4]2)(CC3)	C(OGe[4])(CH3)3	Ge[4](N[4]C[6a]P[4])(N[4]P[4]C)(OC)	O(Ge[4]N[4]2)(CC3)	C(OGe[4])(CH3)3	Ge[4](N[4]C[6a]P[4])(N[4]P[4]C)(OC){4|C<3>}	122.4180	0.000	1	122.4180	0.000	1	122.4180	0.000	1	122.4180	0.000	1	122.4180	0.000	1	122.4180	0.000	1
893	490	863	0:SP2_SP2_SP3	O	C	O	4:1:	2:2:1:1:	2:	C-4:O-1:	O-2:O-2:O-1:O-1:	O-2:	O(CO3)(O)	C(OO)2(O)2	O(OC)	O(CO3)(O)	C(OO)2(O)2	O(OC)	71.3272	0.000	1	71.3272	0.000	1	71.3272	0.000	1	71.3272	0.000	1	71.3272	0.000	1	71.3272	0.000	1
893	490	874	0:SP3_SP3_SP3	O	C	B[3x6]	4:4:	2:1:1:1:	3:3:3:2:	B[3x6]-4:C-4:	O-2:H-1:H-1:H-1:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	O(B[3x6]N[5a,6,6]3)(CH3)	C(OB[3x6])(H)3	B[3x6](N[5a,6,6]C[5a,6]2)3(OC)	O(B[3x6]N[5a,6,6]3)(CH3)	C(OB[3x6])(H)3	B[3x6](N[5a,6,6]C[5a,6]2)3(OC){9|C<3>}	117.9087	1.461	7	117.9087	2.134	7	117.9087	2.134	7	117.9087	2.134	7	118.0414	1.804	10	117.9174	1.760	56
893	490	874	0:SP3_SP3_SP3	O	C	B[3x6]	4:4:	2:4:1:1:	3:3:3:2:	B[3x6]-4:C-4:	O-2:C-4:H-1:H-1:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	O(B[3x6]N[5a,6,6]3)(CCHH)	C(OB[3x6])(CCHH)(H)2	B[3x6](N[5a,6,6]C[5a,6]2)3(OC)	O(B[3x6]N[5a,6,6]3)(CCHH)	C(OB[3x6])(CCHH)(H)2	B[3x6](N[5a,6,6]C[5a,6]2)3(OC){3|N<2>,6|C<3>}	119.4770	0.000	1	119.4770	0.000	1	119.4770	0.000	1	119.4770	0.000	1	118.0414	1.804	10	117.9174	1.760	56
893	490	874	0:SP3_SP3_SP3	O	C	B[3x6]	4:4:	3:2:1:1:	3:3:3:2:	B[3x6]-4:C-4:	C[6a]-3:O-2:H-1:H-1:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	O(B[3x6]N[5a,6,6]3)(CC[6a]HH)	C(C[6a]C[6a]2)(OB[3x6])(H)2	B[3x6](N[5a,6,6]C[5a,6]2)3(OC)	O(B[3x6]N[5a,6,6]3)(CC[6a]HH)	C(C[6a]C[6a]2)(OB[3x6])(H)2	B[3x6](N[5a,6,6]C[5a,6]2)3(OC){9|C<3>}	118.5380	0.000	1	118.5380	0.000	1	118.5380	0.000	1	118.5380	0.000	1	118.0414	1.804	10	117.9174	1.760	56
893	490	874	0:SP3_SP3_SP3	O	C	B[3x6]	4:4:	4:2:1:1:	3:3:3:2:	B[3x6]-4:C-4:	C[5]-4:O-2:H-1:H-1:	N[5a,6,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	O(B[3x6]N[5a,6,6]3)(CC[5]HH)	C(C[5]C[5]2Fe)(OB[3x6])(H)2	B[3x6](N[5a,6,6]C[5a,6]2)3(OC)	O(B[3x6]N[5a,6,6]3)(CC[5]HH)	C(C[5]C[5]2Fe)(OB[3x6])(H)2	B[3x6](N[5a,6,6]C[5a,6]2)3(OC){3|N<2>,6|C<3>}	117.0380	0.000	1	117.0380	0.000	1	117.0380	0.000	1	117.0380	0.000	1	118.0414	1.804	10	117.9174	1.760	56
893	490	874	0:SP3_SP3_SP3	O	C	B[6,6]	4:4:	2:1:1:1:	3:2:2:2:	B[6,6]-4:C-4:	O-2:H-1:H-1:H-1:	N[6,6]-3:O[6]-2:O[6]-2:O-2:	O(B[6,6]N[6,6]O[6]2)(CH3)	C(OB[6,6])(H)3	B[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6])(OC)	O(B[6,6]N[6,6]O[6]2)(CH3)	C(OB[6,6])(H)3	B[6,6](N[6,6]C[6]2)(O[6]C[6,6a])(O[6]C[6])(OC){1|C<4>,2|C<3>,5|H<1>}	114.9090	0.000	1	114.9090	0.000	1	114.9090	0.000	1	114.9090	0.000	1	116.1953	2.549	7	117.9174	1.760	56
893	490	874	0:SP3_SP3_SP3	O	C	B[6,6]	4:4:	2:1:1:1:	4:2:2:2:	B[6,6]-4:C-4:	O-2:H-1:H-1:H-1:	N[6,6]-4:O[6]-2:O[6]-2:O-2:	O(B[6,6]N[6,6]O[6]2)(CH3)	C(OB[6,6])(H)3	B[6,6](N[6,6]C[6]2C)(O[6]C[6,6a])2(OC)	O(B[6,6]N[6,6]O[6]2)(CH3)	C(OB[6,6])(H)3	B[6,6](N[6,6]C[6]2C)(O[6]C[6,6a])2(OC){4|C<3>,4|H<1>}	119.0990	0.000	1	119.0990	0.000	1	119.0990	0.000	1	119.0990	0.000	1	116.1953	2.549	7	117.9174	1.760	56
893	490	874	0:SP3_SP3_SP3	O	C	B[6,6]	4:4:	2:1:1:1:	4:3:3:2:	B[6,6]-4:C-4:	O-2:H-1:H-1:H-1:	N[6,6]-4:N[6]-3:N[6]-3:O-2:	O(B[6,6]N[6,6]N[6]2)(CH3)	C(OB[6,6])(H)3	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(OC)	O(B[6,6]N[6,6]N[6]2)(CH3)	C(OB[6,6])(H)3	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(OC){2|C<4>,8|H<1>}	116.0375	0.025	2	116.0375	0.001	2	116.0375	0.001	2	116.0375	0.001	2	116.1953	2.549	7	117.9174	1.760	56
893	490	874	0:SP3_SP3_SP3	O	C	B[6,6]	4:4:	2:3:1:1:	4:3:3:2:	B[6,6]-4:C-4:	O-2:C-3:H-1:H-1:	N[6,6]-4:N[6]-3:N[6]-3:O-2:	O(B[6,6]N[6,6]N[6]2)(CCHH)	C(OB[6,6])(CCH)(H)2	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(OC)	O(B[6,6]N[6,6]N[6]2)(CCHH)	C(OB[6,6])(CCH)(H)2	B[6,6](N[6,6]C[6]2H)(N[6]C[6]P)2(OC){2|C<4>,8|H<1>}	116.0270	0.000	1	116.0270	0.000	1	116.0270	0.000	1	116.0270	0.000	1	116.1953	2.549	7	117.9174	1.760	56
893	490	874	0:SP3_SP3_SP3	O	C	B[6,6]	4:4:	2:4:1:1:	4:4:2:2:	B[6,6]-4:C-4:	O-2:P-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:O-2:O-2:	O(B[6,6]C[6,6]2O)(CHHP)	C(OB[6,6])(PC3)(H)2	B[6,6](C[6,6]C[6]2H)2(OC)2	O(B[6,6]C[6,6]2O)(CHHP)	C(OB[6,6])(PC3)(H)2	B[6,6](C[6,6]C[6]2H)2(OC)2{2|C<4>,8|H<1>}	117.1260	0.000	1	117.1260	0.000	1	117.1260	0.000	1	117.1260	0.000	1	116.1953	2.549	7	117.9174	1.760	56
893	490	874	0:SP3_SP3_SP3	O	C	B[6,6]	4:4:	4:2:1:1:	4:4:2:2:	B[6,6]-4:C-4:	P-4:O-2:H-1:H-1:	C[6,6]-4:C[6,6]-4:O-2:O-2:	O(B[6,6]C[6,6]2O)(CHHP)	C(PC[6a]3)(OB[6,6])(H)2	B[6,6](C[6,6]C[6]2H)2(OC)2	O(B[6,6]C[6,6]2O)(CHHP)	C(PC[6a]3)(OB[6,6])(H)2	B[6,6](C[6,6]C[6]2H)2(OC)2{2|C<4>,8|H<1>}	114.1310	0.000	1	114.1310	0.000	1	114.1310	0.000	1	114.1310	0.000	1	116.1953	2.549	7	117.9174	1.760	56
893	490	874	0:SP3_SP3_SP3	O	C	B[6]	4:4:	2:1:1:1:	2:3:2:2:	B[6]-4:C-4:	O-2:H-1:H-1:H-1:	O[6]-2:N[6]-3:O-2:O-2:	O(B[6]N[6]O[6]O)(CH3)	C(OB[6])(H)3	B[6](O[6]C[6,6a])(N[6]C[6]C)(OC)2	O(B[6]N[6]O[6]O)(CH3)	C(OB[6])(H)3	B[6](O[6]C[6,6a])(N[6]C[6]C)(OC)2{1|H<1>,2|C<3>}	118.8905	1.558	2	118.8905	2.427	2	118.8905	2.427	2	118.8905	2.427	2	118.1947	1.088	39	117.9174	1.760	56
893	490	874	0:SP3_SP3_SP3	O	C	B[6]	4:4:	2:1:1:1:	3:2:2:2:	B[6]-4:C-4:	O-2:H-1:H-1:H-1:	N[6]-3:O[6]-2:O-2:O-2:	O(B[6]N[6]O[6]O)(CH3)	C(OB[6])(H)3	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(OC)2	O(B[6]N[6]O[6]O)(CH3)	C(OB[6])(H)3	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(OC)2{1|H<1>,4|C<3>}	117.3255	0.351	2	117.3255	0.124	2	117.3255	0.124	2	117.3255	0.124	2	118.1947	1.088	39	117.9174	1.760	56
893	490	874	0:SP3_SP3_SP3	O	C	B[6]	4:4:	2:1:1:1:	3:2:3:2:	B[6]-4:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:O[6]-2:N[6]-3:O-2:	O(B[6]C[6a]N[6]O[6])(CH3)	C(OB[6])(H)3	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OC)	O(B[6]C[6a]N[6]O[6])(CH3)	C(OB[6])(H)3	B[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(OC){3|H<1>,4|C<3>}	119.3170	0.000	1	119.3170	0.000	1	119.3170	0.000	1	119.3170	0.000	1	118.1947	1.088	39	117.9174	1.760	56
893	490	874	0:SP3_SP3_SP3	O	C	B[6]	4:4:	2:1:1:1:	3:3:2:2:	B[6]-4:C-4:	O-2:H-1:H-1:H-1:	N[5a,6]-3:N[5a,6]-3:O-2:O-2:	O(B[6]N[5a,6]2O)(CH3)	C(OB[6])(H)3	B[6](N[5a,6]C[5a,6]C[5a])2(OC)2	O(B[6]N[5a,6]2O)(CH3)	C(OB[6])(H)3	B[6](N[5a,6]C[5a,6]C[5a])2(OC)2{2|C<4>,5|C<3>}	117.6650	0.642	9	117.6650	0.412	9	117.6650	0.412	9	117.6650	0.412	9	118.1947	1.088	39	117.9174	1.760	56
893	490	874	0:SP3_SP3_SP3	O	C	B[6]	4:4:	2:1:1:1:	3:3:3:2:	B[6]-4:C-4:	O-2:H-1:H-1:H-1:	N[5,6]-3:N[5,6]-3:C[6a]-3:O-2:	O(B[6]N[5,6]2C[6a])(CH3)	C(OB[6])(H)3	B[6](N[5,6]N[5,6]C[5])2(C[6a]C[6a]2)(OC)	O(B[6]N[5,6]2C[6a])(CH3)	C(OB[6])(H)3	B[6](N[5,6]N[5,6]C[5])2(C[6a]C[6a]2)(OC){1|B<4>,4|H<1>,6|C<3>}	118.7021	0.608	7	118.7021	0.370	7	118.7021	0.370	7	118.7021	0.370	7	118.1947	1.088	39	117.9174	1.760	56
893	490	874	0:SP3_SP3_SP3	O	C	B[6]	4:4:	2:2:1:1:	3:3:2:2:	B[6]-4:C-4:	O-2:C-2:H-1:H-1:	N[5a,6]-3:N[5a,6]-3:O-2:O-2:	O(B[6]N[5a,6]2O)(CCHH)	C(OB[6])(CC)(H)2	B[6](N[5a,6]C[5a,6]C[5a])2(OC)2	O(B[6]N[5a,6]2O)(CCHH)	C(OB[6])(CC)(H)2	B[6](N[5a,6]C[5a,6]C[5a])2(OC)2{2|C<4>,5|C<3>}	116.6102	1.049	4	116.6102	1.101	4	116.6102	1.101	4	116.6102	1.101	4	118.1947	1.088	39	117.9174	1.760	56
893	490	874	0:SP3_SP3_SP3	O	C	B[6]	4:4:	2:4:1:1:	3:3:2:2:	B[6]-4:C-4:	O-2:C-4:H-1:H-1:	N[5a,6]-3:N[5a,6]-3:O-2:O-2:	O(B[6]N[5a,6]2O)(CCHH)	C(OB[6])(CCFF)(H)2	B[6](N[5a,6]C[5a,6]C[5a])2(OC)2	O(B[6]N[5a,6]2O)(CCHH)	C(OB[6])(CCFF)(H)2	B[6](N[5a,6]C[5a,6]C[5a])2(OC)2{2|C<4>,5|C<3>}	118.6325	1.385	2	118.6325	1.919	2	118.3583	1.185	3	118.3583	1.185	3	118.1947	1.088	39	117.9174	1.760	56
893	490	874	0:SP3_SP3_SP3	O	C	B[6]	4:4:	2:4:1:1:	3:3:2:2:	B[6]-4:C-4:	O-2:C-4:H-1:H-1:	N[5a,6]-3:N[5a,6]-3:O-2:O-2:	O(B[6]N[5a,6]2O)(CCHH)	C(OB[6])(CH3)(H)2	B[6](N[5a,6]C[5a,6]C[5a])2(OC)2	O(B[6]N[5a,6]2O)(CCHH)	C(OB[6])(CH3)(H)2	B[6](N[5a,6]C[5a,6]C[5a])2(OC)2{2|C<4>,5|C<3>}	117.8100	0.000	1	117.8100	0.000	1	118.3583	1.185	3	118.3583	1.185	3	118.1947	1.088	39	117.9174	1.760	56
893	490	874	0:SP3_SP3_SP3	O	C	B[6]	4:4:	2:4:1:1:	3:3:3:2:	B[6]-4:C-4:	O-2:C-4:H-1:H-1:	N[5a,6]-3:N[5a,6]-3:C[6a]-3:O-2:	O(B[6]N[5a,6]2C[6a])(CCHH)	C(OB[6])(CHHN)(H)2	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(OC)	O(B[6]N[5a,6]2C[6a])(CCHH)	C(OB[6])(CHHN)(H)2	B[6](N[5a,6]C[5a,6]C[5a])2(C[6a]C[6a]2)(OC){4|H<1>,7|C<3>}	118.2010	0.000	1	118.2010	0.000	1	118.2010	0.000	1	118.2010	0.000	1	118.1947	1.088	39	117.9174	1.760	56
893	490	874	0:SP3_SP3_SP3	O	C	B[6]	4:4:	2:4:1:1:	4:4:2:2:	B[6]-4:C-4:	O-2:C-4:H-1:H-1:	C[6]-4:N[6]-4:O-2:O-2:	O(B[6]C[6]N[6]O)(CCHH)	C(OB[6])(CCHH)(H)2	B[6](C[6]C[6]HH)(N[6]C[6]CH)(OC)2	O(B[6]C[6]N[6]O)(CCHH)	C(OB[6])(CCHH)(H)2	B[6](C[6]C[6]HH)(N[6]C[6]CH)(OC)2{1|C<4>,4|H<1>}	119.0717	1.077	4	119.0717	1.160	4	119.0717	1.160	4	119.0717	1.160	4	118.1947	1.088	39	117.9174	1.760	56
893	490	874	0:SP3_SP3_SP3	O	C	B[6]	4:4:	2:4:4:1:	3:3:2:2:	B[6]-4:C-4:	O-2:C-4:C-4:H-1:	N[5a,6]-3:N[5a,6]-3:O-2:O-2:	O(B[6]N[5a,6]2O)(CCCH)	C(OB[6])(CH3)2(H)	B[6](N[5a,6]C[5a,6]C[5a])2(OC)2	O(B[6]N[5a,6]2O)(CCCH)	C(OB[6])(CH3)2(H)	B[6](N[5a,6]C[5a,6]C[5a])2(OC)2{2|C<4>,5|C<3>}	119.1270	0.587	2	119.1270	0.344	2	119.1270	0.344	2	119.1270	0.344	2	118.1947	1.088	39	117.9174	1.760	56
893	490	874	0:SP3_SP3_SP3	O	C	B[6]	4:4:	3:2:1:1:	3:3:2:2:	B[6]-4:C-4:	C[5a]-3:O-2:H-1:H-1:	N[5a,6]-3:N[5a,6]-3:O-2:O-2:	O(B[6]N[5a,6]2O)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(OB[6])(H)2	B[6](N[5a,6]C[5a,6]C[5a])2(OC)2	O(B[6]N[5a,6]2O)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(OB[6])(H)2	B[6](N[5a,6]C[5a,6]C[5a])2(OC)2{2|C<4>,5|C<3>}	118.4215	0.439	4	118.4215	0.193	4	118.4215	0.193	4	118.4215	0.193	4	118.1947	1.088	39	117.9174	1.760	56
893	490	878	0:SP3_SP-NON_SP3	O	C	Ga[4]	4:4:	2:4:1:1:	3:3:2:2:	Ga[4]-4:C-4:	O-2:C-4:H-1:H-1:	O[4]-3:O[4]-3:O-2:O-2:	O(Ga[4]O[4]2O)(CCHH)	C(OGa[4])(CHHN)(H)2	Ga[4](O[4]Ga[3x4]C)2(OC)2	O(Ga[4]O[4]2O)(CCHH)	C(OGa[4])(CHHN)(H)2	Ga[4](O[4]Ga[3x4]C)2(OC)2{4|O<3>}	118.7417	0.424	3	118.7417	0.180	3	118.7417	0.180	3	118.7417	0.180	3	118.7417	0.180	3	118.7417	0.180	3
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	2:1:1:1:	3:3:2:2:	Si-4:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:O-2:	O(SiC[6a]2O)(CH3)	C(OSi)(H)3	Si(C[6a]C[6a]2)2(OC)2	O(SiC[6a]2O)(CH3)	C(OSi)(H)3	Si(C[6a]C[6a]2)2(OC)2	127.4913	3.040	3	127.4913	9.244	3	126.9055	7.536	4	126.9055	7.536	4	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	2:1:1:1:	3:3:2:2:	Si-4:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:O-2:	O(SiC[6a]2O)(CH3)	C(OSi)(H)3	Si(C[6a]C[6a]2)2(OSi)(OC)	O(SiC[6a]2O)(CH3)	C(OSi)(H)3	Si(C[6a]C[6a]2)2(OSi)(OC)	125.1480	0.000	1	125.1480	0.000	1	126.9055	7.536	4	126.9055	7.536	4	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	2:1:1:1:	3:3:3:2:	Si-4:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	O(SiC[6a]3)(CH3)	C(OSi)(H)3	Si(C[6a]C[6a]2)3(OC)	O(SiC[6a]3)(CH3)	C(OSi)(H)3	Si(C[6a]C[6a]2)3(OC)	130.5342	7.705	4	130.5342	59.374	4	130.5342	59.374	4	130.5342	59.374	4	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	2:1:1:1:	3:3:4:2:	Si-4:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	O(SiC[6a]2C)(CH3)	C(OSi)(H)3	Si(C[6a]C[6a]2)2(CMoCH)(OC)	O(SiC[6a]2C)(CH3)	C(OSi)(H)3	Si(C[6a]C[6a]2)2(CMoCH)(OC)	124.4540	0.000	1	124.4540	0.000	1	124.4540	0.000	1	123.7135	1.097	2	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	2:1:1:1:	3:3:4:2:	Si-4:C-4:	O-2:H-1:H-1:H-1:	N[5]-3:O-3:C-4:O-2:	O(SiN[5]CO)(CH3)	C(OSi)(H)3	Si(N[5]C[5]2)(OLiC)(CC3)(OC)	O(SiN[5]CO)(CH3)	C(OSi)(H)3	Si(N[5]C[5]2)(OLiC)(CC3)(OC)	122.9730	0.000	1	122.9730	0.000	1	122.9730	0.000	1	123.7135	1.097	2	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	2:1:1:1:	3:4:4:2:	Si-4:C-4:	O-2:H-1:H-1:H-1:	Nb[10x3]-3:C-4:C-4:O-2:	O(SiNb[10x3]CC)(CH3)	C(OSi)(H)3	Si(Nb[10x3]C[3,3,5]10SiH)(CH3)2(OC)	O(SiNb[10x3]CC)(CH3)	C(OSi)(H)3	Si(Nb[10x3]C[3,3,5]10SiH)(CH3)2(OC)	122.9035	0.575	2	122.9035	0.330	2	122.9035	0.330	2	122.9035	0.330	2	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	2:1:1:1:	4:2:2:2:	Si-4:C-4:	O-2:H-1:H-1:H-1:	C-4:O-2:O-2:O-2:	O(SiCOO)(CH3)	C(OSi)(H)3	Si(CCHH)(OC)3	O(SiCOO)(CH3)	C(OSi)(H)3	Si(CCHH)(OC)3	123.4703	1.818	7	123.4703	3.306	7	123.4703	3.306	7	123.3399	2.970	8	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	2:1:1:1:	4:2:2:2:	Si-4:C-4:	O-2:H-1:H-1:H-1:	Si-4:N-2:O-2:O-2:	O(SiSiNO)(CH3)	C(OSi)(H)3	Si(SiSi3)(NC[5])(OC)(OH)	O(SiSiNO)(CH3)	C(OSi)(H)3	Si(SiSi3)(NC[5])(OC)(OH)	122.4270	0.000	1	122.4270	0.000	1	122.4270	0.000	1	123.3399	2.970	8	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	2:1:1:1:	4:3:2:1:	Si-4:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:C[6a]-3:O-2:H-1:	O(SiC[6a]C[6]H)(CH3)	C(OSi)(H)3	Si(C[6]C[6,6a]2H)(C[6a]C[6a]2)(OC)(H)	O(SiC[6a]C[6]H)(CH3)	C(OSi)(H)3	Si(C[6]C[6,6a]2H)(C[6a]C[6a]2)(OC)(H)	120.2110	0.000	1	120.2110	0.000	1	120.2110	0.000	1	120.2110	0.000	1	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	2:1:1:1:	4:3:3:2:	Si-4:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	O(SiC[6a]2C[6])(CH3)	C(OSi)(H)3	Si(C[6]C[6]2Ru)(C[6a]C[6a]2)2(OC)	O(SiC[6a]2C[6])(CH3)	C(OSi)(H)3	Si(C[6]C[6]2Ru)(C[6a]C[6a]2)2(OC)	124.8910	0.000	1	124.8910	0.000	1	124.8910	0.000	1	124.8910	0.000	1	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	2:1:1:1:	4:3:4:2:	Si-4:C-4:	O-2:H-1:H-1:H-1:	C-4:O-3:C-4:O-2:	O(SiCCO)(CH3)	C(OSi)(H)3	Si(CSiZnH)(OLiC)(CH3)(OC)	O(SiCCO)(CH3)	C(OSi)(H)3	Si(CSiZnH)(OLiC)(CH3)(OC)	123.9000	0.000	1	123.9000	0.000	1	123.9000	0.000	1	123.2460	0.855	2	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	2:1:1:1:	4:3:4:2:	Si-4:C-4:	O-2:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C-4:O-2:	O(SiC[6a]C[5]C)(CH3)	C(OSi)(H)3	Si(C[5]C[5]2Fe)(C[6a]C[6a]2)(CH3)(OC)	O(SiC[6a]C[5]C)(CH3)	C(OSi)(H)3	Si(C[5]C[5]2Fe)(C[6a]C[6a]2)(CH3)(OC)	122.5920	0.000	1	122.5920	0.000	1	122.5920	0.000	1	123.2460	0.855	2	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	2:1:1:1:	4:4:2:2:	Si-4:C-4:	O-2:H-1:H-1:H-1:	Si[5]-4:Si-4:O-2:O-2:	O(SiSi[5]SiO)(CH3)	C(OSi)(H)3	Si(Si[5]C[5]2H)(SiSi[5]HH)(OC)2	O(SiSi[5]SiO)(CH3)	C(OSi)(H)3	Si(Si[5]C[5]2H)(SiSi[5]HH)(OC)2	126.4070	4.593	2	126.4070	21.099	2	126.4070	21.099	2	126.4070	21.099	2	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	2:1:1:1:	4:4:4:2:	Si-4:C-4:	O-2:H-1:H-1:H-1:	C-4:C-4:C-4:O-2:	O(SiC3)(CH3)	C(OSi)(H)3	Si(CCo2C)(CH3)2(OC)	O(SiC3)(CH3)	C(OSi)(H)3	Si(CCo2C)(CH3)2(OC)	121.9540	0.113	2	121.9540	0.013	2	121.9540	0.013	2	124.0245	4.017	6	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	2:1:1:1:	4:4:4:2:	Si-4:C-4:	O-2:H-1:H-1:H-1:	C-4:Si-4:Si-4:O-2:	O(SiSi2C)(CH3)	C(OSi)(H)3	Si(CC[3x6]HO)(SiSiCC)(SiC3)(OC)	O(SiSi2C)(CH3)	C(OSi)(H)3	Si(CC[3x6]HO)(SiSiCC)(SiC3)(OC)	124.6410	0.000	1	124.6410	0.000	1	124.6410	0.000	1	124.0245	4.017	6	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	2:1:1:1:	4:4:4:2:	Si-4:C-4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	O(SiC[5]CC)(CH3)	C(OSi)(H)3	Si(C[5]C[5]2Fe)(CH3)2(OC)	O(SiC[5]CC)(CH3)	C(OSi)(H)3	Si(C[5]C[5]2Fe)(CH3)2(OC)	127.3490	0.000	1	127.3490	0.000	1	125.8145	4.709	2	124.0245	4.017	6	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	2:1:1:1:	4:4:4:2:	Si-4:C-4:	O-2:H-1:H-1:H-1:	C[5]-4:C-4:C-4:O-2:	O(SiC[5]CC)(CH3)	C(OSi)(H)3	Si(C[5]C[5]2Ru)(CH3)2(OC)	O(SiC[5]CC)(CH3)	C(OSi)(H)3	Si(C[5]C[5]2Ru)(CH3)2(OC)	124.2800	0.000	1	124.2800	0.000	1	125.8145	4.709	2	124.0245	4.017	6	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	2:1:1:1:	4:4:4:2:	Si-4:C-4:	O-2:H-1:H-1:H-1:	Si-4:C-4:Si-4:O-2:	O(SiSi2C)(CH3)	C(OSi)(H)3	Si(SiSiCC)(CCHO)(SiC3)(OC)	O(SiSi2C)(CH3)	C(OSi)(H)3	Si(SiSiCC)(CCHO)(SiC3)(OC)	123.9690	0.000	1	123.9690	0.000	1	123.9690	0.000	1	124.0245	4.017	6	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	2:2:1:1:	3:3:3:2:	Si-4:C-4:	O-2:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	O(SiC[6a]3)(CHHO)	C(OSi)2(H)2	Si(C[6a]C[6a]2)3(OC)	O(SiC[6a]3)(CHHO)	C(OSi)2(H)2	Si(C[6a]C[6a]2)3(OC)	129.0925	2.155	2	129.0925	4.642	2	129.0925	4.642	2	129.0925	4.642	2	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	2:2:1:1:	4:4:4:2:	C-4:Si-4:	O-2:C-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CCHH)(SiC3)	C(OSi)(CC)(H)2	Si(CC3)(CH3)2(OC)	O(CCHH)(SiC3)	C(OSi)(CC)(H)2	Si(CC3)(CH3)2(OC)	127.0240	1.768	2	127.0240	3.125	2	127.0240	3.125	2	127.0240	3.125	2	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	3:2:1:1:	3:2:4:2:	Si-4:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:O-2:C-4:O-2:	O(SiC[6a]CO)(CC[6a]HH)	C(C[6a]C[6a]2)(OSi)(H)2	Si(C[6a]C[6a]2)(OC[5])(CC3)(OC)	O(SiC[6a]CO)(CC[6a]HH)	C(C[6a]C[6a]2)(OSi)(H)2	Si(C[6a]C[6a]2)(OC[5])(CC3)(OC)	135.5650	0.000	1	135.5650	0.000	1	135.5650	0.000	1	135.5650	0.000	1	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	3:2:1:1:	3:3:4:2:	Si-4:C-4:	C[5]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	O(SiC[6a]2C)(CC[5]HH)	C(C[5]C[5]O[5])(OSi)(H)2	Si(C[6a]C[6a]2)2(CC3)(OC)	O(SiC[6a]2C)(CC[5]HH)	C(C[5]C[5]O[5])(OSi)(H)2	Si(C[6a]C[6a]2)2(CC3)(OC)	123.0840	0.000	1	123.0840	0.000	1	123.0840	0.000	1	124.9344	15.241	9	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	3:2:1:1:	3:3:4:2:	Si-4:C-4:	C[6]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	O(SiC[6a]2C)(CC[6]HH)	C(C[6]C[5,6]C[6])(OSi)(H)2	Si(C[6a]C[6a]2)2(CC3)(OC)	O(SiC[6a]2C)(CC[6]HH)	C(C[6]C[5,6]C[6])(OSi)(H)2	Si(C[6a]C[6a]2)2(CC3)(OC)	134.3310	0.000	1	134.3310	0.000	1	127.2295	100.863	2	124.9344	15.241	9	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	3:2:1:1:	3:3:4:2:	Si-4:C-4:	C[6]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	O(SiC[6a]2C)(CC[6]HH)	C(C[6]C[6]2)(OSi)(H)2	Si(C[6a]C[6a]2)2(CC3)(OC)	O(SiC[6a]2C)(CC[6]HH)	C(C[6]C[6]2)(OSi)(H)2	Si(C[6a]C[6a]2)2(CC3)(OC)	120.1280	0.000	1	120.1280	0.000	1	127.2295	100.863	2	124.9344	15.241	9	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	3:2:1:1:	3:3:4:2:	Si-4:C-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	O(SiC[6a]2C)(CC[6a]HH)	C(C[6a]C[6a]2)(OSi)(H)2	Si(C[6a]C[6a]2)2(CC3)(OC)	O(SiC[6a]2C)(CC[6a]HH)	C(C[6a]C[6a]2)(OSi)(H)2	Si(C[6a]C[6a]2)2(CC3)(OC)	124.4778	1.083	6	124.4778	1.172	6	124.4778	1.172	6	124.9344	15.241	9	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	3:2:1:1:	4:4:2:2:	C-4:Si-4:	C[6]-3:O-2:H-1:H-1:	C-4:C-4:O-2:O-2:	O(CC[6]HH)(SiCCO)	C(C[6]C[6]2)(OSi)(H)2	Si(CC3)2(OC)2	O(CC[6]HH)(SiCCO)	C(C[6]C[6]2)(OSi)(H)2	Si(CC3)2(OC)2	133.4470	0.000	1	133.4470	0.000	1	133.4470	0.000	1	133.4470	0.000	1	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	3:2:1:1:	4:4:4:2:	C-4:Si-4:	C-3:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CCHH)(SiC3)	C(CCC)(OSi)(H)2	Si(CC3)(CH3)2(OC)	O(CCHH)(SiC3)	C(CCC)(OSi)(H)2	Si(CC3)(CH3)2(OC)	122.2295	0.098	2	122.2295	0.010	2	122.2295	0.010	2	124.9866	9.849	21	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	3:2:1:1:	4:4:4:2:	C-4:Si-4:	C[5a]-3:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CC[5a]HH)(SiC3)	C(C[5a]C[5a]2)(OSi)(H)2	Si(CC3)(CH3)2(OC)	O(CC[5a]HH)(SiC3)	C(C[5a]C[5a]2)(OSi)(H)2	Si(CC3)(CH3)2(OC)	125.1680	0.000	1	125.1680	0.000	1	125.8190	0.848	2	124.9866	9.849	21	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	3:2:1:1:	4:4:4:2:	C-4:Si-4:	C[5a]-3:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CC[5a]HH)(SiC3)	C(C[5a]C[5a]N[5a])(OSi)(H)2	Si(CC3)(CH3)2(OC)	O(CC[5a]HH)(SiC3)	C(C[5a]C[5a]N[5a])(OSi)(H)2	Si(CC3)(CH3)2(OC)	126.4700	0.000	1	126.4700	0.000	1	125.8190	0.848	2	124.9866	9.849	21	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	3:2:1:1:	4:4:4:2:	C-4:Si-4:	C[6]-3:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CC[6]HH)(SiC3)	C(C[6]C[5,6]C[6])(OSi)(H)2	Si(CC3)(CH3)2(OC)	O(CC[6]HH)(SiC3)	C(C[6]C[5,6]C[6])(OSi)(H)2	Si(CC3)(CH3)2(OC)	124.7760	0.000	1	124.7760	0.000	1	125.2035	0.366	2	124.9866	9.849	21	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	3:2:1:1:	4:4:4:2:	C-4:Si-4:	C[6]-3:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CC[6]HH)(SiC3)	C(C[6]C[6]2)(OSi)(H)2	Si(CC3)(CH3)2(OC)	O(CC[6]HH)(SiC3)	C(C[6]C[6]2)(OSi)(H)2	Si(CC3)(CH3)2(OC)	125.6310	0.000	1	125.6310	0.000	1	125.2035	0.366	2	124.9866	9.849	21	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	3:2:1:1:	4:4:4:2:	C-4:Si-4:	C[6a]-3:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CC[6a]HH)(SiC3)	C(C[6a]C[6a]2)(OSi)(H)2	Si(CC3)(CH3)2(OC)	O(CC[6a]HH)(SiC3)	C(C[6a]C[6a]2)(OSi)(H)2	Si(CC3)(CH3)2(OC)	124.3559	3.752	11	124.3559	14.080	11	124.3559	14.080	11	124.9866	9.849	21	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	3:2:1:1:	4:4:4:2:	C-4:Si-4:	N[5a]-3:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CN[5a]HH)(SiC3)	C(N[5a]C[5a,6a]C[5a])(OSi)(H)2	Si(CC3)(CH3)2(OC)	O(CN[5a]HH)(SiC3)	C(N[5a]C[5a,6a]C[5a])(OSi)(H)2	Si(CC3)(CH3)2(OC)	128.4360	2.025	2	128.4360	4.101	2	128.4360	4.101	2	124.9866	9.849	21	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	3:2:1:1:	4:4:4:2:	C-4:Si-4:	N[6a]-3:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CN[6a]HH)(SiC3)	C(N[6a]C[6a]2)(OSi)(H)2	Si(CC3)(CH3)2(OC)	O(CN[6a]HH)(SiC3)	C(N[6a]C[6a]2)(OSi)(H)2	Si(CC3)(CH3)2(OC)	126.7140	0.175	2	126.7140	0.031	2	126.7140	0.031	2	124.9866	9.849	21	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	3:3:2:1:	3:3:3:2:	C-4:Si-4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	O(CC[6a]CH)(SiC[6a]3)	C(C[6a]C[6a]2)(CCC)(OSi)(H)	Si(C[6a]C[6a]2)3(OC)	O(CC[6a]CH)(SiC[6a]3)	C(C[6a]C[6a]2)(CCC)(OSi)(H)	Si(C[6a]C[6a]2)3(OC)	125.0180	2.554	2	125.0180	6.523	2	125.0180	6.523	2	125.0180	6.523	2	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	3:3:2:1:	3:3:4:2:	Si-4:C-4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	O(SiC[6a]2C)(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]O)(OSi)(H)	Si(C[6a]C[6a]2)2(CC3)(OC)	O(SiC[6a]2C)(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]O)(OSi)(H)	Si(C[6a]C[6a]2)2(CC3)(OC)	123.8490	0.000	1	123.8490	0.000	1	123.8490	0.000	1	123.8490	0.000	1	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	3:3:2:1:	4:4:4:2:	C-4:Si-4:	C-3:C-3:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CCCH)(SiC3)	C(CCH)(CNO)(OSi)(H)	Si(CCCH)3(OC)	O(CCCH)(SiC3)	C(CCH)(CNO)(OSi)(H)	Si(CCCH)3(OC)	128.1980	0.000	1	128.1980	0.000	1	127.6413	0.235	3	126.7219	4.123	9	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	3:3:2:1:	4:4:4:2:	C-4:Si-4:	C-3:C-3:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CCCH)(SiC3)	C(CCH)(COO)(OSi)(H)	Si(CCCH)3(OC)	O(CCCH)(SiC3)	C(CCH)(COO)(OSi)(H)	Si(CCCH)3(OC)	127.3630	0.071	2	127.3630	0.005	2	127.6413	0.235	3	126.7219	4.123	9	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	3:3:2:1:	4:4:4:2:	C-4:Si-4:	C[6]-3:C-3:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CC[6]CH)(SiC3)	C(C[6]C[6]2)(CCH)(OSi)(H)	Si(CCCH)3(OC)	O(CC[6]CH)(SiC3)	C(C[6]C[6]2)(CCH)(OSi)(H)	Si(CCCH)3(OC)	128.1810	0.000	1	128.1810	0.000	1	128.1810	0.000	1	126.7219	4.123	9	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	3:3:2:1:	4:4:4:2:	C-4:Si-4:	C[6a]-3:B[5]-3:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CC[6a]B[5]H)(SiC3)	C(C[6a]C[6a]2)(B[5]N[5]2)(OSi)(H)	Si(CH3)3(OC)	O(CC[6a]B[5]H)(SiC3)	C(C[6a]C[6a]2)(B[5]N[5]2)(OSi)(H)	Si(CH3)3(OC)	124.9240	0.000	1	124.9240	0.000	1	124.9240	0.000	1	126.7219	4.123	9	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	3:3:2:1:	4:4:4:2:	C-4:Si-4:	C[6a]-3:C-3:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CC[6a]CH)(SiC3)	C(C[6a]C[6a]2)(CCC)(OSi)(H)	Si(CC3)(CH3)2(OC)	O(CC[6a]CH)(SiC3)	C(C[6a]C[6a]2)(CCC)(OSi)(H)	Si(CC3)(CH3)2(OC)	122.6670	0.000	1	122.6670	0.000	1	125.0103	4.227	3	126.7219	4.123	9	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	3:3:2:1:	4:4:4:2:	C-4:Si-4:	C[6a]-3:C-3:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CC[6a]CH)(SiC3)	C(C[6a]C[6a]2)(CClC)(OSi)(H)	Si(CC3)(CH3)2(OC)	O(CC[6a]CH)(SiC3)	C(C[6a]C[6a]2)(CClC)(OSi)(H)	Si(CC3)(CH3)2(OC)	125.8520	0.000	1	125.8520	0.000	1	125.0103	4.227	3	126.7219	4.123	9	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	3:3:2:1:	4:4:4:2:	C-4:Si-4:	C[6a]-3:C-3:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CC[6a]CH)(SiC3)	C(C[6a]C[6a]2)(CNO)(OSi)(H)	Si(CH3)3(OC)	O(CC[6a]CH)(SiC3)	C(C[6a]C[6a]2)(CNO)(OSi)(H)	Si(CH3)3(OC)	126.5120	0.000	1	126.5120	0.000	1	125.0103	4.227	3	126.7219	4.123	9	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	3:3:2:1:	4:4:4:2:	C-4:Si-4:	C[6a]-3:N[5a]-3:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CC[6a]N[5a]H)(SiC3)	C(C[6a]C[6a,6a]C[6a])(N[5a]N[5a]2)(OSi)(H)	Si(CC3)(CH3)2(OC)	O(CC[6a]N[5a]H)(SiC3)	C(C[6a]C[6a,6a]C[6a])(N[5a]N[5a]2)(OSi)(H)	Si(CC3)(CH3)2(OC)	129.4370	0.000	1	129.4370	0.000	1	129.4370	0.000	1	126.7219	4.123	9	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	3:3:3:2:	4:4:4:2:	C-4:Si-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C-4:C-4:C-4:O-2:	O(CC[6a]3)(SiC3)	C(C[6a]C[6a]2)3(OSi)	Si(CH3)3(OC)	O(CC[6a]3)(SiC3)	C(C[6a]C[6a]2)3(OSi)	Si(CH3)3(OC)	139.7830	0.000	1	139.7830	0.000	1	139.7830	0.000	1	139.7830	0.000	1	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	3:4:2:1:	3:3:4:2:	Si-4:C-4:	C-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	O(SiC[6a]2C)(CCCH)	C(CC[5]H)(CHHO)(OSi)(H)	Si(C[6a]C[6a]2)2(CC3)(OC)	O(SiC[6a]2C)(CCCH)	C(CC[5]H)(CHHO)(OSi)(H)	Si(C[6a]C[6a]2)2(CC3)(OC)	126.9970	0.000	1	126.9970	0.000	1	126.9970	0.000	1	126.9970	0.000	1	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	3:4:2:1:	3:4:4:2:	C-4:Si-4:	C[6a]-3:C[6]-4:O-2:H-1:	N-3:C-4:C-4:O-2:	O(CC[6a]C[6]H)(SiCCN)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OSi)(H)	Si(NC[6a]C)(CC3)2(OC)	O(CC[6a]C[6]H)(SiCCN)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OSi)(H)	Si(NC[6a]C)(CC3)2(OC)	135.1200	0.000	1	135.1200	0.000	1	135.1200	0.000	1	129.1903	32.400	3	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	3:4:2:1:	3:4:4:2:	Si-4:C-4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:O-2:	O(SiC[6a]CC)(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CH3)(OSi)(H)	Si(C[6a]C[6a]2)(CCCH)2(OC)	O(SiC[6a]CC)(CC[6a]CH)	C(C[6a]C[6a,6a]C[6a])(CH3)(OSi)(H)	Si(C[6a]C[6a]2)(CCCH)2(OC)	128.6810	0.000	1	128.6810	0.000	1	126.2255	12.059	2	129.1903	32.400	3	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	3:4:2:1:	3:4:4:2:	Si-4:C-4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:C-4:O-2:	O(SiC[6a]CC)(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]CO)(OSi)(H)	Si(C[6a]C[6a]2)(CH3)2(OC)	O(SiC[6a]CC)(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]CO)(OSi)(H)	Si(C[6a]C[6a]2)(CH3)2(OC)	123.7700	0.000	1	123.7700	0.000	1	126.2255	12.059	2	129.1903	32.400	3	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	3:4:2:1:	4:4:2:2:	C-4:Si-4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:O-2:O-2:	O(CC[6a]CH)(SiCCO)	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	Si(CC3)2(OC)2	O(CC[6a]CH)(SiCCO)	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	Si(CC3)2(OC)2	139.5630	3.547	3	139.5630	12.578	3	139.5630	12.578	3	139.5630	12.578	3	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	3:4:2:1:	4:4:4:2:	C-4:Si-4:	C-3:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CCCH)(SiC3)	C(CC[6a]O)(CCCH)(OSi)(H)	Si(CC3)(CH3)2(OC)	O(CCCH)(SiC3)	C(CC[6a]O)(CCCH)(OSi)(H)	Si(CC3)(CH3)2(OC)	124.1620	0.823	2	124.1620	0.677	2	124.1620	0.677	2	127.3769	9.724	23	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	3:4:2:1:	4:4:4:2:	C-4:Si-4:	C[6]-3:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CC[6]CH)(SiC3)	C(C[6]C[6]2)(CCHH)(OSi)(H)	Si(CCCH)3(OC)	O(CC[6]CH)(SiC3)	C(C[6]C[6]2)(CCHH)(OSi)(H)	Si(CCCH)3(OC)	127.3800	0.000	1	127.3800	0.000	1	126.3710	2.036	2	127.3769	9.724	23	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	3:4:2:1:	4:4:4:2:	C-4:Si-4:	C[6]-3:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CC[6]CH)(SiC3)	C(C[6]C[6]2)(CCHH)(OSi)(H)	Si(CH3)3(OC)	O(CC[6]CH)(SiC3)	C(C[6]C[6]2)(CCHH)(OSi)(H)	Si(CH3)3(OC)	125.3620	0.000	1	125.3620	0.000	1	126.3710	2.036	2	127.3769	9.724	23	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	3:4:2:1:	4:4:4:2:	C-4:Si-4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CC[6a]CH)(SiC3)	C(C[6a]C[6a]2)(CC3)(OSi)(H)	Si(CCHH)(CC3)2(OC)	O(CC[6a]CH)(SiC3)	C(C[6a]C[6a]2)(CC3)(OSi)(H)	Si(CCHH)(CC3)2(OC)	129.5197	2.711	3	129.5197	7.347	3	127.8735	13.092	15	127.3769	9.724	23	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	3:4:2:1:	4:4:4:2:	C-4:Si-4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CC[6a]CH)(SiC3)	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	Si(CC3)(CH3)2(OC)	O(CC[6a]CH)(SiC3)	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	Si(CC3)(CH3)2(OC)	123.6200	3.205	2	123.6200	10.270	2	127.8735	13.092	15	127.3769	9.724	23	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	3:4:2:1:	4:4:4:2:	C-4:Si-4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CC[6a]CH)(SiC3)	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	Si(CH3)3(OC)	O(CC[6a]CH)(SiC3)	C(C[6a]C[6a]2)(CCCH)(OSi)(H)	Si(CH3)3(OC)	126.4310	0.000	1	126.4310	0.000	1	127.8735	13.092	15	127.3769	9.724	23	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	3:4:2:1:	4:4:4:2:	C-4:Si-4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CC[6a]CH)(SiC3)	C(C[6a]C[6a]2)(CCHN)(OSi)(H)	Si(CC3)(CH3)2(OC)	O(CC[6a]CH)(SiC3)	C(C[6a]C[6a]2)(CCHN)(OSi)(H)	Si(CC3)(CH3)2(OC)	127.1743	0.572	3	127.1743	0.327	3	127.8735	13.092	15	127.3769	9.724	23	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	3:4:2:1:	4:4:4:2:	C-4:Si-4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CC[6a]CH)(SiC3)	C(C[6a]C[6a]2)(CCHO)(OSi)(H)	Si(CC3)(CH3)2(OC)	O(CC[6a]CH)(SiC3)	C(C[6a]C[6a]2)(CCHO)(OSi)(H)	Si(CC3)(CH3)2(OC)	126.1550	0.000	1	126.1550	0.000	1	127.8735	13.092	15	127.3769	9.724	23	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	3:4:2:1:	4:4:4:2:	C-4:Si-4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CC[6a]CH)(SiC3)	C(C[6a]C[6a]N[6a])(CCHH)(OSi)(H)	Si(CCCH)3(OC)	O(CC[6a]CH)(SiC3)	C(C[6a]C[6a]N[6a])(CCHH)(OSi)(H)	Si(CCCH)3(OC)	127.1780	0.000	1	127.1780	0.000	1	127.8735	13.092	15	127.3769	9.724	23	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	3:4:2:1:	4:4:4:2:	C-4:Si-4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CC[6a]CH)(SiC3)	C(C[6a]N[6a]2)(CCCH)(OSi)(H)	Si(CC3)(CH3)2(OC)	O(CC[6a]CH)(SiC3)	C(C[6a]N[6a]2)(CCCH)(OSi)(H)	Si(CC3)(CH3)2(OC)	131.8560	5.144	3	131.8560	26.456	3	127.8735	13.092	15	127.3769	9.724	23	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	3:4:2:1:	4:4:4:2:	C-4:Si-4:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CC[6a]CH)(SiC3)	C(C[6a]N[6a]2)(CH3)(OSi)(H)	Si(CC3)(CH3)2(OC)	O(CC[6a]CH)(SiC3)	C(C[6a]N[6a]2)(CH3)(OSi)(H)	Si(CC3)(CH3)2(OC)	125.4480	0.000	1	125.4480	0.000	1	127.8735	13.092	15	127.3769	9.724	23	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	3:4:2:1:	4:4:4:2:	C-4:Si-4:	C[6a]-3:C-4:O-2:H-1:	Si-4:Si-4:Si-4:O-2:	O(CC[6a]CH)(SiSi3)	C(C[6a]C[6a]2)(CCFH)(OSi)(H)	Si(SiC3)3(OC)	O(CC[6a]CH)(SiSi3)	C(C[6a]C[6a]2)(CCFH)(OSi)(H)	Si(SiC3)3(OC)	127.7460	0.000	1	127.7460	0.000	1	127.7460	0.000	1	127.3769	9.724	23	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	3:4:2:1:	4:4:4:2:	C-4:Si-4:	C[6a]-3:C[6]-4:O-2:H-1:	Si-4:Si-4:Si-4:O-2:	O(CC[6a]C[6]H)(SiSi3)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OSi)(H)	Si(SiC3)3(OC)	O(CC[6a]C[6]H)(SiSi3)	C(C[6a]C[6a]2)(C[6]C[6]2H)(OSi)(H)	Si(SiC3)3(OC)	128.4190	0.000	1	128.4190	0.000	1	128.4190	0.000	1	127.3769	9.724	23	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	3:4:2:1:	4:4:4:2:	C-4:Si-4:	N[5]-3:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CN[5]CH)(SiC3)	C(N[5]C[5]2)(CCHH)(OSi)(H)	Si(CH3)3(OC)	O(CN[5]CH)(SiC3)	C(N[5]C[5]2)(CCHH)(OSi)(H)	Si(CH3)3(OC)	126.8430	0.000	1	126.8430	0.000	1	126.8430	0.000	1	127.3769	9.724	23	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	3:4:2:1:	4:4:4:2:	C-4:Si-4:	N[5a]-3:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CN[5a]CH)(SiC3)	C(N[5a]C[5a]N[5a])(CH3)(OSi)(H)	Si(CC3)(CH3)2(OC)	O(CN[5a]CH)(SiC3)	C(N[5a]C[5a]N[5a])(CH3)(OSi)(H)	Si(CC3)(CH3)2(OC)	127.4930	0.000	1	127.4930	0.000	1	127.4930	0.000	1	127.3769	9.724	23	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	3:4:2:2:	4:4:4:2:	C-4:Si-4:	C[6a]-3:C-4:O-2:O-2:	C-4:C-4:C-4:O-2:	O(CC[6a]CO)(SiC3)	C(C[6a]C[6a]2)(CCCH)(OSi)2	Si(CC3)(CH3)2(OC)	O(CC[6a]CO)(SiC3)	C(C[6a]C[6a]2)(CCCH)(OSi)2	Si(CC3)(CH3)2(OC)	129.7620	0.288	2	129.7620	0.083	2	132.6738	11.332	4	132.6738	11.332	4	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	3:4:2:2:	4:4:4:2:	C-4:Si-4:	C[6a]-3:C-4:O-2:O-2:	C-4:C-4:C-4:O-2:	O(CC[6a]CO)(SiC3)	C(C[6a]C[6a]2)(CCCH)(OSi)2	Si(CH3)3(OC)	O(CC[6a]CO)(SiC3)	C(C[6a]C[6a]2)(CCCH)(OSi)2	Si(CH3)3(OC)	135.5855	0.008	2	135.5855	0.000	2	132.6738	11.332	4	132.6738	11.332	4	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	3:4:3:2:	4:4:4:2:	C-4:Si-4:	C[6a]-3:C-4:C-3:O-2:	C-4:C-4:C-4:O-2:	O(CC[6a]CC)(SiC3)	C(C[6a]C[6a]2)(CF3)(CCH)(OSi)	Si(CH3)3(OC)	O(CC[6a]CC)(SiC3)	C(C[6a]C[6a]2)(CF3)(CCH)(OSi)	Si(CH3)3(OC)	133.2730	0.000	1	133.2730	0.000	1	133.2730	0.000	1	133.2730	0.000	1	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	3:4:4:2:	3:3:2:2:	C-4:Si-4:	C[6a]-3:C-4:C-4:O-2:	N-3:N-3:O-2:O-2:	O(CC[6a]CC)(SiNNO)	C(C[6a]C[6a]2)(CH3)2(OSi)	Si(NB[5a]Si)2(OC)(OH)	O(CC[6a]CC)(SiNNO)	C(C[6a]C[6a]2)(CH3)2(OSi)	Si(NB[5a]Si)2(OC)(OH)	156.3470	0.000	1	156.3470	0.000	1	156.3470	0.000	1	156.3470	0.000	1	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	3:4:4:2:	4:4:2:2:	C-4:Si-4:	C[4]-3:C-4:C-4:O-2:	C-4:C-4:O-2:O-2:	O(CC[4]CC)(SiCCO)	C(C[4]C[4]2)(CH3)2(OSi)	Si(CH3)2(OC)2	O(CC[4]CC)(SiCCO)	C(C[4]C[4]2)(CH3)2(OSi)	Si(CH3)2(OC)2	128.5437	1.426	4	128.5437	2.032	4	128.5437	2.032	4	128.5437	2.032	4	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	3:3:3:2:	Si-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:O-2:	O(SiC[6a]2C)(CCHH)	C(CCHH)(OSi)(H)2	Si(C[6a]C[6a]2)2(CCC)(OC)	O(SiC[6a]2C)(CCHH)	C(CCHH)(OSi)(H)2	Si(C[6a]C[6a]2)2(CCC)(OC)	122.2520	0.000	1	122.2520	0.000	1	122.2520	0.000	1	122.2520	0.000	1	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	3:3:4:2:	C-4:Si-4:	C[3,5]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	O(CC[3,5]HH)(SiC[6a]2C)	C(C[3,5]C[3,5]C[5]O[3])(OSi)(H)2	Si(C[6a]C[6a]2)2(CC3)(OC)	O(CC[3,5]HH)(SiC[6a]2C)	C(C[3,5]C[3,5]C[5]O[3])(OSi)(H)2	Si(C[6a]C[6a]2)2(CC3)(OC)	126.4285	0.200	2	126.4285	0.040	2	126.4285	0.040	2	125.3469	6.981	50	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	3:3:4:2:	C-4:Si-4:	C[3x6]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	O(CC[3x6]HH)(SiC[6a]2C)	C(C[3x6]C[6,6]2O[6,6])(OSi)(H)2	Si(C[6a]C[6a]2)2(CC3)(OC)	O(CC[3x6]HH)(SiC[6a]2C)	C(C[3x6]C[6,6]2O[6,6])(OSi)(H)2	Si(C[6a]C[6a]2)2(CC3)(OC)	125.4600	1.259	2	125.4600	1.584	2	125.4600	1.584	2	125.3469	6.981	50	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	3:3:4:2:	Si-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	O(SiC[6a]2C)(CCHH)	C(CCCH)(OSi)(H)2	Si(C[6a]C[6a]2)2(CC3)(OC)	O(SiC[6a]2C)(CCHH)	C(CCCH)(OSi)(H)2	Si(C[6a]C[6a]2)2(CC3)(OC)	125.6700	0.000	1	125.6700	0.000	1	125.5440	9.298	12	125.3469	6.981	50	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	3:3:4:2:	Si-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	O(SiC[6a]2C)(CCHH)	C(CCHH)(OSi)(H)2	Si(C[6a]C[6a]2)2(CC3)(OC)	O(SiC[6a]2C)(CCHH)	C(CCHH)(OSi)(H)2	Si(C[6a]C[6a]2)2(CC3)(OC)	124.8307	0.876	3	124.8307	0.767	3	125.5440	9.298	12	125.3469	6.981	50	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	3:3:4:2:	Si-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	O(SiC[6a]2C)(CCHH)	C(CCHN)(OSi)(H)2	Si(C[6a]C[6a]2)2(CC3)(OC)	O(SiC[6a]2C)(CCHH)	C(CCHN)(OSi)(H)2	Si(C[6a]C[6a]2)2(CC3)(OC)	126.7685	6.308	2	126.7685	39.792	2	125.5440	9.298	12	125.3469	6.981	50	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	3:3:4:2:	Si-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	O(SiC[6a]2C)(CCHH)	C(CC[5]HH)(OSi)(H)2	Si(C[6a]C[6a]2)2(CC3)(OC)	O(SiC[6a]2C)(CCHH)	C(CC[5]HH)(OSi)(H)2	Si(C[6a]C[6a]2)2(CC3)(OC)	125.0490	0.000	1	125.0490	0.000	1	125.5440	9.298	12	125.3469	6.981	50	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	3:3:4:2:	Si-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	O(SiC[6a]2C)(CCHH)	C(CC[5a]HH)(OSi)(H)2	Si(C[6a]C[6a]2)2(CC3)(OC)	O(SiC[6a]2C)(CCHH)	C(CC[5a]HH)(OSi)(H)2	Si(C[6a]C[6a]2)2(CC3)(OC)	123.4850	0.000	1	123.4850	0.000	1	125.5440	9.298	12	125.3469	6.981	50	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	3:3:4:2:	Si-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	O(SiC[6a]2C)(CCHH)	C(CC[6]CH)(OSi)(H)2	Si(C[6a]C[6a]2)2(CC3)(OC)	O(SiC[6a]2C)(CCHH)	C(CC[6]CH)(OSi)(H)2	Si(C[6a]C[6a]2)2(CC3)(OC)	132.1690	0.000	1	132.1690	0.000	1	125.5440	9.298	12	125.3469	6.981	50	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	3:3:4:2:	Si-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	O(SiC[6a]2C)(CCHH)	C(CC[6]HH)(OSi)(H)2	Si(C[6a]C[6a]2)2(CC3)(OC)	O(SiC[6a]2C)(CCHH)	C(CC[6]HH)(OSi)(H)2	Si(C[6a]C[6a]2)2(CC3)(OC)	124.0420	0.795	3	124.0420	0.631	3	125.5440	9.298	12	125.3469	6.981	50	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	3:3:4:2:	Si-4:C-4:	C[3]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	O(SiC[6a]2C)(CC[3]HH)	C(C[3]C[3]O[3]C)(OSi)(H)2	Si(C[6a]C[6a]2)2(CC3)(OC)	O(SiC[6a]2C)(CC[3]HH)	C(C[3]C[3]O[3]C)(OSi)(H)2	Si(C[6a]C[6a]2)2(CC3)(OC)	126.2590	0.000	1	126.2590	0.000	1	126.2590	0.000	1	125.3469	6.981	50	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	3:3:4:2:	Si-4:C-4:	C[4]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	O(SiC[6a]2C)(CC[4]HH)	C(C[4]C[4]2N)(OSi)(H)2	Si(C[6a]C[6a]2)2(CC3)(OC)	O(SiC[6a]2C)(CC[4]HH)	C(C[4]C[4]2N)(OSi)(H)2	Si(C[6a]C[6a]2)2(CC3)(OC)	126.4010	0.739	5	126.4010	0.546	5	126.4010	0.546	5	125.3469	6.981	50	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	3:3:4:2:	Si-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	O(SiC[6a]2C)(CC[5]HH)	C(C[5]C[5,5]C[5]C)(OSi)(H)2	Si(C[6a]C[6a]2)2(CC3)(OC)	O(SiC[6a]2C)(CC[5]HH)	C(C[5]C[5,5]C[5]C)(OSi)(H)2	Si(C[6a]C[6a]2)2(CC3)(OC)	122.8620	0.000	1	122.8620	0.000	1	125.1613	7.889	19	125.3469	6.981	50	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	3:3:4:2:	Si-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	O(SiC[6a]2C)(CC[5]HH)	C(C[5]C[5,5]O[5]H)(OSi)(H)2	Si(C[6a]C[6a]2)2(CC3)(OC)	O(SiC[6a]2C)(CC[5]HH)	C(C[5]C[5,5]O[5]H)(OSi)(H)2	Si(C[6a]C[6a]2)2(CC3)(OC)	125.4075	3.060	2	125.4075	9.361	2	125.1613	7.889	19	125.3469	6.981	50	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	3:3:4:2:	Si-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	O(SiC[6a]2C)(CC[5]HH)	C(C[5]C[5]2C)(OSi)(H)2	Si(C[6a]C[6a]2)2(CC3)(OC)	O(SiC[6a]2C)(CC[5]HH)	C(C[5]C[5]2C)(OSi)(H)2	Si(C[6a]C[6a]2)2(CC3)(OC)	127.2880	3.886	4	127.2880	15.101	4	125.1613	7.889	19	125.3469	6.981	50	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	3:3:4:2:	Si-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	O(SiC[6a]2C)(CC[5]HH)	C(C[5]C[5]2O)(OSi)(H)2	Si(C[6a]C[6a]2)2(CC3)(OC)	O(SiC[6a]2C)(CC[5]HH)	C(C[5]C[5]2O)(OSi)(H)2	Si(C[6a]C[6a]2)2(CC3)(OC)	126.6350	0.000	1	126.6350	0.000	1	125.1613	7.889	19	125.3469	6.981	50	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	3:3:4:2:	Si-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	O(SiC[6a]2C)(CC[5]HH)	C(C[5]C[5]2O[5])(OSi)(H)2	Si(C[6a]C[6a]2)2(CC3)(OC)	O(SiC[6a]2C)(CC[5]HH)	C(C[5]C[5]2O[5])(OSi)(H)2	Si(C[6a]C[6a]2)2(CC3)(OC)	124.4980	0.000	1	124.4980	0.000	1	125.1613	7.889	19	125.3469	6.981	50	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	3:3:4:2:	Si-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	O(SiC[6a]2C)(CC[5]HH)	C(C[5]C[5]N[5]C)(OSi)(H)2	Si(C[6a]C[6a]2)2(CC3)(OC)	O(SiC[6a]2C)(CC[5]HH)	C(C[5]C[5]N[5]C)(OSi)(H)2	Si(C[6a]C[6a]2)2(CC3)(OC)	124.5775	3.246	2	124.5775	10.539	2	125.1613	7.889	19	125.3469	6.981	50	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	3:3:4:2:	Si-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	O(SiC[6a]2C)(CC[5]HH)	C(C[5]C[5]O[5]C)(OSi)(H)2	Si(C[6a]C[6a]2)2(CC3)(OC)	O(SiC[6a]2C)(CC[5]HH)	C(C[5]C[5]O[5]C)(OSi)(H)2	Si(C[6a]C[6a]2)2(CC3)(OC)	127.7440	0.000	1	127.7440	0.000	1	125.1613	7.889	19	125.3469	6.981	50	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	3:3:4:2:	Si-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	O(SiC[6a]2C)(CC[5]HH)	C(C[5]C[5]O[5]H)(OSi)(H)2	Si(C[6a]C[6a]2)2(CC3)(OC)	O(SiC[6a]2C)(CC[5]HH)	C(C[5]C[5]O[5]H)(OSi)(H)2	Si(C[6a]C[6a]2)2(CC3)(OC)	123.1664	2.304	5	123.1664	5.309	5	125.1613	7.889	19	125.3469	6.981	50	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	3:3:4:2:	Si-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	O(SiC[6a]2C)(CC[5]HH)	C(C[5]N[5,6]C[5]H)(OSi)(H)2	Si(C[6a]C[6a]2)2(CC3)(OC)	O(SiC[6a]2C)(CC[5]HH)	C(C[5]N[5,6]C[5]H)(OSi)(H)2	Si(C[6a]C[6a]2)2(CC3)(OC)	125.6855	1.288	2	125.6855	1.658	2	125.1613	7.889	19	125.3469	6.981	50	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	3:3:4:2:	Si-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	O(SiC[6a]2C)(CC[6]HH)	C(C[6]C[5a,6]C[6,6]H)(OSi)(H)2	Si(C[6a]C[6a]2)2(CC3)(OC)	O(SiC[6a]2C)(CC[6]HH)	C(C[6]C[5a,6]C[6,6]H)(OSi)(H)2	Si(C[6a]C[6a]2)2(CC3)(OC)	123.6190	0.000	1	123.6190	0.000	1	124.5234	9.748	9	125.3469	6.981	50	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	3:3:4:2:	Si-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	O(SiC[6a]2C)(CC[6]HH)	C(C[6]C[6]2H)(OSi)(H)2	Si(C[6a]C[6a]2)2(CC3)(OC)	O(SiC[6a]2C)(CC[6]HH)	C(C[6]C[6]2H)(OSi)(H)2	Si(C[6a]C[6a]2)2(CC3)(OC)	127.2330	0.000	1	127.2330	0.000	1	124.5234	9.748	9	125.3469	6.981	50	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	3:3:4:2:	Si-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	O(SiC[6a]2C)(CC[6]HH)	C(C[6]C[6]O[6]H)(OSi)(H)2	Si(C[6a]C[6a]2)2(CC3)(OC)	O(SiC[6a]2C)(CC[6]HH)	C(C[6]C[6]O[6]H)(OSi)(H)2	Si(C[6a]C[6a]2)2(CC3)(OC)	124.2656	3.400	7	124.2656	11.559	7	124.5234	9.748	9	125.3469	6.981	50	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	3:4:2:2:	Si-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:O-2:O-2:	O(SiC[6a]CO)(CCHH)	C(CH3)(OSi)(H)2	Si(C[6a]C[6a]2)(CH3)(OC)2	O(SiC[6a]CO)(CCHH)	C(CH3)(OSi)(H)2	Si(C[6a]C[6a]2)(CH3)(OC)2	125.7348	2.209	4	125.7348	4.880	4	125.7348	4.880	4	124.3048	13.884	5	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	3:4:2:2:	Si-4:C-4:	C-4:O-2:H-1:H-1:	N-3:C-4:C-2:O-2:	O(SiCCN)(CCHH)	C(CCHH)(OSi)(H)2	Si(NC[6a]C[6])(CH3)(CH)(OC)	O(SiCCN)(CCHH)	C(CCHH)(OSi)(H)2	Si(NC[6a]C[6])(CH3)(CH)(OC)	118.5850	0.000	1	118.5850	0.000	1	118.5850	0.000	1	124.3048	13.884	5	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:2:2:1:	Si-4:C-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-2:Cl-1:	O(SiClCO)(CCHH)	C(CHHN)(OSi)(H)2	Si(CH3)(OC)2(Cl)	O(SiClCO)(CCHH)	C(CHHN)(OSi)(H)2	Si(CH3)(OC)2(Cl)	121.3690	1.848	2	121.3690	3.416	2	121.3690	3.416	2	121.3690	3.416	2	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:2:2:2:	Si-4:C-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-2:O-2:	O(SiCOO)(CCHH)	C(CH3)(OSi)(H)2	Si(CCHH)(OC)3	O(SiCOO)(CCHH)	C(CH3)(OSi)(H)2	Si(CCHH)(OC)3	125.0637	1.185	3	125.0637	1.404	3	122.8742	0.846	33	123.2239	1.032	69	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:2:2:2:	Si-4:C-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-2:O-2:	O(SiCOO)(CCHH)	C(CHHN)(OSi)(H)2	Si(CCHH)(OC)3	O(SiCOO)(CCHH)	C(CHHN)(OSi)(H)2	Si(CCHH)(OC)3	122.6595	0.570	27	122.6595	0.325	27	122.8742	0.846	33	123.2239	1.032	69	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:2:2:2:	Si-4:C-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-2:O-2:	O(SiCOO)(CCHH)	C(CHHN)(OSi)(H)2	Si(CH3)(OC)3	O(SiCOO)(CCHH)	C(CHHN)(OSi)(H)2	Si(CH3)(OC)3	122.6173	0.027	3	122.6173	0.001	3	122.8742	0.846	33	123.2239	1.032	69	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:2:2:2:	Si-4:C-4:	C-4:O-2:H-1:H-1:	Si-4:O-2:O-2:O-2:	O(SiSiOO)(CCHH)	C(CHHN)(OSi)(H)2	Si(SiC[6a]Si2)(OC)3	O(SiSiOO)(CCHH)	C(CHHN)(OSi)(H)2	Si(SiC[6a]Si2)(OC)3	122.5835	0.982	6	122.5835	0.963	6	123.4921	1.258	27	123.2239	1.032	69	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:2:2:2:	Si-4:C-4:	C-4:O-2:H-1:H-1:	Si-4:O-2:O-2:O-2:	O(SiSiOO)(CCHH)	C(CHHN)(OSi)(H)2	Si(SiHfSi2)(OC)3	O(SiSiOO)(CCHH)	C(CHHN)(OSi)(H)2	Si(SiHfSi2)(OC)3	125.6547	0.321	3	125.6547	0.103	3	123.4921	1.258	27	123.2239	1.032	69	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:2:2:2:	Si-4:C-4:	C-4:O-2:H-1:H-1:	Si-4:O-2:O-2:O-2:	O(SiSiOO)(CCHH)	C(CHHN)(OSi)(H)2	Si(SiSi2C)(OC)3	O(SiSiOO)(CCHH)	C(CHHN)(OSi)(H)2	Si(SiSi2C)(OC)3	123.0710	0.964	3	123.0710	0.930	3	123.4921	1.258	27	123.2239	1.032	69	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:2:2:2:	Si-4:C-4:	C-4:O-2:H-1:H-1:	Si-4:O-2:O-2:O-2:	O(SiSiOO)(CCHH)	C(CHHN)(OSi)(H)2	Si(SiSi3)(OC)3	O(SiSiOO)(CCHH)	C(CHHN)(OSi)(H)2	Si(SiSi3)(OC)3	123.5072	0.671	15	123.5072	0.450	15	123.4921	1.258	27	123.2239	1.032	69	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:2:2:2:	Si-4:C-4:	C-4:O-2:H-1:H-1:	Si[6]-4:O-2:O-2:O-2:	O(SiSi[6]OO)(CCHH)	C(CHHN)(OSi)(H)2	Si(Si[6]Si[6]2Si)(OC)3	O(SiSi[6]OO)(CCHH)	C(CHHN)(OSi)(H)2	Si(Si[6]Si[6]2Si)(OC)3	123.7013	0.543	9	123.7013	0.295	9	123.7013	0.295	9	123.2239	1.032	69	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:2:2:	C-4:Si-4:	C[3,6]-4:O-2:H-1:H-1:	C-4:C-4:O-2:O-2:	O(CC[3,6]HH)(SiCCO)	C(C[3,6]C[3,6]C[6]N[3])(OSi)(H)2	Si(CC3)2(OC)2	O(CC[3,6]HH)(SiCCO)	C(C[3,6]C[3,6]C[6]N[3])(OSi)(H)2	Si(CC3)2(OC)2	132.8390	0.000	1	132.8390	0.000	1	132.8390	0.000	1	129.8800	17.511	2	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:2:2:	C-4:Si-4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:O-2:O-2:	O(CC[5]HH)(SiCCO)	C(C[5]C[5]2H)(OSi)(H)2	Si(CCCH)2(OSi)(OC)	O(CC[5]HH)(SiCCO)	C(C[5]C[5]2H)(OSi)(H)2	Si(CCCH)2(OSi)(OC)	126.9210	0.000	1	126.9210	0.000	1	126.9210	0.000	1	129.8800	17.511	2	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:3:2:	C-4:Si-4:	C[6]-4:O-2:H-1:H-1:	C-4:C-4:C-3:O-2:	O(CC[6]HH)(SiC3)	C(C[6]C[6]N[6]H)(OSi)(H)2	Si(CCCH)2(CCC)(OC)	O(CC[6]HH)(SiC3)	C(C[6]C[6]N[6]H)(OSi)(H)2	Si(CCCH)2(CCC)(OC)	123.9870	0.000	1	123.9870	0.000	1	123.9870	0.000	1	123.9870	0.000	1	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:4:2:	C-4:Si-4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CCHH)(SiC3)	C(CBrCH)(OSi)(H)2	Si(CC3)(CH3)2(OC)	O(CCHH)(SiC3)	C(CBrCH)(OSi)(H)2	Si(CC3)(CH3)2(OC)	125.9940	0.000	2	125.9940	0.000	2	125.4289	6.221	55	125.3086	6.374	123	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:4:2:	C-4:Si-4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CCHH)(SiC3)	C(CC3)(OSi)(H)2	Si(CC3)(CH3)2(OC)	O(CCHH)(SiC3)	C(CC3)(OSi)(H)2	Si(CC3)(CH3)2(OC)	125.8210	0.263	2	125.8210	0.069	2	125.4289	6.221	55	125.3086	6.374	123	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:4:2:	C-4:Si-4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CCHH)(SiC3)	C(CCHH)(OSi)(H)2	Si(CC3)(CH3)2(OC)	O(CCHH)(SiC3)	C(CCHH)(OSi)(H)2	Si(CC3)(CH3)2(OC)	125.7828	2.036	10	125.7828	4.146	10	125.4289	6.221	55	125.3086	6.374	123	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:4:2:	C-4:Si-4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CCHH)(SiC3)	C(CCHN)(OSi)(H)2	Si(CC3)(CH3)2(OC)	O(CCHH)(SiC3)	C(CCHN)(OSi)(H)2	Si(CC3)(CH3)2(OC)	125.0151	2.601	8	125.0151	6.766	8	125.4289	6.221	55	125.3086	6.374	123	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:4:2:	C-4:Si-4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CCHH)(SiC3)	C(CCHO)(OSi)(H)2	Si(CC3)(CH3)2(OC)	O(CCHH)(SiC3)	C(CCHO)(OSi)(H)2	Si(CC3)(CH3)2(OC)	127.3675	4.018	2	127.3675	16.148	2	125.4289	6.221	55	125.3086	6.374	123	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:4:2:	C-4:Si-4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CCHH)(SiC3)	C(CCHO)(OSi)(H)2	Si(CCCH)3(OC)	O(CCHH)(SiC3)	C(CCHO)(OSi)(H)2	Si(CCCH)3(OC)	130.2363	1.981	3	130.2363	3.924	3	125.4289	6.221	55	125.3086	6.374	123	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:4:2:	C-4:Si-4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CCHH)(SiC3)	C(CC[3]CH)(OSi)(H)2	Si(CCCH)3(OC)	O(CCHH)(SiC3)	C(CC[3]CH)(OSi)(H)2	Si(CCCH)3(OC)	128.2580	0.000	1	128.2580	0.000	1	125.4289	6.221	55	125.3086	6.374	123	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:4:2:	C-4:Si-4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CCHH)(SiC3)	C(CC[5]HH)(OSi)(H)2	Si(CC3)(CH3)2(OC)	O(CCHH)(SiC3)	C(CC[5]HH)(OSi)(H)2	Si(CC3)(CH3)2(OC)	124.5545	1.025	11	124.5545	1.052	11	125.4289	6.221	55	125.3086	6.374	123	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:4:2:	C-4:Si-4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CCHH)(SiC3)	C(CC[5]HH)(OSi)(H)2	Si(CCCH)3(OC)	O(CCHH)(SiC3)	C(CC[5]HH)(OSi)(H)2	Si(CCCH)3(OC)	122.3800	0.000	2	122.3800	0.000	2	125.4289	6.221	55	125.3086	6.374	123	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:4:2:	C-4:Si-4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CCHH)(SiC3)	C(CC[5]HH)(OSi)(H)2	Si(CH3)3(OC)	O(CCHH)(SiC3)	C(CC[5]HH)(OSi)(H)2	Si(CH3)3(OC)	126.0280	0.000	1	126.0280	0.000	1	125.4289	6.221	55	125.3086	6.374	123	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:4:2:	C-4:Si-4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CCHH)(SiC3)	C(CC[5]HN)(OSi)(H)2	Si(CC3)(CH3)2(OC)	O(CCHH)(SiC3)	C(CC[5]HN)(OSi)(H)2	Si(CC3)(CH3)2(OC)	125.2960	0.000	1	125.2960	0.000	1	125.4289	6.221	55	125.3086	6.374	123	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:4:2:	C-4:Si-4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CCHH)(SiC3)	C(CC[5]HO)(OSi)(H)2	Si(CC3)(CH3)2(OC)	O(CCHH)(SiC3)	C(CC[5]HO)(OSi)(H)2	Si(CC3)(CH3)2(OC)	126.0220	3.814	2	126.0220	14.548	2	125.4289	6.221	55	125.3086	6.374	123	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:4:2:	C-4:Si-4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CCHH)(SiC3)	C(CC[6]HH)(OSi)(H)2	Si(CC3)(CH3)2(OC)	O(CCHH)(SiC3)	C(CC[6]HH)(OSi)(H)2	Si(CC3)(CH3)2(OC)	123.0480	0.000	1	123.0480	0.000	1	125.4289	6.221	55	125.3086	6.374	123	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:4:2:	C-4:Si-4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CCHH)(SiC3)	C(CC[6]HH)(OSi)(H)2	Si(CCCH)3(OC)	O(CCHH)(SiC3)	C(CC[6]HH)(OSi)(H)2	Si(CCCH)3(OC)	126.5270	0.000	1	126.5270	0.000	1	125.4289	6.221	55	125.3086	6.374	123	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:4:2:	C-4:Si-4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CCHH)(SiC3)	C(CC[6]HO)(OSi)(H)2	Si(CC3)(CH3)2(OC)	O(CCHH)(SiC3)	C(CC[6]HO)(OSi)(H)2	Si(CC3)(CH3)2(OC)	125.4485	7.316	2	125.4485	53.530	2	125.4289	6.221	55	125.3086	6.374	123	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:4:2:	C-4:Si-4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CCHH)(SiC3)	C(CC[6a]HN)(OSi)(H)2	Si(CC3)(CH3)2(OC)	O(CCHH)(SiC3)	C(CC[6a]HN)(OSi)(H)2	Si(CC3)(CH3)2(OC)	123.3670	0.000	1	123.3670	0.000	1	125.4289	6.221	55	125.3086	6.374	123	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:4:2:	C-4:Si-4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CCHH)(SiC3)	C(CH3)(OSi)(H)2	Si(CC[5,6,6]HH)(CH3)2(OC)	O(CCHH)(SiC3)	C(CH3)(OSi)(H)2	Si(CC[5,6,6]HH)(CH3)2(OC)	122.1790	0.000	1	122.1790	0.000	1	125.4289	6.221	55	125.3086	6.374	123	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:4:2:	C-4:Si-4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CCHH)(SiC3)	C(CHHN)(OSi)(H)2	Si(CC3)(CH3)2(OC)	O(CCHH)(SiC3)	C(CHHN)(OSi)(H)2	Si(CC3)(CH3)2(OC)	122.7690	0.000	1	122.7690	0.000	1	125.4289	6.221	55	125.3086	6.374	123	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:4:2:	C-4:Si-4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CCHH)(SiC3)	C(CHHO)(OSi)(H)2	Si(CC3)(CH3)2(OC)	O(CCHH)(SiC3)	C(CHHO)(OSi)(H)2	Si(CC3)(CH3)2(OC)	126.7260	0.000	1	126.7260	0.000	1	125.4289	6.221	55	125.3086	6.374	123	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:4:2:	C-4:Si-4:	C-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CCHH)(SiC3)	C(CHHO)(OSi)(H)2	Si(CCCH)3(OC)	O(CCHH)(SiC3)	C(CHHO)(OSi)(H)2	Si(CCCH)3(OC)	124.7830	0.897	2	124.7830	0.804	2	125.4289	6.221	55	125.3086	6.374	123	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:4:2:	C-4:Si-4:	C[3,5]-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CC[3,5]HH)(SiC3)	C(C[3,5]C[3,5,5]C[3,5]C[5])(OSi)(H)2	Si(CC3)(CH3)2(OC)	O(CC[3,5]HH)(SiC3)	C(C[3,5]C[3,5,5]C[3,5]C[5])(OSi)(H)2	Si(CC3)(CH3)2(OC)	125.9455	0.373	2	125.9455	0.139	2	125.9455	0.139	2	125.3086	6.374	123	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:4:2:	C-4:Si-4:	C[3]-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CC[3]HH)(SiC3)	C(C[3]C[3]2H)(OSi)(H)2	Si(CC3)(CH3)2(OC)	O(CC[3]HH)(SiC3)	C(C[3]C[3]2H)(OSi)(H)2	Si(CC3)(CH3)2(OC)	128.5900	0.198	2	128.5900	0.039	2	126.3421	4.877	7	125.3086	6.374	123	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:4:2:	C-4:Si-4:	C[3]-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CC[3]HH)(SiC3)	C(C[3]C[3]N[3]H)(OSi)(H)2	Si(CC3)(CH3)2(OC)	O(CC[3]HH)(SiC3)	C(C[3]C[3]N[3]H)(OSi)(H)2	Si(CC3)(CH3)2(OC)	125.1647	2.123	4	125.1647	4.509	4	126.3421	4.877	7	125.3086	6.374	123	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:4:2:	C-4:Si-4:	C[3]-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CC[3]HH)(SiC3)	C(C[3]C[3]P[3]H)(OSi)(H)2	Si(CH3)3(OC)	O(CC[3]HH)(SiC3)	C(C[3]C[3]P[3]H)(OSi)(H)2	Si(CH3)3(OC)	126.5560	0.000	1	126.5560	0.000	1	126.3421	4.877	7	125.3086	6.374	123	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:4:2:	C-4:Si-4:	C[3x6]-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CC[3x6]HH)(SiC3)	C(C[3x6]C[3x6]C[4x6]C[6])(OSi)(H)2	Si(CC3)(CH3)2(OC)	O(CC[3x6]HH)(SiC3)	C(C[3x6]C[3x6]C[4x6]C[6])(OSi)(H)2	Si(CC3)(CH3)2(OC)	127.9490	0.000	1	127.9490	0.000	1	127.9490	0.000	1	125.3086	6.374	123	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:4:2:	C-4:Si-4:	C[4]-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CC[4]HH)(SiC3)	C(C[4]C[4]N[4]H)(OSi)(H)2	Si(CC3)(CH3)2(OC)	O(CC[4]HH)(SiC3)	C(C[4]C[4]N[4]H)(OSi)(H)2	Si(CC3)(CH3)2(OC)	124.9410	0.000	1	124.9410	0.000	1	124.9410	0.000	1	125.3086	6.374	123	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:4:2:	C-4:Si-4:	C[5,5,6]-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CC[5,5,6]HH)(SiC3)	C(C[5,5,6]C[5,5]C[5,6]2)(OSi)(H)2	Si(CCCH)3(OC)	O(CC[5,5,6]HH)(SiC3)	C(C[5,5,6]C[5,5]C[5,6]2)(OSi)(H)2	Si(CCCH)3(OC)	126.3685	1.133	2	126.3685	1.285	2	127.1690	1.532	5	125.3086	6.374	123	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:4:2:	C-4:Si-4:	C[5,5,6]-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CC[5,5,6]HH)(SiC3)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OSi)(H)2	Si(CC3)(CH3)2(OC)	O(CC[5,5,6]HH)(SiC3)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OSi)(H)2	Si(CC3)(CH3)2(OC)	128.4060	0.000	1	128.4060	0.000	1	127.1690	1.532	5	125.3086	6.374	123	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:4:2:	C-4:Si-4:	C[5,5,6]-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CC[5,5,6]HH)(SiC3)	C(C[5,5,6]C[5,6,6]C[5,5]C[5,6])(OSi)(H)2	Si(CCCH)3(OC)	O(CC[5,5,6]HH)(SiC3)	C(C[5,5,6]C[5,6,6]C[5,5]C[5,6])(OSi)(H)2	Si(CCCH)3(OC)	126.3600	0.000	1	126.3600	0.000	1	127.1690	1.532	5	125.3086	6.374	123	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:4:2:	C-4:Si-4:	C[5,5,6]-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CC[5,5,6]HH)(SiC3)	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(OSi)(H)2	Si(CC3)(CH3)2(OC)	O(CC[5,5,6]HH)(SiC3)	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(OSi)(H)2	Si(CC3)(CH3)2(OC)	128.3420	0.000	1	128.3420	0.000	1	127.1690	1.532	5	125.3086	6.374	123	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:4:2:	C-4:Si-4:	C[5,5]-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CC[5,5]HH)(SiC3)	C(C[5,5]C[5,5]C[5]O[5])(OSi)(H)2	Si(CC3)(CH3)2(OC)	O(CC[5,5]HH)(SiC3)	C(C[5,5]C[5,5]C[5]O[5])(OSi)(H)2	Si(CC3)(CH3)2(OC)	122.4650	0.000	1	122.4650	0.000	1	122.4650	0.000	1	125.3086	6.374	123	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:4:2:	C-4:Si-4:	C[5,6]-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CC[5,6]HH)(SiC3)	C(C[5,6]C[5,6]C[6]O[5])(OSi)(H)2	Si(CC3)(CH3)2(OC)	O(CC[5,6]HH)(SiC3)	C(C[5,6]C[5,6]C[6]O[5])(OSi)(H)2	Si(CC3)(CH3)2(OC)	125.2380	0.000	1	125.2380	0.000	1	125.4973	3.517	3	125.3086	6.374	123	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:4:2:	C-4:Si-4:	C[5,6]-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CC[5,6]HH)(SiC3)	C(C[5,6]O[5,6]C[5]C[6])(OSi)(H)2	Si(CC3)(CH3)2(OC)	O(CC[5,6]HH)(SiC3)	C(C[5,6]O[5,6]C[5]C[6])(OSi)(H)2	Si(CC3)(CH3)2(OC)	125.6270	2.633	2	125.6270	6.934	2	125.4973	3.517	3	125.3086	6.374	123	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:4:2:	C-4:Si-4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CC[5]HH)(SiC3)	C(C[5]C[4]C[5]N[5])(OSi)(H)2	Si(CC3)(CH3)2(OC)	O(CC[5]HH)(SiC3)	C(C[5]C[4]C[5]N[5])(OSi)(H)2	Si(CC3)(CH3)2(OC)	123.5550	0.000	1	123.5550	0.000	1	123.9904	4.765	25	125.3086	6.374	123	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:4:2:	C-4:Si-4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CC[5]HH)(SiC3)	C(C[5]C[5,5]C[5]O)(OSi)(H)2	Si(CC3)(CH3)2(OC)	O(CC[5]HH)(SiC3)	C(C[5]C[5,5]C[5]O)(OSi)(H)2	Si(CC3)(CH3)2(OC)	125.5070	0.000	1	125.5070	0.000	1	123.9904	4.765	25	125.3086	6.374	123	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:4:2:	C-4:Si-4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CC[5]HH)(SiC3)	C(C[5]C[5,5]O[5]H)(OSi)(H)2	Si(CC3)(CH3)2(OC)	O(CC[5]HH)(SiC3)	C(C[5]C[5,5]O[5]H)(OSi)(H)2	Si(CC3)(CH3)2(OC)	124.2895	1.774	2	124.2895	3.148	2	123.9904	4.765	25	125.3086	6.374	123	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:4:2:	C-4:Si-4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CC[5]HH)(SiC3)	C(C[5]C[5,6]O[5]H)(OSi)(H)2	Si(CC3)(CH3)2(OC)	O(CC[5]HH)(SiC3)	C(C[5]C[5,6]O[5]H)(OSi)(H)2	Si(CC3)(CH3)2(OC)	126.3130	0.000	1	126.3130	0.000	1	123.9904	4.765	25	125.3086	6.374	123	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:4:2:	C-4:Si-4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CC[5]HH)(SiC3)	C(C[5]C[5]2C)(OSi)(H)2	Si(CC3)(CH3)2(OC)	O(CC[5]HH)(SiC3)	C(C[5]C[5]2C)(OSi)(H)2	Si(CC3)(CH3)2(OC)	122.3570	0.000	1	122.3570	0.000	1	123.9904	4.765	25	125.3086	6.374	123	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:4:2:	C-4:Si-4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CC[5]HH)(SiC3)	C(C[5]C[5]2H)(OSi)(H)2	Si(CCCH)3(OC)	O(CC[5]HH)(SiC3)	C(C[5]C[5]2H)(OSi)(H)2	Si(CCCH)3(OC)	127.1055	0.701	2	127.1055	0.491	2	123.9904	4.765	25	125.3086	6.374	123	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:4:2:	C-4:Si-4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CC[5]HH)(SiC3)	C(C[5]C[5]N[5]H)(OSi)(H)2	Si(CC3)(CH3)2(OC)	O(CC[5]HH)(SiC3)	C(C[5]C[5]N[5]H)(OSi)(H)2	Si(CC3)(CH3)2(OC)	123.0510	0.000	1	123.0510	0.000	1	123.9904	4.765	25	125.3086	6.374	123	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:4:2:	C-4:Si-4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CC[5]HH)(SiC3)	C(C[5]C[5]O[5]C)(OSi)(H)2	Si(CC3)(CH3)2(OC)	O(CC[5]HH)(SiC3)	C(C[5]C[5]O[5]C)(OSi)(H)2	Si(CC3)(CH3)2(OC)	123.6690	2.794	2	123.6690	7.809	2	123.9904	4.765	25	125.3086	6.374	123	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:4:2:	C-4:Si-4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CC[5]HH)(SiC3)	C(C[5]C[5]O[5]H)(OSi)(H)2	Si(CC3)(CH3)2(OC)	O(CC[5]HH)(SiC3)	C(C[5]C[5]O[5]H)(OSi)(H)2	Si(CC3)(CH3)2(OC)	123.6715	2.564	11	123.6715	6.577	11	123.9904	4.765	25	125.3086	6.374	123	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:4:2:	C-4:Si-4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CC[5]HH)(SiC3)	C(C[5]C[5]O[5]H)(OSi)(H)2	Si(CCCH)3(OC)	O(CC[5]HH)(SiC3)	C(C[5]C[5]O[5]H)(OSi)(H)2	Si(CCCH)3(OC)	123.1415	0.268	2	123.1415	0.072	2	123.9904	4.765	25	125.3086	6.374	123	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:4:2:	C-4:Si-4:	C[5]-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CC[5]HH)(SiC3)	C(C[5]N[5,5]C[5]H)(OSi)(H)2	Si(CC3)(CH3)2(OC)	O(CC[5]HH)(SiC3)	C(C[5]N[5,5]C[5]H)(OSi)(H)2	Si(CC3)(CH3)2(OC)	122.1790	0.000	1	122.1790	0.000	1	123.9904	4.765	25	125.3086	6.374	123	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:4:2:	C-4:Si-4:	C[6,6]-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CC[6,6]HH)(SiC3)	C(C[6,6]C[6,6]C[6]2)(OSi)(H)2	Si(CCCH)3(OC)	O(CC[6,6]HH)(SiC3)	C(C[6,6]C[6,6]C[6]2)(OSi)(H)2	Si(CCCH)3(OC)	131.7890	0.000	1	131.7890	0.000	1	131.7890	0.000	1	125.3086	6.374	123	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:4:2:	C-4:Si-4:	C[6]-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CC[6]HH)(SiC3)	C(C[6]C[4,6]C[6]H)(OSi)(H)2	Si(CCCH)3(OC)	O(CC[6]HH)(SiC3)	C(C[6]C[4,6]C[6]H)(OSi)(H)2	Si(CCCH)3(OC)	124.6880	0.000	1	124.6880	0.000	1	125.4018	7.496	22	125.3086	6.374	123	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:4:2:	C-4:Si-4:	C[6]-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CC[6]HH)(SiC3)	C(C[6]C[5,5,6]C[6]H)(OSi)(H)2	Si(CC3)(CH3)2(OC)	O(CC[6]HH)(SiC3)	C(C[6]C[5,5,6]C[6]H)(OSi)(H)2	Si(CC3)(CH3)2(OC)	127.1940	0.000	1	127.1940	0.000	1	125.4018	7.496	22	125.3086	6.374	123	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:4:2:	C-4:Si-4:	C[6]-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CC[6]HH)(SiC3)	C(C[6]C[5,6]C[6]H)(OSi)(H)2	Si(CC3)(CH3)2(OC)	O(CC[6]HH)(SiC3)	C(C[6]C[5,6]C[6]H)(OSi)(H)2	Si(CC3)(CH3)2(OC)	125.9832	1.549	4	125.9832	2.398	4	125.4018	7.496	22	125.3086	6.374	123	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:4:2:	C-4:Si-4:	C[6]-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CC[6]HH)(SiC3)	C(C[6]C[6,6]C[6]C)(OSi)(H)2	Si(CC3)(CH3)2(OC)	O(CC[6]HH)(SiC3)	C(C[6]C[6,6]C[6]C)(OSi)(H)2	Si(CC3)(CH3)2(OC)	124.0915	0.514	2	124.0915	0.264	2	125.4018	7.496	22	125.3086	6.374	123	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:4:2:	C-4:Si-4:	C[6]-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CC[6]HH)(SiC3)	C(C[6]C[6,6]C[6]C)(OSi)(H)2	Si(CCCH)3(OC)	O(CC[6]HH)(SiC3)	C(C[6]C[6,6]C[6]C)(OSi)(H)2	Si(CCCH)3(OC)	130.9150	0.000	1	130.9150	0.000	1	125.4018	7.496	22	125.3086	6.374	123	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:4:2:	C-4:Si-4:	C[6]-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CC[6]HH)(SiC3)	C(C[6]C[6]2C)(OSi)(H)2	Si(CC3)(CH3)2(OC)	O(CC[6]HH)(SiC3)	C(C[6]C[6]2C)(OSi)(H)2	Si(CC3)(CH3)2(OC)	125.0550	0.000	1	125.0550	0.000	1	125.4018	7.496	22	125.3086	6.374	123	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:4:2:	C-4:Si-4:	C[6]-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CC[6]HH)(SiC3)	C(C[6]C[6]2H)(OSi)(H)2	Si(CC3)(CH3)2(OC)	O(CC[6]HH)(SiC3)	C(C[6]C[6]2H)(OSi)(H)2	Si(CC3)(CH3)2(OC)	126.8346	1.500	5	126.8346	2.249	5	125.4018	7.496	22	125.3086	6.374	123	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:4:2:	C-4:Si-4:	C[6]-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CC[6]HH)(SiC3)	C(C[6]C[6]N[6]H)(OSi)(H)2	Si(CC3)(CH3)2(OC)	O(CC[6]HH)(SiC3)	C(C[6]C[6]N[6]H)(OSi)(H)2	Si(CC3)(CH3)2(OC)	122.7710	0.000	1	122.7710	0.000	1	125.4018	7.496	22	125.3086	6.374	123	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:4:2:	C-4:Si-4:	C[6]-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CC[6]HH)(SiC3)	C(C[6]C[6]N[6]H)(OSi)(H)2	Si(CCCH)3(OC)	O(CC[6]HH)(SiC3)	C(C[6]C[6]N[6]H)(OSi)(H)2	Si(CCCH)3(OC)	123.7700	0.000	1	123.7700	0.000	1	125.4018	7.496	22	125.3086	6.374	123	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:4:2:	C-4:Si-4:	C[6]-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CC[6]HH)(SiC3)	C(C[6]C[6]O[6]H)(OSi)(H)2	Si(CC3)(CH3)2(OC)	O(CC[6]HH)(SiC3)	C(C[6]C[6]O[6]H)(OSi)(H)2	Si(CC3)(CH3)2(OC)	121.1260	3.103	3	121.1260	9.626	3	125.4018	7.496	22	125.3086	6.374	123	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:1:1:	4:4:4:2:	C-4:Si-4:	C[6]-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CC[6]HH)(SiC3)	C(C[6]C[6]O[6]H)(OSi)(H)2	Si(CCCH)3(OC)	O(CC[6]HH)(SiC3)	C(C[6]C[6]O[6]H)(OSi)(H)2	Si(CCCH)3(OC)	127.3900	0.284	2	127.3900	0.081	2	125.4018	7.496	22	125.3086	6.374	123	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:2:2:1:	4:4:4:2:	C-4:Si-4:	C[6]-4:O-2:C-2:H-1:	C-4:C-4:C-4:O-2:	O(CC[6]CH)(SiC3)	C(C[6]C[5,6]C[6]H)(OSi)(CC)(H)	Si(CC3)(CH3)2(OC)	O(CC[6]CH)(SiC3)	C(C[6]C[5,6]C[6]H)(OSi)(CC)(H)	Si(CC3)(CH3)2(OC)	125.0740	0.000	1	125.0740	0.000	1	125.0740	0.000	1	125.0740	0.000	1	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:3:2:1:	3:3:3:2:	Si-4:C-4:	C-4:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	O(SiC[6a]3)(CCCH)	C(CC[6a]HN)(COO)(OSi)(H)	Si(C[6a]C[6a]2)3(OC)	O(SiC[6a]3)(CCCH)	C(CC[6a]HN)(COO)(OSi)(H)	Si(C[6a]C[6a]2)3(OC)	124.6355	0.868	2	124.6355	0.753	2	124.6355	0.753	2	124.6355	0.753	2	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:3:2:1:	3:3:4:2:	Si-4:C-4:	C-4:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	O(SiC[6a]2C)(CCCH)	C(CCHH)(CCH)(OSi)(H)	Si(C[6a]C[6a]2)2(CC3)(OC)	O(SiC[6a]2C)(CCCH)	C(CCHH)(CCH)(OSi)(H)	Si(C[6a]C[6a]2)2(CC3)(OC)	125.0740	0.000	1	125.0740	0.000	1	125.0740	0.000	1	125.0740	0.000	1	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:3:2:1:	4:4:2:2:	Si-4:C-4:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:O-2:	O(SiCCO)(CCCH)	C(CCHH)(CCO)(OSi)(H)	Si(CC3)2(OC)2	O(SiCCO)(CCCH)	C(CCHH)(CCO)(OSi)(H)	Si(CC3)2(OC)2	129.5620	0.000	1	129.5620	0.000	1	136.5030	37.699	3	136.5030	37.699	3	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:3:2:1:	4:4:2:2:	Si-4:C-4:	C-4:C-3:O-2:H-1:	C-4:C-4:O-2:O-2:	O(SiCCO)(CCCH)	C(CCHH)(COO)(OSi)(H)	Si(CC3)2(OC)2	O(SiCCO)(CCCH)	C(CCHH)(COO)(OSi)(H)	Si(CC3)2(OC)2	139.9735	1.770	2	139.9735	3.133	2	136.5030	37.699	3	136.5030	37.699	3	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:3:2:1:	4:4:4:2:	C-4:Si-4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CCCH)(SiC3)	C(CCCH)(CCC)(OSi)(H)	Si(CCHH)3(OC)	O(CCCH)(SiC3)	C(CCCH)(CCC)(OSi)(H)	Si(CCHH)3(OC)	124.6430	0.000	1	124.6430	0.000	1	125.6416	6.137	13	125.8295	7.470	31	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:3:2:1:	4:4:4:2:	C-4:Si-4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CCCH)(SiC3)	C(CCCH)(CCH)(OSi)(H)	Si(CC3)(CH3)2(OC)	O(CCCH)(SiC3)	C(CCCH)(CCH)(OSi)(H)	Si(CC3)(CH3)2(OC)	123.2795	0.310	2	123.2795	0.096	2	125.6416	6.137	13	125.8295	7.470	31	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:3:2:1:	4:4:4:2:	C-4:Si-4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CCCH)(SiC3)	C(CCCH)(CCN)(OSi)(H)	Si(CH3)3(OC)	O(CCCH)(SiC3)	C(CCCH)(CCN)(OSi)(H)	Si(CH3)3(OC)	124.0590	0.000	1	124.0590	0.000	1	125.6416	6.137	13	125.8295	7.470	31	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:3:2:1:	4:4:4:2:	C-4:Si-4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CCCH)(SiC3)	C(CCHH)(COO)(OSi)(H)	Si(CCCH)3(OC)	O(CCCH)(SiC3)	C(CCHH)(COO)(OSi)(H)	Si(CCCH)3(OC)	126.4290	0.000	1	126.4290	0.000	1	125.6416	6.137	13	125.8295	7.470	31	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:3:2:1:	4:4:4:2:	C-4:Si-4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CCCH)(SiC3)	C(CCHO)(CCC)(OSi)(H)	Si(CC3)(CH3)2(OC)	O(CCCH)(SiC3)	C(CCHO)(CCC)(OSi)(H)	Si(CC3)(CH3)2(OC)	126.9820	0.000	1	126.9820	0.000	1	125.6416	6.137	13	125.8295	7.470	31	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:3:2:1:	4:4:4:2:	C-4:Si-4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CCCH)(SiC3)	C(CCHO)(CCO)(OSi)(H)	Si(CC3)(CH3)2(OC)	O(CCCH)(SiC3)	C(CCHO)(CCO)(OSi)(H)	Si(CC3)(CH3)2(OC)	125.1232	3.312	4	125.1232	10.968	4	125.6416	6.137	13	125.8295	7.470	31	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:3:2:1:	4:4:4:2:	C-4:Si-4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CCCH)(SiC3)	C(CC[6a]CH)(CCH)(OSi)(H)	Si(CCHH)(CC3)2(OC)	O(CCCH)(SiC3)	C(CC[6a]CH)(CCH)(OSi)(H)	Si(CCHH)(CC3)2(OC)	127.7530	0.000	1	127.7530	0.000	1	125.6416	6.137	13	125.8295	7.470	31	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:3:2:1:	4:4:4:2:	C-4:Si-4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CCCH)(SiC3)	C(CH3)(CNO)(OSi)(H)	Si(CC3)(CH3)2(OC)	O(CCCH)(SiC3)	C(CH3)(CNO)(OSi)(H)	Si(CC3)(CH3)2(OC)	129.7640	0.000	1	129.7640	0.000	1	125.6416	6.137	13	125.8295	7.470	31	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:3:2:1:	4:4:4:2:	C-4:Si-4:	C-4:C-3:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CCCH)(SiC3)	C(CN[5]CH)(COO)(OSi)(H)	Si(CC3)(CH3)2(OC)	O(CCCH)(SiC3)	C(CN[5]CH)(COO)(OSi)(H)	Si(CC3)(CH3)2(OC)	126.6590	0.000	1	126.6590	0.000	1	125.6416	6.137	13	125.8295	7.470	31	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:3:2:1:	4:4:4:2:	C-4:Si-4:	C-4:C[6a]-3:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CC[6a]CH)(SiC3)	C(CC[6a]N[6]H)(C[6a]C[6a]2)(OSi)(H)	Si(CC3)(CH3)2(OC)	O(CC[6a]CH)(SiC3)	C(CC[6a]N[6]H)(C[6a]C[6a]2)(OSi)(H)	Si(CC3)(CH3)2(OC)	126.4900	1.392	2	126.4900	1.937	2	126.4900	1.937	2	125.8295	7.470	31	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:3:2:1:	4:4:4:2:	C-4:Si-4:	C[3]-4:C[6a]-3:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CC[6a]C[3]H)(SiC3)	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(OSi)(H)	Si(CC3)(CH3)2(OC)	O(CC[6a]C[3]H)(SiC3)	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(OSi)(H)	Si(CC3)(CH3)2(OC)	121.0270	0.000	1	121.0270	0.000	1	121.0270	0.000	1	125.8295	7.470	31	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:3:2:1:	4:4:4:2:	C-4:Si-4:	C[5,6]-4:C[6a]-3:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CC[5,6]C[6a]H)(SiC3)	C(C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]2)(OSi)(H)	Si(CCHH)3(OC)	O(CC[5,6]C[6a]H)(SiC3)	C(C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]2)(OSi)(H)	Si(CCHH)3(OC)	126.2425	0.774	2	126.2425	0.600	2	126.2425	0.600	2	125.8295	7.470	31	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:3:2:1:	4:4:4:2:	C-4:Si-4:	C[5]-4:C-3:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CC[5]CH)(SiC3)	C(C[5]C[5]2H)(COO)(OSi)(H)	Si(CC3)(CH3)2(OC)	O(CC[5]CH)(SiC3)	C(C[5]C[5]2H)(COO)(OSi)(H)	Si(CC3)(CH3)2(OC)	127.5180	0.000	1	127.5180	0.000	1	127.5180	0.000	1	125.8295	7.470	31	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:3:2:1:	4:4:4:2:	C-4:Si-4:	C[6,6]-4:C[6]-3:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CC[6,6]C[6]H)(SiC3)	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OSi)(H)	Si(CC3)(CH3)2(OC)	O(CC[6,6]C[6]H)(SiC3)	C(C[6,6]C[6,6]N[3x6]H)(C[6]C[6,6a]C[6])(OSi)(H)	Si(CC3)(CH3)2(OC)	123.7290	0.000	1	123.7290	0.000	1	123.7290	0.000	1	125.8295	7.470	31	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:3:2:1:	4:4:4:2:	C-4:Si-4:	C[6]-4:C-3:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CC[6]CH)(SiC3)	C(C[6]C[6]2H)(CCC)(OSi)(H)	Si(CC3)(CH3)2(OC)	O(CC[6]CH)(SiC3)	C(C[6]C[6]2H)(CCC)(OSi)(H)	Si(CC3)(CH3)2(OC)	121.8585	4.772	2	121.8585	22.775	2	125.7354	9.472	9	125.8295	7.470	31	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:3:2:1:	4:4:4:2:	C-4:Si-4:	C[6]-4:C-3:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CC[6]CH)(SiC3)	C(C[6]C[6]2H)(CCH)(OSi)(H)	Si(CC3)(CH3)2(OC)	O(CC[6]CH)(SiC3)	C(C[6]C[6]2H)(CCH)(OSi)(H)	Si(CC3)(CH3)2(OC)	127.0795	0.846	2	127.0795	0.716	2	125.7354	9.472	9	125.8295	7.470	31	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:3:2:1:	4:4:4:2:	C-4:Si-4:	C[6]-4:C-3:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CC[6]CH)(SiC3)	C(C[6]C[6]2H)(COO)(OSi)(H)	Si(CC3)(CH3)2(OC)	O(CC[6]CH)(SiC3)	C(C[6]C[6]2H)(COO)(OSi)(H)	Si(CC3)(CH3)2(OC)	124.4110	0.000	1	124.4110	0.000	1	125.7354	9.472	9	125.8295	7.470	31	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:3:2:1:	4:4:4:2:	C-4:Si-4:	C[6]-4:C-3:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CC[6]CH)(SiC3)	C(C[6]C[6]O[6]N)(CCH)(OSi)(H)	Si(CC3)(CH3)2(OC)	O(CC[6]CH)(SiC3)	C(C[6]C[6]O[6]N)(CCH)(OSi)(H)	Si(CC3)(CH3)2(OC)	127.3330	1.488	4	127.3330	2.215	4	125.7354	9.472	9	125.8295	7.470	31	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:3:2:1:	4:4:4:2:	C-4:Si-4:	C[6]-4:C[6]-3:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CC[6]2H)(SiC3)	C(C[6]C[6]O[6]C)(C[6]C[6]2)(OSi)(H)	Si(CCHH)3(OC)	O(CC[6]2H)(SiC3)	C(C[6]C[6]O[6]C)(C[6]C[6]2)(OSi)(H)	Si(CCHH)3(OC)	129.0075	4.457	2	129.0075	19.864	2	129.0075	19.864	2	125.8295	7.470	31	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:3:2:2:	4:4:4:2:	C-4:Si-4:	C[5]-4:C[6a]-3:O-2:C-2:	C-4:C-4:C-4:O-2:	O(CC[6a]C[5]C)(SiC3)	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(OSi)(CN)	Si(CH3)3(OC)	O(CC[6a]C[5]C)(SiC3)	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(OSi)(CN)	Si(CH3)3(OC)	131.6450	0.000	1	131.6450	0.000	1	131.6450	0.000	1	131.6450	0.000	1	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:3:3:2:	4:4:4:2:	C-4:Si-4:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C-4:C-4:O-2:	O(CC[6a]2C[5])(SiC3)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OSi)	Si(CC3)(CH3)2(OC)	O(CC[6a]2C[5])(SiC3)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OSi)	Si(CC3)(CH3)2(OC)	133.9400	0.528	2	133.9400	0.278	2	136.0318	3.876	6	139.4526	38.700	16	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:3:3:2:	4:4:4:2:	C-4:Si-4:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C-4:C-4:O-2:	O(CC[6a]2C[5])(SiC3)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OSi)	Si(CH3)3(OC)	O(CC[6a]2C[5])(SiC3)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OSi)	Si(CH3)3(OC)	137.4587	1.455	3	137.4587	2.116	3	136.0318	3.876	6	139.4526	38.700	16	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:3:3:2:	4:4:4:2:	C-4:Si-4:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C-4:C-4:O-2:	O(CC[6a]2C[5])(SiC3)	C(C[5]N[5,5]C[5]H)(C[6a]C[6a]2)2(OSi)	Si(CC3)(CH3)2(OC)	O(CC[6a]2C[5])(SiC3)	C(C[5]N[5,5]C[5]H)(C[6a]C[6a]2)2(OSi)	Si(CC3)(CH3)2(OC)	135.9350	0.000	1	135.9350	0.000	1	136.0318	3.876	6	139.4526	38.700	16	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:3:3:2:	4:4:4:2:	C-4:Si-4:	C[6]-4:C[6a]-3:C-3:O-2:	C-4:C-4:C-4:O-2:	O(CC[6a]C[6]C)(SiC3)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCH)(OSi)	Si(CC3)(CH3)2(OC)	O(CC[6a]C[6]C)(SiC3)	C(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCH)(OSi)	Si(CC3)(CH3)2(OC)	138.7240	0.000	1	138.7240	0.000	1	138.7240	0.000	1	139.4526	38.700	16	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:3:3:2:	4:4:4:2:	C-4:Si-4:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C-4:C-4:O-2:	O(CC[6a]2C[6])(SiC3)	C(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)2(OSi)	Si(CH3)3(OC)	O(CC[6a]2C[6])(SiC3)	C(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)2(OSi)	Si(CH3)3(OC)	138.4160	0.000	1	138.4160	0.000	1	142.2134	61.244	8	139.4526	38.700	16	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:3:3:2:	4:4:4:2:	C-4:Si-4:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C-4:C-4:O-2:	O(CC[6a]2C[6])(SiC3)	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)2(OSi)	Si(CH3)3(OC)	O(CC[6a]2C[6])(SiC3)	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)2(OSi)	Si(CH3)3(OC)	154.4045	1.887	2	154.4045	3.562	2	142.2134	61.244	8	139.4526	38.700	16	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:3:3:2:	4:4:4:2:	C-4:Si-4:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C-4:C-4:O-2:	O(CC[6a]2C[6])(SiC3)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OSi)	Si(CH3)3(OC)	O(CC[6a]2C[6])(SiC3)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)2(OSi)	Si(CH3)3(OC)	137.2620	2.039	3	137.2620	4.158	3	142.2134	61.244	8	139.4526	38.700	16	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:3:3:2:	4:4:4:2:	C-4:Si-4:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C-4:C-4:O-2:	O(CC[6a]2C[6])(SiC3)	C(C[6]C[6]O[6]N)(C[6a]C[6a]2)2(OSi)	Si(CH3)3(OC)	O(CC[6a]2C[6])(SiC3)	C(C[6]C[6]O[6]N)(C[6a]C[6a]2)2(OSi)	Si(CH3)3(OC)	142.1040	0.000	1	142.1040	0.000	1	142.2134	61.244	8	139.4526	38.700	16	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:3:3:2:	4:4:4:2:	C-4:Si-4:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C-4:C-4:O-2:	O(CC[6a]2C[6])(SiC3)	C(C[6]N[5,6]C[6]H)(C[6a]C[6a]2)2(OSi)	Si(CH3)3(OC)	O(CC[6a]2C[6])(SiC3)	C(C[6]N[5,6]C[6]H)(C[6a]C[6a]2)2(OSi)	Si(CH3)3(OC)	136.5920	0.000	1	136.5920	0.000	1	142.2134	61.244	8	139.4526	38.700	16	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:3:3:2:	4:4:4:2:	Si-4:C-4:	C-4:C-3:C-3:O-2:	C-4:C-4:C-4:O-2:	O(SiC3)(CC3)	C(CCCO)(CCH)(COO)(OSi)	Si(CC3)(CH3)2(OC)	O(SiC3)(CC3)	C(CCCO)(CCH)(COO)(OSi)	Si(CC3)(CH3)2(OC)	138.6190	0.000	1	138.6190	0.000	1	138.6190	0.000	1	139.4526	38.700	16	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	2:2:2:1:	Si-4:C-4:	C-4:C-4:O-2:H-1:	O-2:O-2:O-2:S-1:	O(SiOOS)(CCCH)	C(CH3)2(OSi)(H)	Si(OC)3(S)	O(SiOOS)(CCCH)	C(CH3)2(OSi)(H)	Si(OC)3(S)	128.1130	6.479	4	128.1130	41.978	4	128.1130	41.978	4	128.1130	41.978	4	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	3:3:3:2:	Si-4:C-4:	C-4:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	O(SiC[6a]3)(CCCH)	C(CCHH)(CC3)(OSi)(H)	Si(C[6a]C[6a]2)3(OC)	O(SiC[6a]3)(CCCH)	C(CCHH)(CC3)(OSi)(H)	Si(C[6a]C[6a]2)3(OC)	131.8980	0.922	2	131.8980	0.850	2	128.3315	8.305	6	128.3315	8.305	6	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	3:3:3:2:	Si-4:C-4:	C-4:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	O(SiC[6a]3)(CCCH)	C(CCHH)(CH3)(OSi)(H)	Si(C[6a]C[6a]2)3(OC)	O(SiC[6a]3)(CCCH)	C(CCHH)(CH3)(OSi)(H)	Si(C[6a]C[6a]2)3(OC)	127.3200	0.218	2	127.3200	0.047	2	128.3315	8.305	6	128.3315	8.305	6	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	3:3:3:2:	Si-4:C-4:	C-4:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	O(SiC[6a]3)(CCCH)	C(CPdCH)(CCHH)(OSi)(H)	Si(C[6a]C[6a]2)3(OC)	O(SiC[6a]3)(CCCH)	C(CPdCH)(CCHH)(OSi)(H)	Si(C[6a]C[6a]2)3(OC)	125.7765	0.289	2	125.7765	0.084	2	128.3315	8.305	6	128.3315	8.305	6	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	3:3:4:2:	Si-4:C-4:	C-4:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	O(SiC[6a]2C)(CCCH)	C(CBrCH)(CHHS)(OSi)(H)	Si(C[6a]C[6a]2)2(CC3)(OC)	O(SiC[6a]2C)(CCCH)	C(CBrCH)(CHHS)(OSi)(H)	Si(C[6a]C[6a]2)2(CC3)(OC)	131.0555	3.245	2	131.0555	10.529	2	128.5358	12.080	4	129.1201	6.987	7	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	3:3:4:2:	Si-4:C-4:	C-4:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	O(SiC[6a]2C)(CCCH)	C(CCHH)(CCHO)(OSi)(H)	Si(C[6a]C[6a]2)2(CC3)(OC)	O(SiC[6a]2C)(CCCH)	C(CCHH)(CCHO)(OSi)(H)	Si(C[6a]C[6a]2)2(CC3)(OC)	126.4120	0.000	1	126.4120	0.000	1	128.5358	12.080	4	129.1201	6.987	7	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	3:3:4:2:	Si-4:C-4:	C-4:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	O(SiC[6a]2C)(CCCH)	C(CCHH)(CHHO)(OSi)(H)	Si(C[6a]C[6a]2)2(CC3)(OC)	O(SiC[6a]2C)(CCCH)	C(CCHH)(CHHO)(OSi)(H)	Si(C[6a]C[6a]2)2(CC3)(OC)	125.6200	0.000	1	125.6200	0.000	1	128.5358	12.080	4	129.1201	6.987	7	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	3:3:4:2:	Si-4:C-4:	C[5]-4:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	O(SiC[6a]2C)(CC[5]CH)	C(C[5]C[5]2H)(CH3)(OSi)(H)	Si(C[6a]C[6a]2)2(CC3)(OC)	O(SiC[6a]2C)(CC[5]CH)	C(C[5]C[5]2H)(CH3)(OSi)(H)	Si(C[6a]C[6a]2)2(CC3)(OC)	128.6240	0.000	1	128.6240	0.000	1	128.6240	0.000	1	129.1201	6.987	7	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	3:3:4:2:	Si-4:C-4:	C[6]-4:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	O(SiC[6a]2C)(CC[6]CH)	C(C[6]C[6]2H)(CCHH)(OSi)(H)	Si(C[6a]C[6a]2)2(CC3)(OC)	O(SiC[6a]2C)(CC[6]CH)	C(C[6]C[6]2H)(CCHH)(OSi)(H)	Si(C[6a]C[6a]2)2(CC3)(OC)	130.3720	0.000	1	130.3720	0.000	1	130.5370	0.054	2	129.1201	6.987	7	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	3:3:4:2:	Si-4:C-4:	C[6]-4:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	O(SiC[6a]2C)(CC[6]CH)	C(C[6]C[6]2H)(CH3)(OSi)(H)	Si(C[6a]C[6a]2)2(CC3)(OC)	O(SiC[6a]2C)(CC[6]CH)	C(C[6]C[6]2H)(CH3)(OSi)(H)	Si(C[6a]C[6a]2)2(CC3)(OC)	130.7020	0.000	1	130.7020	0.000	1	130.5370	0.054	2	129.1201	6.987	7	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	4:2:2:2:	Si-4:C-4:	C-4:C-4:O-2:H-1:	C-4:O-2:O-2:O-2:	O(SiCOO)(CCCH)	C(CHHN)(CH3)(OSi)(H)	Si(CCHH)(OC)3	O(SiCOO)(CCCH)	C(CHHN)(CH3)(OSi)(H)	Si(CCHH)(OC)3	123.1730	1.613	5	123.1730	2.601	5	123.1730	2.601	5	123.1730	2.601	5	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	4:4:2:2:	C-4:Si-4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:O-2:O-2:	O(CC[6]CH)(SiCCO)	C(C[6]C[3,6]C[6]H)(CCCH)(OSi)(H)	Si(CC3)2(OC)2	O(CC[6]CH)(SiCCO)	C(C[6]C[3,6]C[6]H)(CCCH)(OSi)(H)	Si(CC3)2(OC)2	142.6480	0.000	1	142.6480	0.000	1	141.3280	3.485	2	140.9686	1.472	5	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	4:4:2:2:	C-4:Si-4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:O-2:O-2:	O(CC[6]CH)(SiCCO)	C(C[6]C[6]2H)(CCCH)(OSi)(H)	Si(CC3)2(OC)2	O(CC[6]CH)(SiCCO)	C(C[6]C[6]2H)(CCCH)(OSi)(H)	Si(CC3)2(OC)2	140.0080	0.000	1	140.0080	0.000	1	141.3280	3.485	2	140.9686	1.472	5	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	4:4:2:2:	Si-4:C-4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:O-2:	O(SiCCO)(CCCH)	C(CCCH)(CCCO)(OSi)(H)	Si(CC3)2(OC)2	O(SiCCO)(CCCH)	C(CCCH)(CCCO)(OSi)(H)	Si(CC3)2(OC)2	140.1555	0.015	2	140.1555	0.000	2	140.7290	0.987	3	140.9686	1.472	5	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	4:4:2:2:	Si-4:C-4:	C-4:C-4:O-2:H-1:	C-4:C-4:O-2:O-2:	O(SiCCO)(CCCH)	C(CC[6a]CH)(CCCH)(OSi)(H)	Si(CC3)2(OC)2	O(SiCCO)(CCCH)	C(CC[6a]CH)(CCCH)(OSi)(H)	Si(CC3)2(OC)2	141.8760	0.000	1	141.8760	0.000	1	140.7290	0.987	3	140.9686	1.472	5	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	4:4:4:2:	C-4:Si-4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CCCH)(SiC3)	C(CCCH)(CCCN)(OSi)(H)	Si(CC3)(CH3)2(OC)	O(CCCH)(SiC3)	C(CCCH)(CCCN)(OSi)(H)	Si(CC3)(CH3)2(OC)	128.6830	0.000	1	128.6830	0.000	1	126.5399	5.723	40	127.7237	7.772	75	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	4:4:4:2:	C-4:Si-4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CCCH)(SiC3)	C(CCCH)(CCHH)(OSi)(H)	Si(CC3)(CH3)2(OC)	O(CCCH)(SiC3)	C(CCCH)(CCHH)(OSi)(H)	Si(CC3)(CH3)2(OC)	126.3309	1.606	14	126.3309	2.580	14	126.5399	5.723	40	127.7237	7.772	75	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	4:4:4:2:	C-4:Si-4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CCCH)(SiC3)	C(CCCH)(CHHO)(OSi)(H)	Si(CC3)(CH3)2(OC)	O(CCCH)(SiC3)	C(CCCH)(CHHO)(OSi)(H)	Si(CC3)(CH3)2(OC)	127.8910	0.000	1	127.8910	0.000	1	126.5399	5.723	40	127.7237	7.772	75	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	4:4:4:2:	C-4:Si-4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CCCH)(SiC3)	C(CCCH)2(OSi)(H)	Si(CC3)(CH3)2(OC)	O(CCCH)(SiC3)	C(CCCH)2(OSi)(H)	Si(CC3)(CH3)2(OC)	125.5878	0.895	6	125.5878	0.802	6	126.5399	5.723	40	127.7237	7.772	75	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	4:4:4:2:	C-4:Si-4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CCCH)(SiC3)	C(CCCH)2(OSi)(H)	Si(CCHH)3(OC)	O(CCCH)(SiC3)	C(CCCH)2(OSi)(H)	Si(CCHH)3(OC)	130.4520	0.000	2	130.4520	0.000	2	126.5399	5.723	40	127.7237	7.772	75	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	4:4:4:2:	C-4:Si-4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CCCH)(SiC3)	C(CCCN)(CCHH)(OSi)(H)	Si(CC3)(CH3)2(OC)	O(CCCH)(SiC3)	C(CCCN)(CCHH)(OSi)(H)	Si(CC3)(CH3)2(OC)	123.8150	0.000	1	123.8150	0.000	1	126.5399	5.723	40	127.7237	7.772	75	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	4:4:4:2:	C-4:Si-4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CCCH)(SiC3)	C(CCCO)(CCHO)(OSi)(H)	Si(CH3)3(OC)	O(CCCH)(SiC3)	C(CCCO)(CCHO)(OSi)(H)	Si(CH3)3(OC)	125.3100	0.000	1	125.3100	0.000	1	126.5399	5.723	40	127.7237	7.772	75	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	4:4:4:2:	C-4:Si-4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CCCH)(SiC3)	C(CCHH)(CC3)(OSi)(H)	Si(CC3)(CH3)2(OC)	O(CCCH)(SiC3)	C(CCHH)(CC3)(OSi)(H)	Si(CC3)(CH3)2(OC)	132.0270	0.000	1	132.0270	0.000	1	126.5399	5.723	40	127.7237	7.772	75	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	4:4:4:2:	C-4:Si-4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CCCH)(SiC3)	C(CCHH)(CCHO)(OSi)(H)	Si(CC3)(CH3)2(OC)	O(CCCH)(SiC3)	C(CCHH)(CCHO)(OSi)(H)	Si(CC3)(CH3)2(OC)	125.1630	0.368	2	125.1630	0.135	2	126.5399	5.723	40	127.7237	7.772	75	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	4:4:4:2:	C-4:Si-4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CCCH)(SiC3)	C(CCHH)2(OSi)(H)	Si(CC3)(CH3)2(OC)	O(CCCH)(SiC3)	C(CCHH)2(OSi)(H)	Si(CC3)(CH3)2(OC)	128.4940	0.000	1	128.4940	0.000	1	126.5399	5.723	40	127.7237	7.772	75	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	4:4:4:2:	C-4:Si-4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CCCH)(SiC3)	C(CCHN)(CCHO)(OSi)(H)	Si(CC3)(CH3)2(OC)	O(CCCH)(SiC3)	C(CCHN)(CCHO)(OSi)(H)	Si(CC3)(CH3)2(OC)	129.7540	0.000	1	129.7540	0.000	1	126.5399	5.723	40	127.7237	7.772	75	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	4:4:4:2:	C-4:Si-4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CCCH)(SiC3)	C(CCHO)(CH3)(OSi)(H)	Si(CC3)(CH3)2(OC)	O(CCCH)(SiC3)	C(CCHO)(CH3)(OSi)(H)	Si(CC3)(CH3)2(OC)	122.1203	1.827	3	122.1203	3.336	3	126.5399	5.723	40	127.7237	7.772	75	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	4:4:4:2:	C-4:Si-4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CCCH)(SiC3)	C(CCHO)(CHHN)(OSi)(H)	Si(CC3)(CH3)2(OC)	O(CCCH)(SiC3)	C(CCHO)(CHHN)(OSi)(H)	Si(CC3)(CH3)2(OC)	126.7050	0.000	1	126.7050	0.000	1	126.5399	5.723	40	127.7237	7.772	75	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	4:4:4:2:	C-4:Si-4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CCCH)(SiC3)	C(CCHO)2(OSi)(H)	Si(CC3)(CH3)2(OC)	O(CCCH)(SiC3)	C(CCHO)2(OSi)(H)	Si(CC3)(CH3)2(OC)	127.3740	0.000	1	127.3740	0.000	1	126.5399	5.723	40	127.7237	7.772	75	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	4:4:4:2:	C-4:Si-4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CCCH)(SiC3)	C(CC[6]CC)(CCHH)(OSi)(H)	Si(CC3)(CH3)2(OC)	O(CCCH)(SiC3)	C(CC[6]CC)(CCHH)(OSi)(H)	Si(CC3)(CH3)2(OC)	128.7645	0.006	2	128.7645	0.000	2	126.5399	5.723	40	127.7237	7.772	75	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	4:4:4:2:	C-4:Si-4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CCCH)(SiC3)	C(CH3)2(OSi)(H)	Si(CC[5,6,6]HH)(CH3)2(OC)	O(CCCH)(SiC3)	C(CH3)2(OSi)(H)	Si(CC[5,6,6]HH)(CH3)2(OC)	125.0280	0.000	1	125.0280	0.000	1	126.5399	5.723	40	127.7237	7.772	75	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	4:4:4:2:	C-4:Si-4:	C-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CCCH)(SiC3)	C(CN[6a]HS)(CCCH)(OSi)(H)	Si(CC3)(CH3)2(OC)	O(CCCH)(SiC3)	C(CN[6a]HS)(CCCH)(OSi)(H)	Si(CC3)(CH3)2(OC)	129.2360	0.000	1	129.2360	0.000	1	126.5399	5.723	40	127.7237	7.772	75	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	4:4:4:2:	C-4:Si-4:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CC[3]CH)(SiC3)	C(C[3]C[3]O[3]H)(CCCH)(OSi)(H)	Si(CC3)(CH3)2(OC)	O(CC[3]CH)(SiC3)	C(C[3]C[3]O[3]H)(CCCH)(OSi)(H)	Si(CC3)(CH3)2(OC)	130.3955	4.484	2	130.3955	20.104	2	130.0573	10.395	3	127.7237	7.772	75	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	4:4:4:2:	C-4:Si-4:	C[3]-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CC[3]CH)(SiC3)	C(C[3]C[3]O[3]H)(CCCO)(OSi)(H)	Si(CC3)(CH3)2(OC)	O(CC[3]CH)(SiC3)	C(C[3]C[3]O[3]H)(CCCO)(OSi)(H)	Si(CC3)(CH3)2(OC)	129.3810	0.000	1	129.3810	0.000	1	130.0573	10.395	3	127.7237	7.772	75	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	4:4:4:2:	C-4:Si-4:	C[3x6]-4:Si-4:O-2:H-1:	Si-4:C-4:C-4:O-2:	O(CC[3x6]SiH)(SiSiCC)	C(C[3x6]C[6,6]3)(SiSi2O)(OSi)(H)	Si(SiSiCC)(CH3)2(OC)	O(CC[3x6]SiH)(SiSiCC)	C(C[3x6]C[6,6]3)(SiSi2O)(OSi)(H)	Si(SiSiCC)(CH3)2(OC)	128.4910	0.000	1	128.4910	0.000	1	128.4910	0.000	1	127.7237	7.772	75	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	4:4:4:2:	C-4:Si-4:	C[3x6]-4:Si[6]-4:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CC[3x6]Si[6]H)(SiC3)	C(C[3x6]C[6,6]3)(Si[6]Si[6]2O)(OSi)(H)	Si(CH3)3(OC)	O(CC[3x6]Si[6]H)(SiC3)	C(C[3x6]C[6,6]3)(Si[6]Si[6]2O)(OSi)(H)	Si(CH3)3(OC)	128.4000	0.000	1	128.4000	0.000	1	128.4000	0.000	1	127.7237	7.772	75	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	4:4:4:2:	C-4:Si-4:	C[4]-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CC[4]CH)(SiC3)	C(C[4]C[4,6]C[4]H)(CH3)(OSi)(H)	Si(CC3)(CH3)2(OC)	O(CC[4]CH)(SiC3)	C(C[4]C[4,6]C[4]H)(CH3)(OSi)(H)	Si(CC3)(CH3)2(OC)	127.7950	0.000	1	127.7950	0.000	1	126.8465	1.799	2	127.7237	7.772	75	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	4:4:4:2:	C-4:Si-4:	C[4]-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CC[4]CH)(SiC3)	C(C[4]C[4]2H)(CH3)(OSi)(H)	Si(CC3)(CH3)2(OC)	O(CC[4]CH)(SiC3)	C(C[4]C[4]2H)(CH3)(OSi)(H)	Si(CC3)(CH3)2(OC)	125.8980	0.000	1	125.8980	0.000	1	126.8465	1.799	2	127.7237	7.772	75	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	4:4:4:2:	C-4:Si-4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CC[5]CH)(SiC3)	C(C[5]C[5,6]O[5]H)(CCHH)(OSi)(H)	Si(CC3)(CH3)2(OC)	O(CC[5]CH)(SiC3)	C(C[5]C[5,6]O[5]H)(CCHH)(OSi)(H)	Si(CC3)(CH3)2(OC)	126.8680	0.000	1	126.8680	0.000	1	129.8897	7.148	7	127.7237	7.772	75	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	4:4:4:2:	C-4:Si-4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CC[5]CH)(SiC3)	C(C[5]C[5,6a]C[5]O)(CCHO)(OSi)(H)	Si(CCHH)3(OC)	O(CC[5]CH)(SiC3)	C(C[5]C[5,6a]C[5]O)(CCHO)(OSi)(H)	Si(CCHH)3(OC)	131.5020	1.752	2	131.5020	3.070	2	129.8897	7.148	7	127.7237	7.772	75	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	4:4:4:2:	C-4:Si-4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CC[5]CH)(SiC3)	C(C[5]C[5]2H)(CCHH)(OSi)(H)	Si(CCCH)3(OC)	O(CC[5]CH)(SiC3)	C(C[5]C[5]2H)(CCHH)(OSi)(H)	Si(CCCH)3(OC)	128.6520	0.000	1	128.6520	0.000	1	129.8897	7.148	7	127.7237	7.772	75	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	4:4:4:2:	C-4:Si-4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CC[5]CH)(SiC3)	C(C[5]C[5]N[5]H)(CCHH)(OSi)(H)	Si(CC3)(CH3)2(OC)	O(CC[5]CH)(SiC3)	C(C[5]C[5]N[5]H)(CCHH)(OSi)(H)	Si(CC3)(CH3)2(OC)	129.4660	0.000	1	129.4660	0.000	1	129.8897	7.148	7	127.7237	7.772	75	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	4:4:4:2:	C-4:Si-4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CC[5]CH)(SiC3)	C(C[5]C[5]O[5]H)(CCHH)(OSi)(H)	Si(CC3)(CH3)2(OC)	O(CC[5]CH)(SiC3)	C(C[5]C[5]O[5]H)(CCHH)(OSi)(H)	Si(CC3)(CH3)2(OC)	127.2490	0.000	1	127.2490	0.000	1	129.8897	7.148	7	127.7237	7.772	75	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	4:4:4:2:	C-4:Si-4:	C[5]-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CC[5]CH)(SiC3)	C(C[5]C[5]O[5]H)(CCHO)(OSi)(H)	Si(CC3)(CH3)2(OC)	O(CC[5]CH)(SiC3)	C(C[5]C[5]O[5]H)(CCHO)(OSi)(H)	Si(CC3)(CH3)2(OC)	133.9890	0.000	1	133.9890	0.000	1	129.8897	7.148	7	127.7237	7.772	75	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	4:4:4:2:	C-4:Si-4:	C[5]-4:C-4:O-2:H-1:	Si-4:Si-4:Si-4:O-2:	O(CC[5]CH)(SiSi3)	C(C[5]C[5]2H)(CC3)(OSi)(H)	Si(SiC3)3(OC)	O(CC[5]CH)(SiSi3)	C(C[5]C[5]2H)(CC3)(OSi)(H)	Si(SiC3)3(OC)	133.2180	0.000	1	133.2180	0.000	1	127.6977	22.959	3	127.7237	7.772	75	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	4:4:4:2:	C-4:Si-4:	C[5]-4:C-4:O-2:H-1:	Si-4:Si-4:Si-4:O-2:	O(CC[5]CH)(SiSi3)	C(C[5]C[5]2H)(CC[6a]CH)(OSi)(H)	Si(SiC3)3(OC)	O(CC[5]CH)(SiSi3)	C(C[5]C[5]2H)(CC[6a]CH)(OSi)(H)	Si(SiC3)3(OC)	124.9375	0.455	2	124.9375	0.207	2	127.6977	22.959	3	127.7237	7.772	75	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	4:4:4:2:	C-4:Si-4:	C[5]-4:C[6]-4:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CC[5]C[6]H)(SiC3)	C(C[5]C[5]O[5]H)(C[6]C[6]N[6]H)(OSi)(H)	Si(CC3)(CH3)2(OC)	O(CC[5]C[6]H)(SiC3)	C(C[5]C[5]O[5]H)(C[6]C[6]N[6]H)(OSi)(H)	Si(CC3)(CH3)2(OC)	130.2770	0.214	2	130.2770	0.046	2	130.2770	0.046	2	127.7237	7.772	75	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	4:4:4:2:	C-4:Si-4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CC[6]CH)(SiC3)	C(C[6]C[3,6]C[6]H)(CCCH)(OSi)(H)	Si(CC3)(CH3)2(OC)	O(CC[6]CH)(SiC3)	C(C[6]C[3,6]C[6]H)(CCCH)(OSi)(H)	Si(CC3)(CH3)2(OC)	126.4825	3.335	2	126.4825	11.125	2	128.7832	13.362	5	127.7237	7.772	75	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	4:4:4:2:	C-4:Si-4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CC[6]CH)(SiC3)	C(C[6]C[6]2H)(CC[4]HH)(OSi)(H)	Si(CC3)(CH3)2(OC)	O(CC[6]CH)(SiC3)	C(C[6]C[6]2H)(CC[4]HH)(OSi)(H)	Si(CC3)(CH3)2(OC)	129.5160	0.000	1	129.5160	0.000	1	128.7832	13.362	5	127.7237	7.772	75	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	4:4:4:2:	C-4:Si-4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CC[6]CH)(SiC3)	C(C[6]C[6]N[6]H)(CHHO)(OSi)(H)	Si(CC3)(CH3)2(OC)	O(CC[6]CH)(SiC3)	C(C[6]C[6]N[6]H)(CHHO)(OSi)(H)	Si(CC3)(CH3)2(OC)	127.2740	0.000	1	127.2740	0.000	1	128.7832	13.362	5	127.7237	7.772	75	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	4:4:4:2:	C-4:Si-4:	C[6]-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CC[6]CH)(SiC3)	C(C[6]S[6]2C)(CC[6]CH)(OSi)(H)	Si(CH3)3(OC)	O(CC[6]CH)(SiC3)	C(C[6]S[6]2C)(CC[6]CH)(OSi)(H)	Si(CH3)3(OC)	134.1610	0.000	1	134.1610	0.000	1	128.7832	13.362	5	127.7237	7.772	75	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	4:4:4:2:	C-4:Si-4:	C[6]-4:C-4:O-2:H-1:	Si-4:Si-4:Si-4:O-2:	O(CC[6]CH)(SiSi3)	C(C[6]C[6]2H)(CC3)(OSi)(H)	Si(SiC3)3(OC)	O(CC[6]CH)(SiSi3)	C(C[6]C[6]2H)(CC3)(OSi)(H)	Si(SiC3)3(OC)	131.0930	1.373	2	131.0930	1.886	2	130.3663	4.199	4	127.7237	7.772	75	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	4:4:4:2:	C-4:Si-4:	C[6]-4:C-4:O-2:H-1:	Si-4:Si-4:Si-4:O-2:	O(CC[6]CH)(SiSi3)	C(C[6]C[6]2H)(CCCH)(OSi)(H)	Si(SiC3)3(OC)	O(CC[6]CH)(SiSi3)	C(C[6]C[6]2H)(CCCH)(OSi)(H)	Si(SiC3)3(OC)	129.6395	2.932	2	129.6395	8.599	2	130.3663	4.199	4	127.7237	7.772	75	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	4:4:4:2:	C-4:Si-4:	Si-4:C-4:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CSiCH)(SiC3)	C(SiSi2N)(CC3)(OSi)(H)	Si(CH3)3(OC)	O(CSiCH)(SiC3)	C(SiSi2N)(CC3)(OSi)(H)	Si(CH3)3(OC)	130.3330	0.000	1	130.3330	0.000	1	130.3330	0.000	1	127.7237	7.772	75	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	4:4:4:2:	Si-4:C-4:	C-4:C-4:O-2:H-1:	Si-4:Si-4:Si-4:O-2:	O(SiSi3)(CCCH)	C(CBrCH)(CCFH)(OSi)(H)	Si(SiC3)3(OC)	O(SiSi3)(CCCH)	C(CBrCH)(CCFH)(OSi)(H)	Si(SiC3)3(OC)	129.9980	0.000	1	129.9980	0.000	1	127.9898	3.119	5	127.7237	7.772	75	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	4:4:4:2:	Si-4:C-4:	C-4:C-4:O-2:H-1:	Si-4:Si-4:Si-4:O-2:	O(SiSi3)(CCCH)	C(CCCH)2(OSi)(H)	Si(SiC3)3(OC)	O(SiSi3)(CCCH)	C(CCCH)2(OSi)(H)	Si(SiC3)3(OC)	127.9300	0.000	1	127.9300	0.000	1	127.9898	3.119	5	127.7237	7.772	75	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	4:4:4:2:	Si-4:C-4:	C-4:C-4:O-2:H-1:	Si-4:Si-4:Si-4:O-2:	O(SiSi3)(CCCH)	C(CCHH)(CC3)(OSi)(H)	Si(SiC3)3(OC)	O(SiSi3)(CCCH)	C(CCHH)(CC3)(OSi)(H)	Si(SiC3)3(OC)	129.4610	0.000	1	129.4610	0.000	1	127.9898	3.119	5	127.7237	7.772	75	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	4:4:4:2:	Si-4:C-4:	C-4:C-4:O-2:H-1:	Si-4:Si-4:Si-4:O-2:	O(SiSi3)(CCCH)	C(CCHH)2(OSi)(H)	Si(SiC3)3(OC)	O(SiSi3)(CCCH)	C(CCHH)2(OSi)(H)	Si(SiC3)3(OC)	125.8180	0.000	1	125.8180	0.000	1	127.9898	3.119	5	127.7237	7.772	75	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	4:4:4:2:	Si-4:C-4:	C-4:C-4:O-2:H-1:	Si-4:Si-4:Si-4:O-2:	O(SiSi3)(CCCH)	C(CC[6a]HH)(CCHO)(OSi)(H)	Si(SiC3)3(OC)	O(SiSi3)(CCCH)	C(CC[6a]HH)(CCHO)(OSi)(H)	Si(SiC3)3(OC)	126.7420	0.000	1	126.7420	0.000	1	127.9898	3.119	5	127.7237	7.772	75	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:1:	4:4:4:2:	Si-4:C-4:	Si-4:C-4:O-2:H-1:	Si-4:C-4:C-4:O-2:	O(SiSiCC)(CSiCH)	C(SiSi2O)(CC3)(OSi)(H)	Si(SiSiCC)(CH3)2(OC)	O(SiSiCC)(CSiCH)	C(SiSi2O)(CC3)(OSi)(H)	Si(SiSiCC)(CH3)2(OC)	128.3900	0.000	1	128.3900	0.000	1	128.3900	0.000	1	127.7237	7.772	75	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:2:	4:4:4:2:	C-4:Si-4:	C[6]-4:C-4:O-2:O-2:	C-4:C-4:C-4:O-2:	O(CC[6]CO)(SiC3)	C(C[6]C[6]N[6]H)(CCHH)(OSi)(OC)	Si(CH3)3(OC)	O(CC[6]CO)(SiC3)	C(C[6]C[6]N[6]H)(CCHH)(OSi)(OC)	Si(CH3)3(OC)	132.1760	0.000	1	132.1760	0.000	1	132.1760	0.000	1	132.2320	0.006	2	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:2:2:	4:4:4:2:	Si-4:C-4:	C-4:C-4:O-2:C-2:	C-4:C-4:C-4:O-2:	O(SiC3)(CC3)	C(CCHH)(CH3)(OSi)(CC)	Si(CC3)(CH3)2(OC)	O(SiC3)(CC3)	C(CCHH)(CH3)(OSi)(CC)	Si(CC3)(CH3)2(OC)	132.2880	0.000	1	132.2880	0.000	1	132.2880	0.000	1	132.2320	0.006	2	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:3:2:	4:4:4:2:	Si-4:C-4:	C-4:C-4:C-3:O-2:	C-4:C-4:C-4:O-2:	O(SiC3)(CC3)	C(CCCO)(CCHO)(COO)(OSi)	Si(CC3)(CH3)2(OC)	O(SiC3)(CC3)	C(CCCO)(CCHO)(COO)(OSi)	Si(CC3)(CH3)2(OC)	140.2943	3.198	3	140.2943	10.225	3	140.2794	71.457	5	140.2794	71.457	5	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:3:2:	4:4:4:2:	Si-4:C-4:	C-4:C-4:C-3:O-2:	C-4:C-4:C-4:O-2:	O(SiC3)(CC3)	C(CC[5a]CH)(CCHH)(COO)(OSi)	Si(CC3)(CH3)2(OC)	O(SiC3)(CC3)	C(CC[5a]CH)(CCHH)(COO)(OSi)	Si(CC3)(CH3)2(OC)	151.7760	0.000	1	151.7760	0.000	1	140.2794	71.457	5	140.2794	71.457	5	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:3:2:	4:4:4:2:	Si-4:C-4:	C-4:C-4:C-3:O-2:	C-4:C-4:C-4:O-2:	O(SiC3)(CC3)	C(CH3)2(CCN)(OSi)	Si(CH3)3(OC)	O(SiC3)(CC3)	C(CH3)2(CCN)(OSi)	Si(CH3)3(OC)	128.7380	0.000	1	128.7380	0.000	1	140.2794	71.457	5	140.2794	71.457	5	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:4:2:	2:2:2:1:	Si-4:C-4:	C-4:C-4:C-4:O-2:	O-2:O-2:O-2:S-1:	O(SiOOS)(CC3)	C(CH3)3(OSi)	Si(OC)3(S)	O(SiOOS)(CC3)	C(CH3)3(OSi)	Si(OC)3(S)	132.2649	1.896	12	132.2649	3.596	12	132.2649	3.596	12	132.2649	3.596	12	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:4:2:	2:2:2:2:	Si-4:C-4:	C-4:C-4:C-4:O-2:	O-2:O-2:O-2:O-2:	O(SiO3)(CC3)	C(CH3)3(OSi)	Si(OAl)(OC)3	O(SiO3)(CC3)	C(CH3)3(OSi)	Si(OAl)(OC)3	132.2277	2.109	3	132.2277	4.448	3	132.2401	5.693	112	132.2886	5.000	154	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:4:2:	2:2:2:2:	Si-4:C-4:	C-4:C-4:C-4:O-2:	O-2:O-2:O-2:O-2:	O(SiO3)(CC3)	C(CH3)3(OSi)	Si(OAl)(OGa)(OC)2	O(SiO3)(CC3)	C(CH3)3(OSi)	Si(OAl)(OGa)(OC)2	131.4700	0.959	2	131.4700	0.919	2	132.2401	5.693	112	132.2886	5.000	154	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:4:2:	2:2:2:2:	Si-4:C-4:	C-4:C-4:C-4:O-2:	O-2:O-2:O-2:O-2:	O(SiO3)(CC3)	C(CH3)3(OSi)	Si(OB)(OC)3	O(SiO3)(CC3)	C(CH3)3(OSi)	Si(OB)(OC)3	134.2453	2.649	6	134.2453	7.018	6	132.2401	5.693	112	132.2886	5.000	154	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:4:2:	2:2:2:2:	Si-4:C-4:	C-4:C-4:C-4:O-2:	O-2:O-2:O-2:O-2:	O(SiO3)(CC3)	C(CH3)3(OSi)	Si(OC)3(OH)	O(SiO3)(CC3)	C(CH3)3(OSi)	Si(OC)3(OH)	130.3050	1.878	3	130.3050	3.525	3	132.2401	5.693	112	132.2886	5.000	154	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:4:2:	2:2:2:2:	Si-4:C-4:	C-4:C-4:C-4:O-2:	O-2:O-2:O-2:O-2:	O(SiO3)(CC3)	C(CH3)3(OSi)	Si(OCr)(OC)3	O(SiO3)(CC3)	C(CH3)3(OSi)	Si(OCr)(OC)3	132.7644	2.511	27	132.7644	6.303	27	132.2401	5.693	112	132.2886	5.000	154	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:4:2:	2:2:2:2:	Si-4:C-4:	C-4:C-4:C-4:O-2:	O-2:O-2:O-2:O-2:	O(SiO3)(CC3)	C(CH3)3(OSi)	Si(OGa)(OC)3	O(SiO3)(CC3)	C(CH3)3(OSi)	Si(OGa)(OC)3	131.6239	1.881	36	131.6239	3.539	36	132.2401	5.693	112	132.2886	5.000	154	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:4:2:	2:2:2:2:	Si-4:C-4:	C-4:C-4:C-4:O-2:	O-2:O-2:O-2:O-2:	O(SiO3)(CC3)	C(CH3)3(OSi)	Si(OGa[6])(OC)2(OH)	O(SiO3)(CC3)	C(CH3)3(OSi)	Si(OGa[6])(OC)2(OH)	129.6010	0.204	2	129.6010	0.041	2	132.2401	5.693	112	132.2886	5.000	154	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:4:2:	2:2:2:2:	Si-4:C-4:	C-4:C-4:C-4:O-2:	O-2:O-2:O-2:O-2:	O(SiO3)(CC3)	C(CH3)3(OSi)	Si(OMo)(OC)3	O(SiO3)(CC3)	C(CH3)3(OSi)	Si(OMo)(OC)3	132.9891	2.373	12	132.9891	5.630	12	132.2401	5.693	112	132.2886	5.000	154	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:4:2:	2:2:2:2:	Si-4:C-4:	C-4:C-4:C-4:O-2:	O-2:O-2:O-2:O-2:	O(SiO3)(CC3)	C(CH3)3(OSi)	Si(OPt)(OC)3	O(SiO3)(CC3)	C(CH3)3(OSi)	Si(OPt)(OC)3	131.4232	2.292	12	131.4232	5.252	12	132.2401	5.693	112	132.2886	5.000	154	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:4:2:	2:2:2:2:	Si-4:C-4:	C-4:C-4:C-4:O-2:	O-2:O-2:O-2:O-2:	O(SiO3)(CC3)	C(CH3)3(OSi)	Si(OSn)(OC)3	O(SiO3)(CC3)	C(CH3)3(OSi)	Si(OSn)(OC)3	131.4280	1.505	6	131.4280	2.264	6	132.2401	5.693	112	132.2886	5.000	154	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:4:2:	2:2:2:2:	Si-4:C-4:	C-4:C-4:C-4:O-2:	O-2:O-2:O-2:O-2:	O(SiO3)(CC3)	C(CH3)3(OSi)	Si(OTi)(OC)3	O(SiO3)(CC3)	C(CH3)3(OSi)	Si(OTi)(OC)3	137.0210	1.065	3	137.0210	1.135	3	132.2401	5.693	112	132.2886	5.000	154	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:4:2:	2:2:2:2:	Si-4:C-4:	C-4:C-4:C-4:O-2:	S-2:O-2:O-2:O-2:	O(SiOOS)(CC3)	C(CH3)3(OSi)	Si(SCd)(OC)3	O(SiOOS)(CC3)	C(CH3)3(OSi)	Si(SCd)(OC)3	131.6908	1.343	6	131.6908	1.803	6	132.4178	3.224	42	132.2886	5.000	154	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:4:2:	2:2:2:2:	Si-4:C-4:	C-4:C-4:C-4:O-2:	S-2:O-2:O-2:O-2:	O(SiOOS)(CC3)	C(CH3)3(OSi)	Si(SCo)(OC)3	O(SiOOS)(CC3)	C(CH3)3(OSi)	Si(SCo)(OC)3	132.4524	1.842	33	132.4524	3.395	33	132.4178	3.224	42	132.2886	5.000	154	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:4:2:	2:2:2:2:	Si-4:C-4:	C-4:C-4:C-4:O-2:	S-2:O-2:O-2:O-2:	O(SiOOS)(CC3)	C(CH3)3(OSi)	Si(SCr)(OC)3	O(SiOOS)(CC3)	C(CH3)3(OSi)	Si(SCr)(OC)3	133.4917	1.986	3	133.4917	3.945	3	132.4178	3.224	42	132.2886	5.000	154	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:4:2:	3:2:2:2:	Si-4:C-4:	C-4:C-4:C-4:O-2:	N-3:O-2:O-2:O-2:	O(SiNOO)(CC3)	C(CH3)3(OSi)	Si(NC[6a]Ge)(OC)3	O(SiNOO)(CC3)	C(CH3)3(OSi)	Si(NC[6a]Ge)(OC)3	138.4527	2.817	3	138.4527	7.934	3	134.6928	11.773	9	134.7905	9.350	12	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:4:2:	3:2:2:2:	Si-4:C-4:	C-4:C-4:C-4:O-2:	N-3:O-2:O-2:O-2:	O(SiNOO)(CC3)	C(CH3)3(OSi)	Si(NSiH)(OC)3	O(SiNOO)(CC3)	C(CH3)3(OSi)	Si(NSiH)(OC)3	132.8128	1.715	6	132.8128	2.940	6	134.6928	11.773	9	134.7905	9.350	12	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:4:2:	3:2:2:2:	Si-4:C-4:	C-4:C-4:C-4:O-2:	O-3:O-2:O-2:O-2:	O(SiO3)(CC3)	C(CH3)3(OSi)	Si(OAl2)(OC)3	O(SiO3)(CC3)	C(CH3)3(OSi)	Si(OAl2)(OC)3	135.0837	2.040	3	135.0837	4.161	3	135.0837	4.161	3	134.7905	9.350	12	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:4:2:	3:3:3:2:	Si-4:C-4:	C-4:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	O(SiC[6a]3)(CC3)	C(CH3)3(OSi)	Si(C[6a]C[6a]2)3(OC)	O(SiC[6a]3)(CC3)	C(CH3)3(OSi)	Si(C[6a]C[6a]2)3(OC)	135.9790	0.000	1	135.9790	0.000	1	135.9790	0.000	1	135.9790	0.000	1	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:4:2:	3:3:4:2:	Si-4:C-4:	C-4:C-4:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:O-2:	O(SiC[6a]2C)(CC3)	C(CCHO)2(CH3)(OSi)	Si(C[6a]C[6a]2)2(CC3)(OC)	O(SiC[6a]2C)(CC3)	C(CCHO)2(CH3)(OSi)	Si(C[6a]C[6a]2)2(CC3)(OC)	135.4280	0.000	1	135.4280	0.000	1	135.4280	0.000	1	135.4280	0.000	1	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:4:2:	4:2:2:2:	Si-4:C-4:	C-4:C-4:C-4:O-2:	C-4:O-2:O-2:O-2:	O(SiCOO)(CC3)	C(CH3)3(OSi)	Si(CH3)(OSi)2(OC)	O(SiCOO)(CC3)	C(CH3)3(OSi)	Si(CH3)(OSi)2(OC)	133.6919	1.093	8	133.6919	1.194	8	133.6919	1.194	8	133.6919	1.194	8	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:4:2:	4:4:2:2:	C-4:Si-4:	C[4]-4:C-4:C-4:O-2:	C-4:C-4:O-2:O-2:	O(CC[4]CC)(SiCCO)	C(C[4]C[4]2Co)(CH3)2(OSi)	Si(CH3)2(OC)2	O(CC[4]CC)(SiCCO)	C(C[4]C[4]2Co)(CH3)2(OSi)	Si(CH3)2(OC)2	131.5993	4.773	4	131.5993	22.786	4	130.3025	17.344	8	130.3025	17.344	8	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:4:2:	4:4:2:2:	C-4:Si-4:	C[4]-4:C-4:C-4:O-2:	C-4:C-4:O-2:O-2:	O(CC[4]CC)(SiCCO)	C(C[4]C[4]2H)(CH3)2(OSi)	Si(CH3)2(OC)2	O(CC[4]CC)(SiCCO)	C(C[4]C[4]2H)(CH3)2(OSi)	Si(CH3)2(OC)2	129.0058	3.633	4	129.0058	13.199	4	130.3025	17.344	8	130.3025	17.344	8	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	4:4:4:2:	4:4:4:2:	Si-4:C-4:	C-4:C-4:C-4:O-2:	C-4:C-4:C-4:O-2:	O(SiC3)(CC3)	C(CCHH)(CH3)2(OSi)	Si(CC3)(CH3)2(OC)	O(SiC3)(CC3)	C(CCHH)(CH3)2(OSi)	Si(CC3)(CH3)2(OC)	133.5360	0.034	2	133.5360	0.001	2	133.5360	0.001	2	133.5360	0.001	2	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	5:3:2:1:	4:4:2:2:	C-4:Si-4:	C[3x3,4,3x5,14x6]-5:C-3:O-2:H-1:	C-4:C-4:O-2:O-2:	O(CC[3x3,4,3x5,14x6]CH)(SiCCO)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCH)(OSi)(H)	Si(CCHH)2(OC)2	O(CC[3x3,4,3x5,14x6]CH)(SiCCO)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCH)(OSi)(H)	Si(CCHH)2(OC)2	117.7460	0.564	2	117.7460	0.318	2	117.7460	0.318	2	117.7460	0.318	2	128.2128	26.035	739	128.2128	26.035	739
893	490	880	0:SP3_SP3_SP3	O	C	Si	4:4:	5:3:2:1:	4:4:4:2:	C-4:Si-4:	C[3,3,5,4x6]-5:C[6a]-3:O-2:H-1:	C-4:C-4:C-4:O-2:	O(CC[3,3,5,4x6]C[6a]H)(SiC3)	C(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]Fe)(C[6a]C[6a]2)(OSi)(H)	Si(CH3)3(OC)	O(CC[3,3,5,4x6]C[6a]H)(SiC3)	C(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]Fe)(C[6a]C[6a]2)(OSi)(H)	Si(CH3)3(OC)	128.3600	0.000	1	128.3600	0.000	1	128.3600	0.000	1	128.3600	0.000	1	128.2128	26.035	739	128.2128	26.035	739