930	466	902	0:SP2_SP2_SP3	C	C[3x6]	C[3]	4:3:1:	4:4:4:3:	4:3:2:	C[3x6]-4:C[3]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[3]-4:C-3:O[3]-2:	C(C[3x6]C[6,6]3)(C[3]C[3]O[3])(H)	C[3x6](C[6,6]C[3x6]HH)3(CC[3]H)	C[3](C[3]O[3]BrC)(CC[3x6]H)(O[3]C[3])	C(C[3x6]C[6,6]3)(C[3]C[3]O[3])(H)	C[3x6](C[6,6]C[3x6]HH)3(CC[3]H){3|C<4>,3|H<1>}	C[3](C[3]O[3]BrC)(CC[3x6]H)(O[3]C[3])	126.2340	0.000	1	126.2340	0.000	1	126.2340	0.000	1	126.2340	0.000	1	126.2340	0.000	1	126.2340	0.000	1
930	466	909	0:SP2_SP2_SP3	C	C[3x6]	S	4:2:1:	4:4:4:3:	3:3:	C[3x6]-4:S-2:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6a]-3:C-3:	C(C[3x6]C[6,6]3)(SC[6a])(O)	C[3x6](C[6,6]C[3x6]HH)3(COS)	S(C[6a]C[6a]2)(CC[3x6]O)	C(C[3x6]C[6,6]3)(SC[6a])(O)	C[3x6](C[6,6]C[3x6]HH)3(COS){3|C<4>,3|H<1>}	S(C[6a]C[6a]2)(CC[3x6]O)	113.7500	0.724	2	113.7500	0.524	2	113.7500	0.524	2	113.7500	0.524	2	114.5742	0.963	10	114.3975	2.388	20
930	466	909	0:SP2_SP2_SP3	C	C[3x6]	S	4:2:1:	4:4:4:3:	3:4:	C[3x6]-4:S-2:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C-3:C-4:	C(C[3x6]C[6,6]3)(SC)(O)	C[3x6](C[6,6]C[3x6]HH)3(COS)	S(CC[3x6]O)(CCHH)	C(C[3x6]C[6,6]3)(SC)(O)	C[3x6](C[6,6]C[3x6]HH)3(COS){1|C<3>,2|H<1>,3|C<4>}	S(CC[3x6]O)(CCHH)	114.7802	0.960	8	114.7802	0.921	8	114.7802	0.921	8	114.7802	0.921	8	114.5742	0.963	10	114.3975	2.388	20
930	466	909	0:SP2_SP2_SP3	C	C[6]	S	4:2:1:	3:3:3:1:	3:3:	C[6]-4:S-2:O-1:	C[6,6a]-3:C[6,6a]-3:C-3:H-1:	C[6a]-3:C-3:	C(C[6]C[6,6a]2H)(SC[6a])(O)	C[6](C[6,6a]C[6,6a]C[6a])2(COS)(H)	S(C[6a]C[6a]2)(CC[6]O)	C(C[6]C[6,6a]2H)(SC[6a])(O)	C[6](C[6,6a]C[6,6a]C[6a])2(COS)(H){1|N<3>,2|H<1>,4|C<3>}	S(C[6a]C[6a]2)(CC[6]O)	113.2870	0.000	1	113.2870	0.000	1	113.2870	0.000	1	113.2870	0.000	1	114.2209	4.009	10	114.3975	2.388	20
930	466	909	0:SP2_SP2_SP3	C	C[6]	S	4:2:1:	4:2:3:2:	3:4:	C[6]-4:S-2:O-1:	C[6]-4:O[6]-2:C-3:O-2:	C-3:C-4:	C(C[6]C[6]O[6]O)(SC)(O)	C[6](C[6]C[6]BrH)(O[6]C[5,6])(COS)(OC)	S(CC[6]O)(CH3)	C(C[6]C[6]O[6]O)(SC)(O)	C[6](C[6]C[6]BrH)(O[6]C[5,6])(COS)(OC){1|C<4>,2|C<3>,2|H<1>}	S(CC[6]O)(CH3)	115.2220	0.175	2	115.2220	0.031	2	115.6095	0.211	4	115.6095	0.211	4	114.2209	4.009	10	114.3975	2.388	20
930	466	909	0:SP2_SP2_SP3	C	C[6]	S	4:2:1:	4:2:3:2:	3:4:	C[6]-4:S-2:O-1:	C[6]-4:O[6]-2:C-3:O-2:	C-3:C-4:	C(C[6]C[6]O[6]O)(SC)(O)	C[6](C[6]C[6]BrH)(O[6]C[6])(COS)(OC)	S(CC[6]O)(CH3)	C(C[6]C[6]O[6]O)(SC)(O)	C[6](C[6]C[6]BrH)(O[6]C[6])(COS)(OC){1|C<4>,2|C<3>,2|H<1>}	S(CC[6]O)(CH3)	115.9970	0.044	2	115.9970	0.002	2	115.6095	0.211	4	115.6095	0.211	4	114.2209	4.009	10	114.3975	2.388	20
930	466	909	0:SP2_SP2_SP3	C	C[6]	S	4:2:1:	4:3:4:3:	3:3:	C[6]-4:S-2:O-1:	C[6]-4:C[6]-3:C-4:C-3:	C[6a]-3:C-3:	C(C[6]C[6]2C)(SC[6a])(O)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CH3)(COS)	S(C[6a]C[6a]2)(CC[6]O)	C(C[6]C[6]2C)(SC[6a])(O)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CH3)(COS){2|C<3>}	S(C[6a]C[6a]2)(CC[6]O)	113.0670	0.000	1	113.0670	0.000	1	113.0670	0.000	1	113.0670	0.000	1	114.2209	4.009	10	114.3975	2.388	20
930	466	909	0:SP2_SP2_SP3	C	C[6]	S	4:2:1:	4:4:3:1:	4:3:	C[6]-4:S-2:O-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C-4:C-3:	C(C[6]C[5,6]C[6]H)(SC)(O)	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]HH)(COS)(H)	S(CC[6a]HH)(CC[6]O)	C(C[6]C[5,6]C[6]H)(SC)(O)	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]HH)(COS)(H){2|C<4>,2|H<1>,3|C<3>}	S(CC[6a]HH)(CC[6]O)	113.5935	1.479	2	113.5935	2.186	2	113.5935	2.186	2	113.5935	2.186	2	114.2209	4.009	10	114.3975	2.388	20
930	466	909	0:SP2_SP2_SP3	C	C[6]	S	4:2:2:	3:3:4:3:	4:3:	C[6]-4:N-2:S-2:	N[6]-3:C[6]-3:C-4:C-3:	C[6]-4:C-3:	C(C[6]C[6]N[6]C)(NC[6a])(SC[6])	C[6](N[6]C[6,6]H)(C[6]N[6]O)(CH3)(CNS)	S(C[6]C[6]2H)(CC[6]N)	C(C[6]C[6]N[6]C)(NC[6a])(SC[6])	C[6](N[6]C[6,6]H)(C[6]N[6]O)(CH3)(CNS){2|C<4>,2|H<1>}	S(C[6]C[6]2H)(CC[6]N)	109.9440	0.000	1	109.9440	0.000	1	109.9440	0.000	1	109.9440	0.000	1	114.2209	4.009	10	114.3975	2.388	20
930	466	909	0:SP2_SP2_SP3	C	C[6]	S	4:2:3:	4:3:3:1:	3:3:	C[6]-4:S-2:C-3:	C[6]-4:N[6]-3:C-3:H-1:	C[6a]-3:C-3:	C(C[6]C[6]N[6]H)(SC[6a])(CHN)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCS)(H)	S(C[6a]C[6a]2)(CC[6]C)	C(C[6]C[6]N[6]H)(SC[6a])(CHN)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCS)(H){1|C<3>,1|C<4>,2|H<1>}	S(C[6a]C[6a]2)(CC[6]C)	116.2860	0.000	1	116.2860	0.000	1	116.2860	0.000	1	116.2860	0.000	1	114.2209	4.009	10	114.3975	2.388	20
930	466	930	0:SP2_SP2_SP2	C	C[6]	C	4:3:3:	3:3:3:2:	3:3:1:	C[6]-4:C-3:C-3:	C[6,6a]-3:C[6,6a]-3:C-3:C-2:	C-3:C-3:H-1:	C(C[6]C[6,6a]2C)(CCH)2	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)(CN)	C(CC[6]C)(CCH)(H)	C(C[6]C[6,6a]2C)(CCH)2	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)(CN){1|C<4>,2|H<1>,4|C<3>}	C(CC[6]C)(CCH)(H)	120.9520	0.000	1	120.9520	0.000	1	120.9520	0.000	1	120.9520	0.000	1	120.9520	0.000	1	120.9520	0.000	1
930	466	930	0:SP2_SP2_SP3	C	C[3x6]	C	4:3:1:	4:3:3:3:	3:1:1:	C[3x6]-4:C-3:H-1:	C[5,3x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:C-3:	C-3:H-1:H-1:	C(C[3x6]C[6,6,6a]2C[5,3x6])(CHH)(H)	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(CCH)	C(CC[3x6]H)(H)2	C(C[3x6]C[6,6,6a]2C[5,3x6])(CHH)(H)	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(CCH){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|H<1>,6|C<3>}	C(CC[3x6]H)(H)2	123.7240	0.000	1	123.7240	0.000	1	123.7240	0.000	1	123.7240	0.000	1	120.6642	23.956	13	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[3x6]	C	4:3:1:	4:4:3:3:	3:1:1:	C[3x6]-4:C-3:H-1:	C[3x6]-4:C[4x6]-4:C[6,6]-3:C-3:	C-3:H-1:H-1:	C(C[3x6]C[3x6]C[4x6]C[6,6])(CHH)(H)	C[3x6](C[3x6]C[3x6]O[6,6]H)(C[4x6]C[4x6]O[6,6]H)(C[6,6]C[6,6]C[6])(CCH)	C(CC[3x6]H)(H)2	C(C[3x6]C[3x6]C[4x6]C[6,6])(CHH)(H)	C[3x6](C[3x6]C[3x6]O[6,6]H)(C[4x6]C[4x6]O[6,6]H)(C[6,6]C[6,6]C[6])(CCH){3|C<3>,3|C<4>,3|H<1>}	C(CC[3x6]H)(H)2	126.4140	0.000	1	126.4140	0.000	1	126.4140	0.000	1	126.4140	0.000	1	120.6642	23.956	13	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[3x6]	C	4:3:1:	4:4:4:3:	3:2:1:	C[3x6]-4:C-3:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C-3:N-2:H-1:	C(C[3x6]C[6,6]3)(CHN)(O)	C[3x6](C[6,6]C[3x6]HH)3(CCO)	C(CC[3x6]O)(NN)(H)	C(C[3x6]C[6,6]3)(CHN)(O)	C[3x6](C[6,6]C[3x6]HH)3(CCO){3|H<1>,3|S<2>}	C(CC[3x6]O)(NN)(H)	116.8985	0.141	2	116.8985	0.020	2	116.8985	0.020	2	116.8985	0.020	2	120.6642	23.956	13	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[3x6]	C	4:3:1:	4:4:4:3:	3:3:1:	C[3x6]-4:C-3:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C-3:C-3:H-1:	C(C[3x6]C[6,6]3)(CCH)(O)	C[3x6](C[6,6]C[3x6]HH)3(CCO)	C(CC[3x6]O)(CC[6a]H)(H)	C(C[3x6]C[6,6]3)(CCH)(O)	C[3x6](C[6,6]C[3x6]HH)3(CCO){3|C<4>,3|H<1>}	C(CC[3x6]O)(CC[6a]H)(H)	118.6460	0.000	1	118.6460	0.000	1	118.6460	0.000	1	118.6460	0.000	1	120.6642	23.956	13	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[3x6]	C	4:3:2:	4:4:4:3:	3:3:3:	C[3x6]-4:C-3:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6a]-3:C-3:C-3:	C(C[3x6]C[6,6]3)(CC[6a]C)(OSi)	C[3x6](C[6,6]C[3x6]HH)3(CCO)	C(C[6a]C[6a]2)(CC[3x6]O)(CCH)	C(C[3x6]C[6,6]3)(CC[6a]C)(OSi)	C[3x6](C[6,6]C[3x6]HH)3(CCO){3|C<4>,3|H<1>}	C(C[6a]C[6a]2)(CC[3x6]O)(CCH)	130.5960	0.000	1	130.5960	0.000	1	130.5960	0.000	1	130.5960	0.000	1	120.6642	23.956	13	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[3x6]	C	4:3:3:	4:4:4:3:	3:1:1:	C[3x6]-4:C-3:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C-3:H-1:H-1:	C(C[3x6]C[6,6]3)(CCH)(CHH)	C[3x6](C[6,6]C[3x6]HH)3(CCC)	C(CC[3x6]C)(H)2	C(C[3x6]C[6,6]3)(CCH)(CHH)	C[3x6](C[6,6]C[3x6]HH)3(CCC){3|C<4>,3|H<1>}	C(CC[3x6]C)(H)2	123.7295	0.308	2	123.7295	0.095	2	123.7295	0.095	2	123.7295	0.095	2	120.6642	23.956	13	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[3x6]	C	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C-3:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C-3:C-3:H-1:	C(C[3x6]C[6,6]3)(CCH)(CHH)	C[3x6](C[6,6]C[3x6]HH)3(CCC)	C(CC[3x6]C)(CC[6a]H)(H)	C(C[3x6]C[6,6]3)(CCH)(CHH)	C[3x6](C[6,6]C[3x6]HH)3(CCC){3|C<4>,3|H<1>}	C(CC[3x6]C)(CC[6a]H)(H)	116.6515	0.241	2	116.6515	0.058	2	116.6515	0.058	2	116.0747	0.535	4	120.6642	23.956	13	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[3x6]	C	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:N-3:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C-3:C-3:H-1:	C(C[3x6]C[6,6]3)(NAlSi)(CCH)	C[3x6](C[6,6]C[3x6]HH)3(CCN)	C(CC[3x6]N)(CC[6a]N)(H)	C(C[3x6]C[6,6]3)(NAlSi)(CCH)	C[3x6](C[6,6]C[3x6]HH)3(CCN){3|C<4>,3|H<1>}	C(CC[3x6]N)(CC[6a]N)(H)	115.4980	0.465	2	115.4980	0.216	2	115.4980	0.216	2	116.0747	0.535	4	120.6642	23.956	13	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[3x6]	C	4:3:3:	4:4:4:3:	3:4:1:	C[3x6]-4:N-3:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C-3:Si-4:H-1:	C(C[3x6]C[6,6]3)(NAlSi)(CSiH)	C[3x6](C[6,6]C[3x6]HH)3(CCN)	C(CC[3x6]N)(SiC3)(H)	C(C[3x6]C[6,6]3)(NAlSi)(CSiH)	C[3x6](C[6,6]C[3x6]HH)3(CCN){3|C<4>,3|H<1>}	C(CC[3x6]N)(SiC3)(H)	123.6990	0.000	1	123.6990	0.000	1	123.6990	0.000	1	123.6990	0.000	1	120.6642	23.956	13	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6,6]	C	4:3:1:	3:4:4:3:	3:1:1:	C[6,6]-4:C-3:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C-3:H-1:H-1:	C(C[6,6]C[6,6]C[6]2)(CHH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(CCH)	C(CC[6,6]H)(H)2	C(C[6,6]C[6,6]C[6]2)(CHH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(CCH){2|C<3>,2|C<4>,5|H<1>}	C(CC[6,6]H)(H)2	126.8150	0.000	1	126.8150	0.000	1	126.8150	0.000	1	126.8150	0.000	1	126.2573	8.878	108	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6,6]	C	4:3:1:	3:4:4:3:	3:3:1:	C[6,6]-4:C-3:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C[6a]-3:C-3:H-1:	C(C[6,6]C[6,6]C[6]2)(CC[6a]H)(H)	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6,6a]HH)(C[6]O[6]HH)(CCH)	C(C[6a]C[6a]2)(CC[6,6]H)(H)	C(C[6,6]C[6,6]C[6]2)(CC[6a]H)(H)	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6,6a]HH)(C[6]O[6]HH)(CCH){4|C<3>}	C(C[6a]C[6a]2)(CC[6,6]H)(H)	126.7620	0.000	1	126.7620	0.000	1	126.7620	0.000	1	126.7620	0.000	1	126.2573	8.878	108	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6,6]	C	4:3:1:	3:4:4:3:	3:4:1:	C[6,6]-4:C-3:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C-3:C-4:H-1:	C(C[6,6]C[6,6]C[6]2)(CCH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(CCH)	C(CC[6,6]H)(CH3)(H)	C(C[6,6]C[6,6]C[6]2)(CCH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(CCH){1|C<3>,3|C<4>,5|H<1>}	C(CC[6,6]H)(CH3)(H)	129.9000	0.000	1	128.2530	5.425	2	128.2530	5.425	2	128.2530	5.425	2	126.2573	8.878	108	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6,6]	C	4:3:1:	3:4:4:3:	3:4:1:	C[6,6]-4:C-3:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C-3:C-4:H-1:	C(C[6,6]C[6,6]C[6]2)(CCH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(CCH)	C(CC[6,6]H)(CH3)(H)	C(C[6,6]C[6,6]C[6]2)(CCH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(CCH){2|C<3>,2|C<4>,5|H<1>}	C(CC[6,6]H)(CH3)(H)	126.6060	0.000	1	128.2530	5.425	2	128.2530	5.425	2	128.2530	5.425	2	126.2573	8.878	108	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6,6]	C	4:3:1:	4:2:2:3:	3:3:1:	C[6,6]-4:C-3:H-1:	C[6,6]-4:O[6]-2:O[6]-2:C-3:	C-3:C-3:H-1:	C(C[6,6]C[6,6]O[6]2)(CCH)(H)	C[6,6](C[6,6]O[6]2C)(O[6]C[6])2(CCH)	C(CC[6,6]H)(CCN)(H)	C(C[6,6]C[6,6]O[6]2)(CCH)(H)	C[6,6](C[6,6]O[6]2C)(O[6]C[6])2(CCH){2|C<4>,4|H<1>}	C(CC[6,6]H)(CCN)(H)	129.3625	3.079	2	129.3625	9.483	2	129.3625	9.483	2	127.7240	12.796	3	126.2573	8.878	108	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6,6]	C	4:3:1:	4:2:2:3:	3:3:1:	C[6,6]-4:C-3:H-1:	C[6,6]-4:O[6]-2:O[6]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6,6]C[6,6]O[6]2)(CC[6a]H)(H)	C[6,6](C[6,6]C[6]2F)(O[6]C[6,6a])(O[6]C[6])(CCH)	C(C[6a]C[6a]2)(CC[6,6]H)(H)	C(C[6,6]C[6,6]O[6]2)(CC[6a]H)(H)	C[6,6](C[6,6]C[6]2F)(O[6]C[6,6a])(O[6]C[6])(CCH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(CC[6,6]H)(H)	124.4470	0.000	1	124.4470	0.000	1	124.4470	0.000	1	127.7240	12.796	3	126.2573	8.878	108	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6,6]	C	4:3:1:	4:3:2:3:	3:3:1:	C[6,6]-4:C-3:H-1:	C[5,6,6]-4:C[6]-3:O[6]-2:C-3:	C-3:C-3:H-1:	C(C[6,6]C[5,6,6]C[6]O[6])(CCH)(H)	C[6,6](C[5,6,6]N[6,6]O[5,6]O[5])(C[6]N[6]O)(O[6]C[6])(CCH)	C(CC[6,6]H)(CCH)(H)	C(C[6,6]C[5,6,6]C[6]O[6])(CCH)(H)	C[6,6](C[5,6,6]N[6,6]O[5,6]O[5])(C[6]N[6]O)(O[6]C[6])(CCH){1|C<3>,2|H<1>,3|C<4>}	C(CC[6,6]H)(CCH)(H)	121.9170	0.000	1	121.9170	0.000	1	121.9170	0.000	1	121.9170	0.000	1	126.2573	8.878	108	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6,6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6,6]C[3x6]C[6,6]H)(CHH)(H)	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]CH)(CCH)(H)	C(CC[6,6]H)(H)2	C(C[6,6]C[3x6]C[6,6]H)(CHH)(H)	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]CH)(CCH)(H){2|C<3>,2|C<4>,2|H<1>}	C(CC[6,6]H)(H)2	124.2980	0.000	1	124.2980	0.000	1	126.3900	6.987	78	126.2992	7.136	80	126.2573	8.878	108	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6,6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6,6]C[3x6]C[6,6]H)(CHH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H)	C(CC[6,6]H)(H)2	C(C[6,6]C[3x6]C[6,6]H)(CHH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H){1|Al<5>,2|C<4>,4|H<1>}	C(CC[6,6]H)(H)2	126.4255	5.539	2	126.4172	7.021	77	126.3900	6.987	78	126.2992	7.136	80	126.2573	8.878	108	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6,6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6,6]C[3x6]C[6,6]H)(CHH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H)	C(CC[6,6]H)(H)2	C(C[6,6]C[3x6]C[6,6]H)(CHH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H){1|B<4>,2|C<4>,4|H<1>}	C(CC[6,6]H)(H)2	125.9135	0.804	2	126.4172	7.021	77	126.3900	6.987	78	126.2992	7.136	80	126.2573	8.878	108	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6,6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6,6]C[3x6]C[6,6]H)(CHH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H)	C(CC[6,6]H)(H)2	C(C[6,6]C[3x6]C[6,6]H)(CHH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H){2|C<4>,4|H<1>}	C(CC[6,6]H)(H)2	127.3014	2.874	23	126.4172	7.021	77	126.3900	6.987	78	126.2992	7.136	80	126.2573	8.878	108	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6,6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6,6]C[3x6]C[6,6]H)(CHH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H)	C(CC[6,6]H)(H)2	C(C[6,6]C[3x6]C[6,6]H)(CHH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H){2|C<4>,5|H<1>}	C(CC[6,6]H)(H)2	125.7881	2.453	40	126.4172	7.021	77	126.3900	6.987	78	126.2992	7.136	80	126.2573	8.878	108	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6,6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6,6]C[3x6]C[6,6]H)(CHH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H)	C(CC[6,6]H)(H)2	C(C[6,6]C[3x6]C[6,6]H)(CHH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H){3|C<4>,4|H<1>}	C(CC[6,6]H)(H)2	126.9989	2.314	10	126.4172	7.021	77	126.3900	6.987	78	126.2992	7.136	80	126.2573	8.878	108	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6,6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6,6]C[6,6]2H)(CHH)(H)	C[6,6](C[6,6]C[5,6]C[6]N)(C[6,6]C[5,6]O[6]H)(CCH)(H)	C(CC[6,6]H)(H)2	C(C[6,6]C[6,6]2H)(CHH)(H)	C[6,6](C[6,6]C[5,6]C[6]N)(C[6,6]C[5,6]O[6]H)(CCH)(H){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	C(CC[6,6]H)(H)2	122.6530	0.000	1	122.6530	0.000	1	122.7560	0.021	2	126.2992	7.136	80	126.2573	8.878	108	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6,6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6,6]C[6,6]2H)(CHH)(H)	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(CCH)(H)	C(CC[6,6]H)(H)2	C(C[6,6]C[6,6]2H)(CHH)(H)	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(CCH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C(CC[6,6]H)(H)2	122.8590	0.000	1	122.8590	0.000	1	122.7560	0.021	2	126.2992	7.136	80	126.2573	8.878	108	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6,6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C-3:H-1:	C[3x6]-4:C[3x6]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[6,6]C[3x6]2H)(CCH)(H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(CCH)(H)	C(CC[6,6]H)(CC[6a]O)(H)	C(C[6,6]C[3x6]2H)(CCH)(H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(CCH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C(CC[6,6]H)(CC[6a]O)(H)	123.1920	0.000	1	123.1920	0.000	1	123.1920	0.000	1	125.2915	8.349	10	126.2573	8.878	108	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6,6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[6,6]C[3x6]C[6,6]H)(CC[6a]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(CCH)(H)	C(C[6a]C[6a]2)(CC[6,6]H)(H)	C(C[6,6]C[3x6]C[6,6]H)(CC[6a]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(CCH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(CC[6,6]H)(H)	128.3000	0.000	1	128.3000	0.000	1	123.8762	6.943	5	125.2915	8.349	10	126.2573	8.878	108	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6,6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[6,6]C[3x6]C[6,6]H)(CC[6a]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(CCH)(H)	C(C[6a]C[6a]2)(CC[6,6]H)(H)	C(C[6,6]C[3x6]C[6,6]H)(CC[6a]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(CCH)(H){1|O<1>,2|H<1>,3|C<4>}	C(C[6a]C[6a]2)(CC[6,6]H)(H)	122.7703	1.050	4	122.7703	1.103	4	123.8762	6.943	5	125.2915	8.349	10	126.2573	8.878	108	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6,6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C-3:H-1:	C[5,3x6]-4:C[6,6]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[6,6]C[5,3x6]C[6,6]H)(CCH)(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]HO)(CCH)(H)	C(CC[6,6]H)(CCO)(H)	C(C[6,6]C[5,3x6]C[6,6]H)(CCH)(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]HO)(CCH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(CC[6,6]H)(CCO)(H)	126.0545	1.587	2	126.0545	2.520	2	126.0545	2.520	2	125.2915	8.349	10	126.2573	8.878	108	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6,6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[6,6]C[5,6,6]2H)(CCH)(H)	C[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]C[5,6]O[5,6]O)(CCH)(H)	C(CC[6,6]H)(CCH)(H)	C(C[6,6]C[5,6,6]2H)(CCH)(H)	C[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]C[5,6]O[5,6]O)(CCH)(H){1|C<3>,2|C<4>,3|H<1>}	C(CC[6,6]H)(CCH)(H)	129.1165	0.046	2	129.1165	0.002	2	129.1165	0.002	2	125.2915	8.349	10	126.2573	8.878	108	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6,6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6,6]-4:C-3:H-1:	C[4x6]-4:C[5,6,6]-4:C-3:H-1:	C-3:Si-4:H-1:	C(C[6,6]C[5,6,6]C[4x6]H)(CSiH)(H)	C[6,6](C[4x6]C[3x6]C[5,6]C[6,6])(C[5,6,6]C[5,3x6]C[5]H)(CCH)(H)	C(CC[6,6]H)(SiC3)(H)	C(C[6,6]C[5,6,6]C[4x6]H)(CSiH)(H)	C[6,6](C[4x6]C[3x6]C[5,6]C[6,6])(C[5,6,6]C[5,3x6]C[5]H)(CCH)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C(CC[6,6]H)(SiC3)(H)	126.4910	0.000	1	126.4910	0.000	1	126.4910	0.000	1	126.4910	0.000	1	126.2573	8.878	108	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6,6]	C	4:3:1:	4:4:3:1:	3:4:3:	C[6,6]-4:C-3:H-1:	C[5,6,6]-4:C[6,6]-4:C-3:H-1:	C-3:C-4:C-3:	C(C[6,6]C[5,6,6]C[6,6]H)(CCC)(H)	C[6,6](C[5,6,6]C[5,6]O[5]O[6])(C[6,6]C[6]2H)(CCH)(H)	C(CC[6,6]H)(CC[5]HH)(COO)	C(C[6,6]C[5,6,6]C[6,6]H)(CCC)(H)	C[6,6](C[5,6,6]C[5,6]O[5]O[6])(C[6,6]C[6]2H)(CCH)(H){2|C<3>,3|C<4>,3|H<1>}	C(CC[6,6]H)(CC[5]HH)(COO)	133.7380	0.000	1	133.7380	0.000	1	133.7380	0.000	1	133.7380	0.000	1	126.2573	8.878	108	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6,6]	C	4:3:1:	4:4:3:1:	3:4:4:	C[6,6]-4:C-3:H-1:	C[3x6]-4:C[3x6]-4:C-3:H-1:	C-3:C-4:C-4:	C(C[6,6]C[3x6]2H)(CCC)(H)	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2C)(CCH)(H)	C(CC[6,6]H)(CH3)2	C(C[6,6]C[3x6]2H)(CCC)(H)	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2C)(CCH)(H){1|C<3>,2|O<1>,4|C<4>}	C(CC[6,6]H)(CH3)2	127.9000	0.000	1	127.9000	0.000	1	127.9000	0.000	1	127.9000	0.000	1	126.2573	8.878	108	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6,6]	C	4:3:1:	4:4:4:3:	3:1:1:	C[6,6]-4:C-3:H-1:	C[5,5,3x6]-4:C[6,6]-4:C-4:C-3:	C-3:H-1:H-1:	C(C[6,6]C[5,5,3x6]C[6,6]C)(CHH)(H)	C[6,6](C[5,5,3x6]N[5,6,6]2C[5,5])(C[6,6]C[3x6]HH)(CCHH)(CCH)	C(CC[6,6]H)(H)2	C(C[6,6]C[5,5,3x6]C[6,6]C)(CHH)(H)	C[6,6](C[5,5,3x6]N[5,6,6]2C[5,5])(C[6,6]C[3x6]HH)(CCHH)(CCH){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C(CC[6,6]H)(H)2	127.2500	0.000	1	127.2500	0.000	1	127.2500	0.000	1	127.3897	1.761	3	126.2573	8.878	108	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6,6]	C	4:3:1:	4:4:4:3:	3:1:1:	C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-3:	C-3:H-1:H-1:	C(C[6,6]C[6,6]2C[6])(CHH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]O[6]HH)(CCH)	C(CC[6,6]H)(H)2	C(C[6,6]C[6,6]2C[6])(CHH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]O[6]HH)(CCH){1|C<3>,4|C<4>,4|H<1>}	C(CC[6,6]H)(H)2	126.1380	0.000	1	126.1380	0.000	1	126.1380	0.000	1	127.3897	1.761	3	126.2573	8.878	108	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6,6]	C	4:3:1:	4:4:4:3:	3:1:1:	C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C-3:H-1:H-1:	C(C[6,6]C[6,6]C[6]2)(CHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(CCH)	C(CC[6,6]H)(H)2	C(C[6,6]C[6,6]C[6]2)(CHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(CCH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C(CC[6,6]H)(H)2	128.7810	0.000	1	128.7810	0.000	1	128.7810	0.000	1	127.3897	1.761	3	126.2573	8.878	108	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6,6]	C	4:3:1:	4:4:4:3:	3:3:1:	C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C-3:C-3:H-1:	C(C[6,6]C[6,6]C[6]2)(CCH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CCH)	C(CC[6,6]H)(CCH)(H)	C(C[6,6]C[6,6]C[6]2)(CCH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CCH){1|C<4>,2|C<3>,4|H<1>}	C(CC[6,6]H)(CCH)(H)	132.8520	0.000	1	132.8520	0.000	1	132.8520	0.000	1	132.8520	0.000	1	126.2573	8.878	108	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6,6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6,6]-4:C-4:C-3:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6,6]C[3x6]C[6,6]H)(CH3)(CHH)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCC)(H)	C(CC[6,6]C)(H)2	C(C[6,6]C[3x6]C[6,6]H)(CH3)(CHH)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CCC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|C<2>}	C(CC[6,6]C)(H)2	123.4650	0.000	1	123.4650	0.000	1	121.4290	8.291	2	120.2043	8.645	3	126.2573	8.878	108	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6,6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6,6]-4:C-4:C-3:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6,6]C[3x6]C[6,6]H)(CH3)(CHH)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[5,3x6]HH)(CCC)(H)	C(CC[6,6]C)(H)2	C(C[6,6]C[3x6]C[6,6]H)(CH3)(CHH)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[5,3x6]HH)(CCC)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C(CC[6,6]C)(H)2	119.3930	0.000	1	119.3930	0.000	1	121.4290	8.291	2	120.2043	8.645	3	126.2573	8.878	108	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6,6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6,6]-4:C[5]-4:C-3:	C[5,6,6]-4:C[5,6,6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6,6]C[5,6,6]2H)(C[5]C[5]2H)(CHH)	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6]2C)(CC[5]C)(H)	C(CC[6,6]C[5])(H)2	C(C[6,6]C[5,6,6]2H)(C[5]C[5]2H)(CHH)	C[6,6](C[5,6,6]C[5,6]O[5,6]H)(C[5,6,6]C[5,6]2C)(CC[5]C)(H){1|O<2>,2|C<4>,5|H<1>}	C(CC[6,6]C[5])(H)2	117.7550	0.000	1	117.7550	0.000	1	117.7550	0.000	1	120.2043	8.645	3	126.2573	8.878	108	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	3:4:3:	3:3:3:1:	3:1:1:	C[6a]-3:C[6]-4:C-3:	N[6]-3:N[6]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(C[6]N[6]2H)(CHH)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CC[6a]C)(H)	C(CC[6a]C[6])(H)2	C(C[6a]C[6a]2)(C[6]N[6]2H)(CHH)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CC[6a]C)(H){1|O<1>,2|C<3>}	C(CC[6a]C[6])(H)2	117.7750	0.000	1	117.7750	0.000	1	119.9750	3.745	3	119.9750	3.745	3	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	3:4:3:	3:3:3:1:	3:1:1:	C[6a]-3:C[6]-4:C-3:	N[6]-3:N[6]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(C[6]N[6]2H)(CHH)	C[6](N[6]C[6,6a]S)(N[6]C[6]C)(CC[6a]C)(H)	C(CC[6a]C[6])(H)2	C(C[6a]C[6a]2)(C[6]N[6]2H)(CHH)	C[6](N[6]C[6,6a]S)(N[6]C[6]C)(CC[6a]C)(H){1|O<1>,2|C<3>}	C(CC[6a]C[6])(H)2	121.4140	0.000	1	121.4140	0.000	1	119.9750	3.745	3	119.9750	3.745	3	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	3:4:3:	3:3:3:1:	3:1:1:	C[6a]-3:C[6]-4:C-3:	N[6]-3:N[6]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(C[6]N[6]2H)(CHH)	C[6](N[6]C[6,6a]S)(N[6]S[6]C)(CC[6a]C)(H)	C(CC[6a]C[6])(H)2	C(C[6a]C[6a]2)(C[6]N[6]2H)(CHH)	C[6](N[6]C[6,6a]S)(N[6]S[6]C)(CC[6a]C)(H){2|C<3>,2|O<1>}	C(CC[6a]C[6])(H)2	120.7360	0.000	1	120.7360	0.000	1	119.9750	3.745	3	119.9750	3.745	3	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	3:4:3:	3:4:3:1:	3:4:1:	C[6a]-3:C[6]-4:C-3:	C[6]-3:C[6]-4:C-3:H-1:	C-3:B-4:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CBH)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(CC[6a]C)(H)	C(CC[6a]C[6])(BC[6a]3)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CBH)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(CC[6a]C)(H){3|C<4>,4|H<1>}	C(CC[6a]C[6])(BC[6a]3)(H)	122.7530	0.000	1	122.7530	0.000	1	122.7530	0.000	1	123.6865	1.743	2	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	3:4:3:	3:4:3:1:	3:4:1:	C[6a]-3:C[6]-4:C-3:	C[6]-3:C[6]-4:C-3:H-1:	C-3:Si-4:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CSiH)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CC[6a]C)(H)	C(CC[6a]C[6])(SiC3)(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CSiH)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CC[6a]C)(H){1|Si<4>,1|H<1>,3|C<3>}	C(CC[6a]C[6])(SiC3)(H)	124.6200	0.000	1	124.6200	0.000	1	124.6200	0.000	1	123.6865	1.743	2	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	3:4:3:	4:4:3:1:	3:1:1:	C[5a]-3:C[6]-4:C-3:	C[5,6,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5a]C[5a,6a]C[5a])(C[6]C[5,6,6]C[6]H)(CHH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]CH)(CC[5a]C)(H)	C(CC[5a]C[6])(H)2	C(C[5a]C[5a,6a]C[5a])(C[6]C[5,6,6]C[6]H)(CHH)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]CH)(CC[5a]C)(H){1|O<2>,5|C<4>,5|H<1>}	C(CC[5a]C[6])(H)2	126.1520	0.000	1	126.1520	0.000	1	126.1520	0.000	1	123.5099	1.570	7	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	3:4:3:	4:4:3:1:	3:1:1:	C[6a]-3:C[6]-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHH)	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CC[6a]C)(H)	C(CC[6a]C[6])(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHH)	C[6](C[6]C[6,6a]CH)(C[6]O[6]HH)(CC[6a]C)(H){2|C<3>}	C(CC[6a]C[6])(H)2	123.0330	0.708	3	123.0330	0.501	3	123.0695	0.255	6	123.5099	1.570	7	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	3:4:3:	4:4:3:1:	3:1:1:	C[6a]-3:C[6]-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHH)	C[6](C[6]C[6,6a]HO)(C[6]N[6]HH)(CC[6a]C)(H)	C(CC[6a]C[6])(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHH)	C[6](C[6]C[6,6a]HO)(C[6]N[6]HH)(CC[6a]C)(H){1|S<4>,2|C<3>}	C(CC[6a]C[6])(H)2	123.1050	0.000	1	123.1050	0.000	1	123.0695	0.255	6	123.5099	1.570	7	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	3:4:3:	4:4:3:1:	3:1:1:	C[6a]-3:C[6]-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]C)(H)	C(CC[6a]C[6])(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]C)(H){1|C<4>,4|H<1>}	C(CC[6a]C[6])(H)2	123.4710	0.000	1	123.4710	0.000	1	123.0695	0.255	6	123.5099	1.570	7	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	3:4:3:	4:4:3:1:	3:1:1:	C[6a]-3:C[6]-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHH)	C[6](C[6]N[6]HH)2(CC[6a]C)(H)	C(CC[6a]C[6])(H)2	C(C[6a]C[6a]2)(C[6]C[6]2H)(CHH)	C[6](C[6]N[6]HH)2(CC[6a]C)(H){1|C<4>,2|S<4>}	C(CC[6a]C[6])(H)2	122.7420	0.000	1	122.7420	0.000	1	123.0695	0.255	6	123.5099	1.570	7	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	3:4:3:	4:4:3:1:	3:3:1:	C[6a]-3:C[6]-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CC[6a]H)	C[6](C[6]C[6]HH)2(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]C[6])(H)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CC[6a]H)	C[6](C[6]C[6]HH)2(CC[6a]C)(H){1|C<4>,1|N<2>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C[6])(H)	122.1190	1.523	2	122.1190	2.320	2	122.1190	2.320	2	122.1190	2.320	2	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	3:4:3:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(CC[6a]C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]C[6])(CC[6a]C)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CC[6a]C)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CC[6a]C)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(CC[6a]C[6])(CC[6a]C)	122.2650	0.000	1	122.2650	0.000	1	122.2650	0.000	1	122.2650	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	3:4:3:	4:4:3:3:	3:1:1:	C[6a]-3:C[6]-4:C-3:	C[6]-4:C[6]-4:C-3:N-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(C[6]C[6]2N)(CHH)	C[6](C[6]C[6]HH)2(CC[6a]C)(NOO)	C(CC[6a]C[6])(H)2	C(C[6a]C[6a]2)(C[6]C[6]2N)(CHH)	C[6](C[6]C[6]HH)2(CC[6a]C)(NOO){1|C<3>,1|C<4>,3|H<1>}	C(CC[6a]C[6])(H)2	122.8515	0.897	2	122.8515	0.805	2	122.8515	0.805	2	122.8515	0.805	2	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:2:3:	4:3:3:1:	3:3:1:	C[6]-4:S-2:C-3:	C[6]-4:N[6]-3:C-3:H-1:	C-3:N-3:H-1:	C(C[6]C[6]N[6]H)(SC[6a])(CHN)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCS)(H)	C(CC[6]S)(NHS)(H)	C(C[6]C[6]N[6]H)(SC[6a])(CHN)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCS)(H){1|C<3>,1|C<4>,2|H<1>}	C(CC[6]S)(NHS)(H)	121.6930	0.000	1	121.6930	0.000	1	121.6930	0.000	1	121.6930	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	2:2:4:3:	3:1:1:	C[6]-4:C-3:H-1:	O[6]-2:O[6]-2:C-4:C-3:	C-3:H-1:H-1:	C(C[6]O[6]2C)(CHH)(H)	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)(CCH)	C(CC[6]H)(H)2	C(C[6]O[6]2C)(CHH)(H)	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)(CCH){1|O<1>,2|C<3>}	C(CC[6]H)(H)2	126.1830	0.000	1	126.1830	0.000	1	126.1830	0.000	1	126.1830	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	2:3:3:1:	3:1:1:	C[6]-4:C-3:H-1:	O[6]-2:N[6]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[6]N[6]O[6]H)(CHH)(H)	C[6](O[6]C[6,6])(N[6]C[6]S)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]N[6]O[6]H)(CHH)(H)	C[6](O[6]C[6,6])(N[6]C[6]S)(CCH)(H){1|H<1>,4|C<4>}	C(CC[6]H)(H)2	126.7090	0.000	1	126.7090	0.000	1	126.7090	0.000	1	126.7090	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	2:3:4:3:	3:3:1:	C[6]-4:C-3:H-1:	O[6]-2:C[6]-3:C-4:C-3:	C-3:C-3:H-1:	C(C[6]C[6]O[6]C)(CCH)(H)	C[6](O[6]C[6,6a])(C[6]N[6]O)(CH3)(CCH)	C(CC[6]H)(CCH)(H)	C(C[6]C[6]O[6]C)(CCH)(H)	C[6](O[6]C[6,6a])(C[6]N[6]O)(CH3)(CCH){1|H<1>,2|C<3>}	C(CC[6]H)(CCH)(H)	124.5980	0.000	1	124.5980	0.000	1	124.5980	0.000	1	124.5980	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	2:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	O[6]-2:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]O[6]H)(CHH)(H)	C[6](O[6]C[6,6a])(C[6]N[6]HH)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6]O[6]H)(CHH)(H)	C[6](O[6]C[6,6a])(C[6]N[6]HH)(CCH)(H){1|S<4>,2|C<3>}	C(CC[6]H)(H)2	128.8260	0.000	1	128.8260	0.000	1	128.8260	0.000	1	128.8260	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	2:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	O[6]-2:C[6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[6]C[6]O[6]H)(CC[6a]H)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCH)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6]O[6]H)(CC[6a]H)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCH)(H){1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6]H)(H)	122.2850	0.000	1	122.2850	0.000	1	122.2850	0.000	1	122.2850	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	2:4:4:3:	3:1:1:	C[6]-4:C-3:H-1:	O[6]-2:C[6]-4:C-4:C-3:	C-3:H-1:H-1:	C(C[6]C[6]O[6]C)(CHH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(CCH)	C(CC[6]H)(H)2	C(C[6]C[6]O[6]C)(CHH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(CCH){1|H<1>,1|N<3>,2|C<3>}	C(CC[6]H)(H)2	129.5540	0.233	2	129.5540	0.054	2	129.5540	0.054	2	129.5540	0.054	2	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:2:2:3:	3:3:3:	C[6]-4:C-3:H-1:	C[6a]-3:O[6]-2:O[6]-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6a]O[6]2)(CC[6a]2)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6])(CCH)	C(C[6a]C[6a]2)2(CC[6]H)	C(C[6]C[6a]O[6]2)(CC[6a]2)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6])(CCH){1|O<1>,2|H<1>,4|C<3>}	C(C[6a]C[6a]2)2(CC[6]H)	128.9405	0.739	2	128.9405	0.546	2	128.9405	0.546	2	127.9780	3.052	3	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:2:2:3:	3:3:3:	C[6]-4:C-3:H-1:	C[6a]-3:S[6]-2:O[6]-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6a]O[6]S[6])(CC[6a]2)(H)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(O[6]C[6])(CCH)	C(C[6a]C[6a]2)2(CC[6]H)	C(C[6]C[6a]O[6]S[6])(CC[6a]2)(H)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(O[6]C[6])(CCH){1|O<1>,2|H<1>,4|C<3>}	C(C[6a]C[6a]2)2(CC[6]H)	126.0530	0.000	1	126.0530	0.000	1	126.0530	0.000	1	127.9780	3.052	3	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:2:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6,6a]-3:O[6]-2:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6,6a]O[6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6,6a]O[6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C(CC[6]H)(H)2	123.9560	0.000	1	123.9167	0.001	3	123.9167	0.001	3	123.9167	0.001	3	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:2:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6,6a]-3:O[6]-2:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6,6a]O[6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6,6a]O[6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCH)(H){1|H<1>,1|N<2>,3|C<3>}	C(CC[6]H)(H)2	123.8970	0.007	2	123.9167	0.001	3	123.9167	0.001	3	123.9167	0.001	3	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:3:2:3:	3:3:1:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[5a]-3:O[6]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6]C[6,6a]C[5a]O[6])(CC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(O[6]C[6,6a])(CCH)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6,6a]C[5a]O[6])(CC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(O[6]C[6,6a])(CCH){2|H<1>,6|C<3>}	C(C[6a]C[6a]2)(CC[6]H)(H)	124.8720	0.000	1	124.8720	0.000	1	124.8720	0.000	1	124.8720	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:3:2:3:	3:4:4:	C[6]-4:C-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:C-3:	C-3:C-4:C-4:	C(C[6]C[6a]N[6]2)(CCC)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(CCH)	C(CC[6]H)(CH3)2	C(C[6]C[6a]N[6]2)(CCC)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(CCH){2|H<1>,3|C<3>,3|C<4>}	C(CC[6]H)(CH3)2	128.5560	0.000	1	128.5560	0.000	1	128.5560	0.000	1	128.5560	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:3:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6,6a]-3:N[5,6]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6,6a]N[5,6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6,6a]N[5,6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(CCH)(H){1|H<1>,1|N<2>,5|C<3>}	C(CC[6]H)(H)2	122.7495	1.449	2	122.7495	2.099	2	122.7495	2.099	2	124.2002	3.645	6	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:3:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6,6a]-3:N[6]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6,6a]N[6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6,6a]N[6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(CC[6]H)(H)2	124.5790	0.000	1	126.0590	4.381	2	126.0590	4.381	2	124.2002	3.645	6	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:3:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6,6a]-3:N[6]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6,6a]N[6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6,6a]N[6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(CC[6]H)(H)2	127.5390	0.000	1	126.0590	4.381	2	126.0590	4.381	2	124.2002	3.645	6	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:3:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-3:N[6]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]N[6]H)(CHH)(H)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6]N[6]H)(CHH)(H)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCH)(H){1|C<4>,1|H<1>,1|O<1>}	C(CC[6]H)(H)2	123.7920	0.539	2	123.7920	0.290	2	123.7920	0.290	2	124.2002	3.645	6	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[5a,6]-3:N[6]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[6]C[5a,6]N[6]H)(CC[6a]H)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]O[6])(CCH)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[5a,6]N[6]H)(CC[6a]H)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]O[6])(CCH)(H){1|C<4>,1|N<3>,4|C<3>}	C(C[6a]C[6a]2)(CC[6]H)(H)	126.2350	0.000	1	126.2350	0.000	1	126.2350	0.000	1	123.8931	3.540	20	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6,6]-3:C[6,6]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[6]C[6,6]2H)(CC[6a]H)(H)	C[6](C[6,6]C[6,6]C[6])2(CCH)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6,6]2H)(CC[6a]H)(H)	C[6](C[6,6]C[6,6]C[6])2(CCH)(H){1|O<2>,2|O<1>,4|C<4>}	C(C[6a]C[6a]2)(CC[6]H)(H)	124.7572	0.287	5	124.7572	0.083	5	124.7572	0.083	5	123.8931	3.540	20	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6,6]-3:C[6]-3:C-3:H-1:	C[6a]-3:C-3:Br-1:	C(C[6]C[6,6]C[6]H)(CC[6a]Br)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CCH)(H)	C(C[6a]C[6a]2)(CC[6]H)(Br)	C(C[6]C[6,6]C[6]H)(CC[6a]Br)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CCH)(H){1|Br<1>,1|H<1>,4|C<4>}	C(C[6a]C[6a]2)(CC[6]H)(Br)	124.4680	0.603	3	124.4680	0.363	3	124.4680	0.363	3	123.8931	3.540	20	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C(C[6]C[6,6a]C[6]H)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH)(H)	C(CC[6]H)(CC[6]O)(H)	C(C[6]C[6,6a]C[6]H)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH)(H){1|C<4>,2|C<3>,2|H<1>}	C(CC[6]H)(CC[6]O)(H)	123.6330	0.000	1	123.6330	0.000	1	123.6330	0.000	1	123.8931	3.540	20	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[6]C[6,6a]C[6]H)(CC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6,6a]C[6]H)(CC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C(C[6a]C[6a]2)(CC[6]H)(H)	124.2320	0.438	2	124.2320	0.192	2	124.2320	0.192	2	123.8931	3.540	20	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-3:C[6]-3:C-3:H-1:	C-3:C-3:Br-1:	C(C[6]C[6]2H)(CBrC)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCH)(H)	C(CC[6]H)(CC[6]O)(Br)	C(C[6]C[6]2H)(CBrC)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCH)(H){1|C<4>,3|H<1>}	C(CC[6]H)(CC[6]O)(Br)	124.7940	2.099	2	124.7940	4.405	2	124.7940	4.405	2	123.8931	3.540	20	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-3:N[6]-3:C-3:H-1:	C-3:C-3:H-1:	C(C[6]C[6]N[6]H)(CCH)(H)	C[6](C[6]N[6]C)(N[6]C[6]S)(CCH)(H)	C(CC[6]H)(CCH)(H)	C(C[6]C[6]N[6]H)(CCH)(H)	C[6](C[6]N[6]C)(N[6]C[6]S)(CCH)(H){1|H<1>,2|C<3>}	C(CC[6]H)(CCH)(H)	117.2520	0.000	1	117.2520	0.000	1	117.2520	0.000	1	123.8931	3.540	20	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C-3:H-1:	N[6]-3:N[6]-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C(C[6]N[6]2H)(CC[5a]H)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CCH)(H)	C(C[5a]C[5a]O[5a])(CC[6]H)(H)	C(C[6]N[6]2H)(CC[5a]H)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CCH)(H){1|O<1>,2|C<3>}	C(C[5a]C[5a]O[5a])(CC[6]H)(H)	122.5645	1.102	2	122.5645	1.215	2	122.7980	0.771	3	123.8931	3.540	20	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C-3:H-1:	N[6]-3:N[6]-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C(C[6]N[6]2H)(CC[5a]H)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CCH)(H)	C(C[5a]C[5a]S[5a])(CC[6]H)(H)	C(C[6]N[6]2H)(CC[5a]H)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CCH)(H){1|O<1>,2|C<3>}	C(C[5a]C[5a]S[5a])(CC[6]H)(H)	123.2650	0.000	1	123.2650	0.000	1	122.7980	0.771	3	123.8931	3.540	20	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C-3:H-1:	N[6]-3:N[6]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[6]N[6]2H)(CC[6a]H)(H)	C[6](N[6]C[6,6a]H)2(CCH)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]N[6]2H)(CC[6a]H)(H)	C[6](N[6]C[6,6a]H)2(CCH)(H){3|C<3>}	C(C[6a]C[6a]2)(CC[6]H)(H)	123.5830	0.000	1	123.5830	0.000	1	123.5535	0.002	2	123.8931	3.540	20	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C-3:H-1:	N[6]-3:N[6]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[6]N[6]2H)(CC[6a]H)(H)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]N[6]2H)(CC[6a]H)(H)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]C)(CCH)(H){1|O<1>,4|C<3>}	C(C[6a]C[6a]2)(CC[6]H)(H)	123.5240	0.000	1	123.5240	0.000	1	123.5535	0.002	2	123.8931	3.540	20	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:3:3:1:	3:3:3:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6,6a]C[6]H)(CC[6a]2)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CCH)(H)	C(C[6a]C[6a]2)2(CC[6]H)	C(C[6]C[6,6a]C[6]H)(CC[6a]2)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CCH)(H){1|O<2>,4|C<3>}	C(C[6a]C[6a]2)2(CC[6]H)	127.2360	0.000	1	127.2360	0.000	1	127.2360	0.000	1	125.8543	2.661	3	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:3:3:1:	3:3:3:	C[6]-4:C-3:H-1:	C[6]-3:N[6]-3:C-3:H-1:	C[6a]-3:C-3:N-3:	C(C[6]C[6]N[6]H)(CC[6a]N)(H)	C[6](C[6]O[6]O)(N[6]C[6]H)(CCH)(H)	C(C[6a]C[6a]2)(CC[6]H)(NCH)	C(C[6]C[6]N[6]H)(CC[6a]N)(H)	C[6](C[6]O[6]O)(N[6]C[6]H)(CCH)(H){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(CC[6]H)(NCH)	125.1635	1.568	2	125.1635	2.458	2	125.1635	2.458	2	125.8543	2.661	3	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:3:3:1:	3:3:4:	C[6]-4:C-3:H-1:	C[6]-3:C[6]-3:C-3:H-1:	C[4]-3:C-3:C-4:	C(C[6]C[6]2H)(CC[4]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(CCH)(H)	C(C[4]C[4]2)(CC[6]H)(CH3)	C(C[6]C[6]2H)(CC[4]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(CCH)(H){1|H<1>,2|C<4>}	C(C[4]C[4]2)(CC[6]H)(CH3)	119.4700	0.000	1	119.4700	0.000	1	119.4700	0.000	1	119.4175	0.006	2	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:3:3:1:	3:3:4:	C[6]-4:C-3:H-1:	C[6]-3:N[6]-3:C-3:H-1:	C[4]-3:C-3:C-4:	C(C[6]C[6]N[6]H)(CC[4]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH)(H)	C(C[4]C[4]2)(CC[6]H)(CH3)	C(C[6]C[6]N[6]H)(CC[4]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[4]C[4]2)(CC[6]H)(CH3)	119.3650	0.000	1	119.3650	0.000	1	119.3650	0.000	1	119.4175	0.006	2	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:3:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6,6a]-3:N[6]-3:C-3:H-1:	C-3:C-4:H-1:	C(C[6]C[6,6a]N[6]H)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CCH)(H)	C(CC[6]H)(CH3)(H)	C(C[6]C[6,6a]N[6]H)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CCH)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C(CC[6]H)(CH3)(H)	125.0943	1.781	4	125.0943	3.170	4	125.0943	3.170	4	125.0943	3.170	4	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:3:3:1:	3:4:4:	C[6]-4:C-3:H-1:	C[5a,6]-3:C[5a,6]-3:C-3:H-1:	C-3:C-4:C-4:	C(C[6]C[5a,6]2H)(CCC)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]N[5a])(CCH)(H)	C(CC[6]H)(CH3)2	C(C[6]C[5a,6]2H)(CCC)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]N[5a])(CCH)(H){1|C<4>,1|N<3>,5|C<3>}	C(CC[6]H)(CH3)2	129.3365	0.524	2	129.3365	0.275	2	129.3365	0.275	2	128.4352	0.680	6	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:3:3:1:	3:4:4:	C[6]-4:C-3:H-1:	C[5a,6]-3:N[6,6]-3:C-3:H-1:	C-3:C-4:C-4:	C(C[6]C[5a,6]N[6,6]H)(CCC)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(CCH)(H)	C(CC[6]H)(CH3)2	C(C[6]C[5a,6]N[6,6]H)(CCC)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(CCH)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C(CC[6]H)(CH3)2	128.5150	0.000	1	128.1325	0.293	2	128.1325	0.293	2	128.4352	0.680	6	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:3:3:1:	3:4:4:	C[6]-4:C-3:H-1:	C[5a,6]-3:N[6,6]-3:C-3:H-1:	C-3:C-4:C-4:	C(C[6]C[5a,6]N[6,6]H)(CCC)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(CCH)(H)	C(CC[6]H)(CH3)2	C(C[6]C[5a,6]N[6,6]H)(CCC)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(CCH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C(CC[6]H)(CH3)2	127.7500	0.000	1	128.1325	0.293	2	128.1325	0.293	2	128.4352	0.680	6	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:3:3:1:	3:4:4:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-3:H-1:	C-3:C-4:C-4:	C(C[6]C[6,6a]2H)(CCC)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCH)(H)	C(CC[6]H)(CH3)2	C(C[6]C[6,6a]2H)(CCC)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCH)(H){3|O<2>,4|C<3>}	C(CC[6]H)(CH3)2	127.8365	0.556	2	127.8365	0.310	2	127.8365	0.310	2	128.4352	0.680	6	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:3:3:1:	4:3:3:	C[6]-4:C-3:H-1:	C[6]-3:C[6]-3:C-3:H-1:	C-4:C-3:C-3:	C(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[6]H)(C[6]O[6]O)(CCH)(H)	C(CC[6a]C[6]H)(CC[6]H)(COO)	C(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[6]H)(C[6]O[6]O)(CCH)(H){1|C<3>,1|C<4>}	C(CC[6a]C[6]H)(CC[6]H)(COO)	124.8590	0.000	1	124.8590	0.000	1	124.8590	0.000	1	124.8590	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:3:3:2:	3:3:1:	C[6]-4:C-3:O-1:	C[6,6a]-3:C[6]-3:C-3:O-2:	C-3:C-3:H-1:	C(C[6]C[6,6a]C[6]O)(CCH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCO)(OC)	C(CC[6]H)(CC[6]O)(H)	C(C[6]C[6,6a]C[6]O)(CCH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCO)(OC){1|C<4>,2|C<3>,2|H<1>}	C(CC[6]H)(CC[6]O)(H)	118.7790	0.000	1	118.7790	0.000	1	118.7790	0.000	1	118.7790	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:3:3:3:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6]C[6a]C[6]N[6])(CC[6a]H)(H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]H)(CCH)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6a]C[6]N[6])(CC[6a]H)(H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]H)(CCH){1|O<1>,2|H<1>,4|C<3>}	C(C[6a]C[6a]2)(CC[6]H)(H)	125.4480	0.000	1	125.4480	0.000	1	125.4480	0.000	1	128.2588	3.264	5	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:3:3:3:	3:3:1:	C[6]-4:C-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:C-3:	C-3:C-3:H-1:	C(C[6]C[6a]C[6]2)(CCH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]O)2(CCH)	C(CC[6]H)(CHO)(H)	C(C[6]C[6a]C[6]2)(CCH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]O)2(CCH){1|C<4>,2|C<3>,6|H<1>}	C(CC[6]H)(CHO)(H)	128.1440	0.590	2	128.1440	0.348	2	128.1440	0.348	2	128.2588	3.264	5	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:3:3:3:	3:3:1:	C[6]-4:C-3:H-1:	N[6]-3:N[6]-3:C-3:C-3:	C-3:C-3:H-1:	C(C[6]N[6]2C)(CCH)(H)	C[6](N[6]C[6a]C[6])2(CCH)2	C(CC[6]H)(CCH)(H)	C(C[6]N[6]2C)(CCH)(H)	C[6](N[6]C[6a]C[6])2(CCH)2{1|C<4>,2|O<1>,4|C<3>}	C(CC[6]H)(CCH)(H)	129.7790	0.399	2	129.7790	0.159	2	129.7790	0.159	2	128.2588	3.264	5	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:3:3:3:	3:4:4:	C[6]-4:C-3:H-1:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:C-3:	C-3:C-4:C-4:	C(C[6]C[6,6a]N[5a,6]C[6a])(CCC)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[5,6,6a]C[6a])(C[6a]C[6a]2)(CCH)	C(CC[6]H)(CH3)2	C(C[6]C[6,6a]N[5a,6]C[6a])(CCC)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[5,6,6a]C[6a])(C[6a]C[6a]2)(CCH){1|N<2>,1|N<3>,3|H<1>,6|C<3>}	C(CC[6]H)(CH3)2	127.3650	0.000	1	127.3650	0.000	1	127.3650	0.000	1	127.3650	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:3:4:3:	3:3:1:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-3:C-4:C-3:	C-3:C-3:H-1:	C(C[6]C[6,6a]C[6]C)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(CCH)	C(CC[6a]O)(CC[6]H)(H)	C(C[6]C[6,6a]C[6]C)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(CCH){1|C<4>,1|H<1>,3|C<3>}	C(CC[6a]O)(CC[6]H)(H)	129.0470	0.556	2	129.0470	0.309	2	129.0470	0.309	2	128.0500	3.136	3	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:3:4:3:	3:3:1:	C[6]-4:C-3:H-1:	C[6,6a]-3:N[6]-3:C-4:C-3:	C-3:C-3:H-1:	C(C[6]C[6,6a]N[6]C)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(CCH)	C(CC[6]H)(CCH)(H)	C(C[6]C[6,6a]N[6]C)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(CCH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(CC[6]H)(CCH)(H)	126.0560	0.000	1	126.0560	0.000	1	126.0560	0.000	1	128.0500	3.136	3	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:3:4:3:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-3:C[6]-3:C-4:C-3:	C-3:C-4:H-1:	C(C[6]C[6]2C)(CCH)(H)	C[6](C[6]C[6]H)2(CH3)(CCH)	C(CC[6]H)(CCHO)(H)	C(C[6]C[6]2C)(CCH)(H)	C[6](C[6]C[6]H)2(CH3)(CCH){1|C<4>,2|H<1>}	C(CC[6]H)(CCHO)(H)	131.5420	0.000	1	131.5420	0.000	1	131.5420	0.000	1	131.5420	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[5a,6]-3:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[5a,6]C[6]H)(CHH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[5a,6]C[6]H)(CHH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(CCH)(H){1|C<4>,1|H<1>,4|C<3>}	C(CC[6]H)(H)2	123.9310	0.000	1	123.9310	0.000	1	124.8080	1.210	3	123.7672	0.852	21	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[5a,6]-3:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[5a,6]C[6]H)(CHH)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[5a,6]C[6]H)(CHH)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCH)(H){1|C<4>,1|N<3>,1|S<4>,2|C<3>}	C(CC[6]H)(H)2	124.4510	0.000	1	125.2465	1.266	2	124.8080	1.210	3	123.7672	0.852	21	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[5a,6]-3:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[5a,6]C[6]H)(CHH)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[5a,6]C[6]H)(CHH)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCH)(H){1|N<3>,2|C<3>,2|C<4>}	C(CC[6]H)(H)2	126.0420	0.000	1	125.2465	1.266	2	124.8080	1.210	3	123.7672	0.852	21	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[5,6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6,6a]C[5,6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6,6a]C[5,6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCH)(H){1|N<4>,2|C<3>,2|C<4>,4|H<1>}	C(CC[6]H)(H)2	125.4410	0.000	1	125.4410	0.000	1	125.4410	0.000	1	123.7672	0.852	21	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6,6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6,6a]C[6,6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6,6a]C[6,6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CCH)(H){2|H<1>,2|O<1>,3|C<3>,3|N<3>}	C(CC[6]H)(H)2	123.6930	0.000	1	123.6930	0.000	1	123.6930	0.000	1	123.7672	0.852	21	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6,6a]C[6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6,6a]C[6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CCH)(H){1|C<4>,1|H<1>,3|C<3>}	C(CC[6]H)(H)2	124.6340	0.000	1	124.6340	0.000	1	123.7056	0.556	8	123.7672	0.852	21	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6,6a]C[6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6,6a]C[6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CCH)(H){1|N<3>,2|H<1>,3|C<3>}	C(CC[6]H)(H)2	122.8250	0.000	1	122.8250	0.000	1	123.7056	0.556	8	123.7672	0.852	21	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6,6a]C[6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6,6a]C[6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCH)(H){1|C<4>,2|C<3>,3|H<1>}	C(CC[6]H)(H)2	124.3520	0.000	1	123.8775	0.582	4	123.7056	0.556	8	123.7672	0.852	21	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6,6a]C[6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6,6a]C[6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(CC[6]H)(H)2	123.3210	0.703	2	123.8775	0.582	4	123.7056	0.556	8	123.7672	0.852	21	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6,6a]C[6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6,6a]C[6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCH)(H){1|O<2>,2|C<3>,3|H<1>}	C(CC[6]H)(H)2	124.5160	0.000	1	123.8775	0.582	4	123.7056	0.556	8	123.7672	0.852	21	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6,6a]C[6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6,6a]C[6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(CCH)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C(CC[6]H)(H)2	123.0950	0.000	1	123.0950	0.000	1	123.7056	0.556	8	123.7672	0.852	21	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6,6a]C[6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6,6a]C[6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCH)(H){1|H<1>,2|C<3>,2|C<4>}	C(CC[6]H)(H)2	123.5810	0.000	1	123.5810	0.000	1	123.7056	0.556	8	123.7672	0.852	21	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	N[5,6]-3:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]N[5,6]C[6]H)(CHH)(H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[5,6]HO)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]N[5,6]C[6]H)(CHH)(H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[5,6]HO)(CCH)(H){1|C<2>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C(CC[6]H)(H)2	123.7910	0.000	1	123.7910	0.000	1	123.7910	0.000	1	123.7672	0.852	21	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	N[5a,6]-3:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]N[5a,6]C[6]H)(CHH)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]N[5a,6]C[6]H)(CHH)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(CCH)(H){2|C<4>,3|C<3>}	C(CC[6]H)(H)2	123.6700	0.000	1	123.6700	0.000	1	123.0742	0.351	6	123.7672	0.852	21	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	N[5a,6]-3:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]N[5a,6]C[6]H)(CHH)(H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]N[5a,6]C[6]H)(CHH)(H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(CCH)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C(CC[6]H)(H)2	123.0180	0.804	3	123.0180	0.646	3	123.0742	0.351	6	123.7672	0.852	21	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	N[5a,6]-3:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]N[5a,6]C[6]H)(CHH)(H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]N[5a,6]C[6]H)(CHH)(H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(CCH)(H){1|C<3>,1|C<4>,1|N<2>}	C(CC[6]H)(H)2	122.8605	0.081	2	122.8605	0.007	2	123.0742	0.351	6	123.7672	0.852	21	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	N[6,6a]-3:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]N[6,6a]C[6]H)(CHH)(H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]N[6,6a]C[6]H)(CHH)(H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCH)(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>}	C(CC[6]H)(H)2	123.6730	0.000	1	123.6730	0.000	1	123.6730	0.000	1	123.7672	0.852	21	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:4:3:1:	3:2:1:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C-3:N-2:H-1:	C(C[6]C[6,6a]C[6]H)(CHN)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(CCH)(H)	C(CC[6]H)(NC)(H)	C(C[6]C[6,6a]C[6]H)(CHN)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(CCH)(H){1|H<1>,4|C<3>}	C(CC[6]H)(NC)(H)	124.6560	0.000	1	124.6560	0.000	1	124.6560	0.000	1	124.6560	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[5a,6]-3:C[6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[6]C[5a,6]C[6]H)(CC[6a]H)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]CH)(CCH)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[5a,6]C[6]H)(CC[6a]H)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]CH)(CCH)(H){1|C<4>,1|N<3>,2|C<3>}	C(C[6a]C[6a]2)(CC[6]H)(H)	125.0770	1.099	2	125.0770	1.207	2	125.0770	1.207	2	124.6461	2.153	11	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[5,6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[6]C[6,6a]C[5,6]H)(CC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(CCH)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6,6a]C[5,6]H)(CC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(CCH)(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C(C[6a]C[6a]2)(CC[6]H)(H)	124.7950	0.054	2	124.7950	0.003	2	124.7950	0.003	2	124.6461	2.153	11	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[6]C[6,6a]C[6]H)(CC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CCH)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6,6a]C[6]H)(CC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CCH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C(C[6a]C[6a]2)(CC[6]H)(H)	125.8240	0.000	1	125.8240	0.000	1	125.0470	3.448	5	124.6461	2.153	11	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[6]C[6,6a]C[6]H)(CC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6,6a]C[6]H)(CC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(CC[6]H)(H)	127.8810	0.000	1	125.4945	11.391	2	125.0470	3.448	5	124.6461	2.153	11	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[6]C[6,6a]C[6]H)(CC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6,6a]C[6]H)(CC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6a]C[6a]2)(CC[6]H)(H)	123.1080	0.000	1	125.4945	11.391	2	125.0470	3.448	5	124.6461	2.153	11	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[6]C[6,6a]C[6]H)(CC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCH)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6,6a]C[6]H)(CC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCH)(H){1|O<2>,2|H<1>,5|C<3>}	C(C[6a]C[6a]2)(CC[6]H)(H)	124.2110	0.031	2	124.2110	0.001	2	125.0470	3.448	5	124.6461	2.153	11	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	N[6]-3:C[6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[6]C[6]N[6]H)(CC[6a]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]CC)(CCH)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6]N[6]H)(CC[6a]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]CC)(CCH)(H){1|H<1>,5|C<3>}	C(C[6a]C[6a]2)(CC[6]H)(H)	123.4510	0.000	1	123.0640	0.300	2	123.0640	0.300	2	124.6461	2.153	11	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	N[6]-3:C[6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[6]C[6]N[6]H)(CC[6a]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]CC)(CCH)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6]N[6]H)(CC[6a]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]CC)(CCH)(H){6|C<3>}	C(C[6a]C[6a]2)(CC[6]H)(H)	122.6770	0.000	1	123.0640	0.300	2	123.0640	0.300	2	124.6461	2.153	11	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[5,6]-4:C-3:H-1:	C-3:C-4:H-1:	C(C[6]C[6,6a]C[5,6]H)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCH)(H)	C(CC[6]H)(CCHH)(H)	C(C[6]C[6,6a]C[5,6]H)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCH)(H){1|C<3>,1|O<1>,1|S<2>,2|H<1>,4|C<4>}	C(CC[6]H)(CCHH)(H)	124.6950	1.898	8	124.6950	3.604	8	124.6950	3.604	8	125.0977	3.270	11	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C-3:C-4:H-1:	C(C[6]C[6,6a]C[6]H)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCH)(H)	C(CC[6]H)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCH)(H){1|C<4>,1|H<1>,3|C<3>}	C(CC[6]H)(CCHH)(H)	127.5140	0.000	1	127.5140	0.000	1	126.1717	1.356	3	125.0977	3.270	11	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C-3:C-4:H-1:	C(C[6]C[6,6a]C[6]H)(CCH)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(CCH)(H)	C(CC[6]H)(CCHH)(H)	C(C[6]C[6,6a]C[6]H)(CCH)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(CCH)(H){1|C<4>,5|C<3>}	C(CC[6]H)(CCHH)(H)	125.5005	0.097	2	125.5005	0.009	2	126.1717	1.356	3	125.0977	3.270	11	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:4:3:1:	3:4:3:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C-3:C-4:C-3:	C(C[6]C[6,6a]C[6]H)(CCC)(H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HN)(CCH)(H)	C(CC[6]H)(CH3)(COO)	C(C[6]C[6,6a]C[6]H)(CCC)(H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HN)(CCH)(H){3|C<3>,3|H<1>}	C(CC[6]H)(CH3)(COO)	130.2130	0.000	1	130.2130	0.000	1	130.2130	0.000	1	130.2130	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:4:3:1:	3:4:4:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C-3:C-4:C-4:	C(C[6]C[6,6a]C[6]H)(CCC)(H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HN)(CCH)(H)	C(CC[6]H)(CHHO)(CH3)	C(C[6]C[6,6a]C[6]H)(CCC)(H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HN)(CCH)(H){3|C<3>,3|H<1>}	C(CC[6]H)(CHHO)(CH3)	127.2460	0.891	2	127.2460	0.794	2	127.3316	0.934	5	127.3316	0.934	5	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:4:3:1:	3:4:4:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C-3:C-4:C-4:	C(C[6]C[6,6a]C[6]H)(CCC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]CH)(CCH)(H)	C(CC[6]H)(CH3)2	C(C[6]C[6,6a]C[6]H)(CCC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]CH)(CCH)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C(CC[6]H)(CH3)2	127.3887	1.208	3	127.3887	1.459	3	127.3316	0.934	5	127.3316	0.934	5	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:4:3:1:	4:3:4:	C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:C-3:H-1:	C-4:C-3:C-4:	C(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]HH)(CCH)(H)	C(CC[5]HH)(CC[6]H)(CH3)	C(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]HH)(CCH)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C(CC[5]HH)(CC[6]H)(CH3)	126.3425	0.169	2	126.3425	0.029	2	126.3425	0.029	2	126.3425	0.029	2	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:4:3:2:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:C-3:O-2:	C-3:H-1:H-1:	C(C[6]C[6]2O)(CHH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(CCH)(OH)	C(CC[6]H)(H)2	C(C[6]C[6]2O)(CHH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(CCH)(OH){2|C<3>,2|H<1>}	C(CC[6]H)(H)2	124.0210	0.168	2	124.0210	0.028	2	124.0210	0.028	2	124.0210	0.028	2	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:4:3:2:	3:3:1:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C-3:O-2:	C-3:C-3:H-1:	C(C[6]C[6,6a]C[6]O)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CCH)(OH)	C(CC[6]H)(CCC)(H)	C(C[6]C[6,6a]C[6]O)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CCH)(OH){3|C<3>,3|H<1>}	C(CC[6]H)(CCC)(H)	124.5150	0.000	1	124.5150	0.000	1	124.5150	0.000	1	124.5150	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:4:3:3:	3:3:1:	C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:C-3:	C-3:C-3:H-1:	C(C[6]C[6a]C[6]2)(CCH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)(CCH)	C(CC[6]H)(CCH)(H)	C(C[6]C[6a]C[6]2)(CCH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)(CCH){1|C<4>,3|C<3>,4|H<1>}	C(CC[6]H)(CCH)(H)	127.6800	0.000	1	127.6800	0.000	1	127.6800	0.000	1	127.6800	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:4:4:3:	3:1:1:	C[6]-4:C-3:H-1:	C[5a,6]-3:C[6]-4:C-4:C-3:	C-3:H-1:H-1:	C(C[6]C[5a,6]C[6]C)(CHH)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)(CCH)	C(CC[6]H)(H)2	C(C[6]C[5a,6]C[6]C)(CHH)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)(CCH){1|C<4>,2|H<1>,3|C<3>}	C(CC[6]H)(H)2	129.8945	3.094	2	129.8945	9.570	2	129.8945	9.570	2	130.5540	34.663	26	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:4:4:3:	3:1:1:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C-4:C-3:	C-3:H-1:H-1:	C(C[6]C[6,6a]C[6]C)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)(CCH)	C(CC[6]H)(H)2	C(C[6]C[6,6a]C[6]C)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)(CCH){1|N<3>,2|H<1>,3|C<3>}	C(CC[6]H)(H)2	128.8370	0.000	1	128.8370	0.000	1	128.8370	0.000	1	130.5540	34.663	26	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:4:4:3:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:C-4:C-3:	C-3:H-1:H-1:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH)	C(CC[6]H)(H)2	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(CC[6]H)(H)2	127.1880	0.837	2	130.9195	46.355	19	130.8650	39.837	22	130.5540	34.663	26	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:4:4:3:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:C-4:C-3:	C-3:H-1:H-1:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH)	C(CC[6]H)(H)2	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C(CC[6]H)(H)2	129.3610	3.073	5	130.9195	46.355	19	130.8650	39.837	22	130.5540	34.663	26	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:4:4:3:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:C-4:C-3:	C-3:H-1:H-1:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH)	C(CC[6]H)(H)2	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH){1|H<1>,1|O<2>,2|C<4>}	C(CC[6]H)(H)2	130.4870	1.614	3	130.9195	46.355	19	130.8650	39.837	22	130.5540	34.663	26	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:4:4:3:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:C-4:C-3:	C-3:H-1:H-1:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH)	C(CC[6]H)(H)2	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH){1|O<1>,2|C<4>}	C(CC[6]H)(H)2	127.4880	0.000	1	130.9195	46.355	19	130.8650	39.837	22	130.5540	34.663	26	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:4:4:3:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:C-4:C-3:	C-3:H-1:H-1:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH)	C(CC[6]H)(H)2	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH){2|C<4>,2|H<1>}	C(CC[6]H)(H)2	133.4175	9.917	8	130.9195	46.355	19	130.8650	39.837	22	130.5540	34.663	26	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:4:4:3:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:C-4:C-3:	C-3:H-1:H-1:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3)(CCH)	C(CC[6]H)(H)2	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C(CC[6]H)(H)2	130.1265	0.921	2	130.1265	0.849	2	130.8650	39.837	22	130.5540	34.663	26	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:4:4:3:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:C-4:C-3:	C-3:H-1:H-1:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)(CCH)	C(CC[6]H)(H)2	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C(CC[6]H)(H)2	131.3060	0.000	1	131.3060	0.000	1	130.8650	39.837	22	130.5540	34.663	26	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	3:4:4:3:	3:1:1:	C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C-3:H-1:H-1:	C(C[6]C[6a]C[6]2)(CHH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(CCH)	C(CC[6]H)(H)2	C(C[6]C[6a]C[6]2)(CHH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(CCH){1|N<3>,3|C<3>,5|H<1>}	C(CC[6]H)(H)2	126.7480	0.000	1	126.7480	0.000	1	126.7480	0.000	1	130.5540	34.663	26	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:2:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[5,6,6]-4:O[6]-2:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[5,6,6]O[6]H)(CHH)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[6]C[6])(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[5,6,6]O[6]H)(CHH)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[6]C[6])(CCH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C(CC[6]H)(H)2	122.5400	0.000	1	122.5400	0.000	1	122.5400	0.000	1	125.3387	5.428	23	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:2:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[5,6]-4:N[6]-2:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[5,6]N[6]H)(CHH)(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6])(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[5,6]N[6]H)(CHH)(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6])(CCH)(H){1|O<2>,2|H<1>,3|C<4>}	C(CC[6]H)(H)2	130.7720	0.000	1	130.7720	0.000	1	130.7720	0.000	1	125.3387	5.428	23	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:2:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6,6]-4:O[6]-2:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6,6]O[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6,6]O[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCH)(H){1|C<3>,2|C<4>,4|H<1>}	C(CC[6]H)(H)2	125.3410	0.000	1	125.3410	0.000	1	125.3410	0.000	1	125.3387	5.428	23	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:2:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:N[6]-2:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]N[6]H)(CHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6])(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6]N[6]H)(CHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6])(CCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(CC[6]H)(H)2	126.5670	0.000	1	126.5670	0.000	1	126.5670	0.000	1	125.3387	5.428	23	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:2:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]O[6]H)(CHH)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6]O[6]H)(CHH)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(CC[6]H)(H)2	125.5578	1.328	5	125.0568	2.917	6	125.1763	4.966	17	125.3387	5.428	23	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:2:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]O[6]H)(CHH)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6]O[6]H)(CHH)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H){1|H<1>,2|C<4>,2|S<4>}	C(CC[6]H)(H)2	122.5520	0.000	1	125.0568	2.917	6	125.1763	4.966	17	125.3387	5.428	23	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:2:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]O[6]H)(CHH)(H)	C[6](C[6]C[6]HH)(O[6]N[6])(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6]O[6]H)(CHH)(H)	C[6](C[6]C[6]HH)(O[6]N[6])(CCH)(H){1|C<4>,3|C<3>}	C(CC[6]H)(H)2	124.3170	0.000	1	124.3170	0.000	1	125.1763	4.966	17	125.3387	5.428	23	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:2:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]O[6]H)(CHH)(H)	C[6](C[6]C[6]HH)(O[6]P[6])(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6]O[6]H)(CHH)(H)	C[6](C[6]C[6]HH)(O[6]P[6])(CCH)(H){1|B<4>,1|C<3>,1|H<1>,2|O<2>}	C(CC[6]H)(H)2	123.6765	0.316	2	123.5667	0.086	3	125.1763	4.966	17	125.3387	5.428	23	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:2:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]O[6]H)(CHH)(H)	C[6](C[6]C[6]HH)(O[6]P[6])(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6]O[6]H)(CHH)(H)	C[6](C[6]C[6]HH)(O[6]P[6])(CCH)(H){1|C<3>,1|H<1>,1|O<1>,2|O<2>}	C(CC[6]H)(H)2	123.3470	0.000	1	123.5667	0.086	3	125.1763	4.966	17	125.3387	5.428	23	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:2:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]O[6]H)(CHH)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6]O[6]H)(CHH)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCH)(H){2|C<4>,3|H<1>}	C(CC[6]H)(H)2	124.5950	0.000	1	125.5300	1.748	2	125.1763	4.966	17	125.3387	5.428	23	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:2:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]O[6]H)(CHH)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6]O[6]H)(CHH)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCH)(H){2|H<1>,3|C<4>}	C(CC[6]H)(H)2	126.4650	0.000	1	125.5300	1.748	2	125.1763	4.966	17	125.3387	5.428	23	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:2:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]O[6]H)(CHH)(H)	C[6](C[6]N[6]HH)(O[6]C[6])(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6]O[6]H)(CHH)(H)	C[6](C[6]N[6]HH)(O[6]C[6])(CCH)(H){1|C<4>,1|O<1>,1|S<4>}	C(CC[6]H)(H)2	123.7220	0.000	1	126.3158	11.904	5	125.1763	4.966	17	125.3387	5.428	23	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:2:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]O[6]H)(CHH)(H)	C[6](C[6]N[6]HH)(O[6]C[6])(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6]O[6]H)(CHH)(H)	C[6](C[6]N[6]HH)(O[6]C[6])(CCH)(H){1|S<4>,2|C<3>}	C(CC[6]H)(H)2	126.9643	3.615	4	126.3158	11.904	5	125.1763	4.966	17	125.3387	5.428	23	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:2:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C-3:H-1:I-1:	C(C[6]C[6]O[6]H)(CHI)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H)	C(CC[6]H)(H)(I)	C(C[6]C[6]O[6]H)(CHI)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H){2|C<4>,3|H<1>}	C(CC[6]H)(H)(I)	124.7860	0.173	2	124.7860	0.030	2	124.7860	0.030	2	125.3387	5.428	23	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:2:3:1:	3:2:1:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C-3:O-2:H-1:	C(C[6]C[6]O[6]H)(CHO)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H)	C(CC[6]H)(OC[6a])(H)	C(C[6]C[6]O[6]H)(CHO)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(CC[6]H)(OC[6a])(H)	128.6220	0.000	1	128.6220	0.000	1	128.6220	0.000	1	126.9030	5.910	2	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:2:3:1:	3:2:1:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C-3:S-2:H-1:	C(C[6]C[6]O[6]H)(CHS)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H)	C(CC[6]H)(SC[6a])(H)	C(C[6]C[6]O[6]H)(CHS)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(CC[6]H)(SC[6a])(H)	125.1840	0.000	1	125.1840	0.000	1	125.1840	0.000	1	126.9030	5.910	2	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:2:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6,6]-4:O[6]-2:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[6]C[6,6]O[6]H)(CC[6a]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCH)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6,6]O[6]H)(CC[6a]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCH)(H){1|C<3>,3|H<1>,4|C<4>}	C(C[6a]C[6a]2)(CC[6]H)(H)	127.9270	0.000	1	127.9270	0.000	1	127.9270	0.000	1	124.0787	9.944	15	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:2:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C-3:C-3:H-1:	C(C[6]C[6]O[6]H)(CCH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCH)(H)	C(CC[6]H)(CCO)(H)	C(C[6]C[6]O[6]H)(CCH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCH)(H){1|C<4>,1|O<2>,3|H<1>}	C(CC[6]H)(CCO)(H)	129.9670	0.000	1	129.9670	0.000	1	126.5930	22.768	2	124.0787	9.944	15	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:2:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C-3:C-3:H-1:	C(C[6]C[6]O[6]H)(CCH)(H)	C[6](C[6]O[6]CH)(O[6]C[6])(CCH)(H)	C(CC[6]H)(COO)(H)	C(C[6]C[6]O[6]H)(CCH)(H)	C[6](C[6]O[6]CH)(O[6]C[6])(CCH)(H){1|O<2>,2|C<4>}	C(CC[6]H)(COO)(H)	123.2190	0.000	1	123.2190	0.000	1	126.5930	22.768	2	124.0787	9.944	15	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:2:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[6]C[6]O[6]H)(CC[6a]H)(H)	C[6](C[6]C[6,6a]C[6a]H)(O[6]C[6])(CCH)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6]O[6]H)(CC[6a]H)(H)	C[6](C[6]C[6,6a]C[6a]H)(O[6]C[6])(CCH)(H){2|H<1>,4|C<3>}	C(C[6a]C[6a]2)(CC[6]H)(H)	122.1500	0.000	1	122.1500	0.000	1	123.4517	8.074	11	124.0787	9.944	15	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:2:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[6]C[6]O[6]H)(CC[6a]H)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCH)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6]O[6]H)(CC[6a]H)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCH)(H){1|C<4>,1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(CC[6]H)(H)	122.1690	0.000	1	122.1690	0.000	1	123.4517	8.074	11	124.0787	9.944	15	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:2:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[6]C[6]O[6]H)(CC[6a]H)(H)	C[6](C[6]C[6]FH)(O[6]C[6])(CCH)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6]O[6]H)(CC[6a]H)(H)	C[6](C[6]C[6]FH)(O[6]C[6])(CCH)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(CC[6]H)(H)	124.9640	0.000	1	124.9640	0.000	1	123.4517	8.074	11	124.0787	9.944	15	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:2:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[6]C[6]O[6]H)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCH)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6]O[6]H)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCH)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(CC[6]H)(H)	123.3370	0.000	1	123.3370	0.000	1	123.4517	8.074	11	124.0787	9.944	15	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:2:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[6]C[6]O[6]H)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6]O[6]H)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6a]C[6a]2)(CC[6]H)(H)	123.5675	4.980	4	123.6662	14.964	6	123.4517	8.074	11	124.0787	9.944	15	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:2:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[6]C[6]O[6]H)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6]O[6]H)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(CC[6]H)(H)	123.8635	0.549	2	123.6662	14.964	6	123.4517	8.074	11	124.0787	9.944	15	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:2:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[6]C[6]O[6]H)(CC[6a]H)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCH)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6]O[6]H)(CC[6a]H)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCH)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(CC[6]H)(H)	123.3520	0.000	1	123.3520	0.000	1	123.4517	8.074	11	124.0787	9.944	15	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:2:3:1:	3:3:1:	C[6]-4:C-3:H-1:	P[6]-4:O[6]-2:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[6]O[6]P[6]H)(CC[6a]H)(H)	C[6](P[6]C[6a]2C[6])(O[6]B[6])(CCH)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]O[6]P[6]H)(CC[6a]H)(H)	C[6](P[6]C[6a]2C[6])(O[6]B[6])(CCH)(H){1|C<4>,2|H<1>,6|C<3>}	C(C[6a]C[6a]2)(CC[6]H)(H)	122.0980	0.000	1	122.0980	0.000	1	122.0980	0.000	1	124.0787	9.944	15	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:2:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C-3:C-4:H-1:	C(C[6]C[6]O[6]H)(CCH)(H)	C[6](C[6]C[6,6]HH)(O[6]B[6])(CCH)(H)	C(CC[6]H)(CH3)(H)	C(C[6]C[6]O[6]H)(CCH)(H)	C[6](C[6]C[6,6]HH)(O[6]B[6])(CCH)(H){1|C<3>,1|N<3>,2|C<4>}	C(CC[6]H)(CH3)(H)	124.8800	0.000	1	124.8800	0.000	1	126.0313	6.351	11	126.0313	6.351	11	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:2:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C-3:C-4:H-1:	C(C[6]C[6]O[6]H)(CCH)(H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCH)(H)	C(CC[6]H)(CCHO)(H)	C(C[6]C[6]O[6]H)(CCH)(H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCH)(H){1|C<3>,1|O<1>,2|C<4>}	C(CC[6]H)(CCHO)(H)	129.8480	0.000	1	129.8480	0.000	1	126.0313	6.351	11	126.0313	6.351	11	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:2:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C-3:C-4:H-1:	C(C[6]C[6]O[6]H)(CCH)(H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCH)(H)	C(CC[6]H)(CH3)(H)	C(C[6]C[6]O[6]H)(CCH)(H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCH)(H){1|C<3>,1|C<4>,1|O<1>}	C(CC[6]H)(CH3)(H)	123.5860	0.000	1	123.5860	0.000	1	126.0313	6.351	11	126.0313	6.351	11	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:2:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C-3:C-4:H-1:	C(C[6]C[6]O[6]H)(CCH)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H)	C(CC[6]H)(CH3)(H)	C(C[6]C[6]O[6]H)(CCH)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H){1|C<3>,1|O<1>,1|O<2>}	C(CC[6]H)(CH3)(H)	124.2960	0.000	1	124.2960	0.000	1	126.0313	6.351	11	126.0313	6.351	11	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:2:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C-3:C-4:H-1:	C(C[6]C[6]O[6]H)(CCH)(H)	C[6](C[6]C[6]HH)(O[6]P[6])(CCH)(H)	C(CC[6]H)(CHHO)(H)	C(C[6]C[6]O[6]H)(CCH)(H)	C[6](C[6]C[6]HH)(O[6]P[6])(CCH)(H){1|B<4>,1|C<3>,1|H<1>,2|O<2>}	C(CC[6]H)(CHHO)(H)	128.3365	0.057	2	128.5403	0.126	3	126.0313	6.351	11	126.0313	6.351	11	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:2:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C-3:C-4:H-1:	C(C[6]C[6]O[6]H)(CCH)(H)	C[6](C[6]C[6]HH)(O[6]P[6])(CCH)(H)	C(CC[6]H)(CHHO)(H)	C(C[6]C[6]O[6]H)(CCH)(H)	C[6](C[6]C[6]HH)(O[6]P[6])(CCH)(H){1|C<3>,1|H<1>,1|O<1>,2|O<2>}	C(CC[6]H)(CHHO)(H)	128.9480	0.000	1	128.5403	0.126	3	126.0313	6.351	11	126.0313	6.351	11	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:2:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C-3:C-4:H-1:	C(C[6]C[6]O[6]H)(CCH)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(CCH)(H)	C(CC[6]H)(CCHH)(H)	C(C[6]C[6]O[6]H)(CCH)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(CCH)(H){1|O<2>,2|C<4>,2|H<1>}	C(CC[6]H)(CCHH)(H)	124.5282	1.866	4	124.5282	3.484	4	126.0313	6.351	11	126.0313	6.351	11	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:2:3:1:	3:4:4:	C[6]-4:C-3:H-1:	C[3x6]-4:O[6]-2:C-3:H-1:	C-3:C-4:C-4:	C(C[6]C[3x6]O[6]H)(CCC)(H)	C[6](C[3x6]C[3x6]C[6]2)(O[6]N[5,6])(CCH)(H)	C(CC[6]H)(CH3)2	C(C[6]C[3x6]O[6]H)(CCC)(H)	C[6](C[3x6]C[3x6]C[6]2)(O[6]N[5,6])(CCH)(H){1|O<2>,4|C<4>,5|H<1>}	C(CC[6]H)(CH3)2	127.5820	0.412	2	127.5820	0.169	2	127.0258	1.433	4	126.9508	0.921	6	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:2:3:1:	3:4:4:	C[6]-4:C-3:H-1:	C[3x6]-4:O[6]-2:C-3:H-1:	C-3:C-4:C-4:	C(C[6]C[3x6]O[6]H)(CCC)(H)	C[6](C[3x6]C[4x6]C[6,6]C)(O[6]N[6])(CCH)(H)	C(CC[6]H)(CH3)2	C(C[6]C[3x6]O[6]H)(CCC)(H)	C[6](C[3x6]C[4x6]C[6,6]C)(O[6]N[6])(CCH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C(CC[6]H)(CH3)2	126.4695	1.701	2	126.4695	2.892	2	127.0258	1.433	4	126.9508	0.921	6	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:2:3:1:	3:4:4:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C-3:C-4:C-4:	C(C[6]C[6]O[6]H)(CCC)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCH)(H)	C(CC[6]H)(CCHH)(CH3)	C(C[6]C[6]O[6]H)(CCC)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCH)(H){2|H<1>,3|C<4>}	C(CC[6]H)(CCHH)(CH3)	126.8010	0.488	2	126.8010	0.238	2	126.8010	0.238	2	126.9508	0.921	6	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:2:3:1:	4:3:1:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C[6]-4:C-3:H-1:	C(C[6]C[6]O[6]H)(CC[6]H)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H)	C(C[6]C[6,6]C[6]H)(CC[6]H)(H)	C(C[6]C[6]O[6]H)(CC[6]H)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6,6]C[6]H)(CC[6]H)(H)	125.4510	0.000	2	125.4510	0.000	2	125.4510	0.000	2	125.4510	0.000	2	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:2:3:1:	4:3:4:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C-4:C-3:C-4:	C(C[6]C[6]O[6]H)(CCC)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCH)(H)	C(CC[5]HH)(CC[6]H)(CH3)	C(C[6]C[6]O[6]H)(CCC)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCH)(H){2|H<1>,3|C<4>}	C(CC[5]HH)(CC[6]H)(CH3)	124.9640	0.000	1	124.9640	0.000	1	124.9640	0.000	1	124.9640	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:2:3:3:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6]C[6]O[6]C)(CC[6a]H)(H)	C[6](C[6]C[6]ClH)(O[6]C[6])(CCH)(COO)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6]O[6]C)(CC[6a]H)(H)	C[6](C[6]C[6]ClH)(O[6]C[6])(CCH)(COO){1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6]H)(H)	124.7190	0.000	1	124.7190	0.000	1	124.7190	0.000	1	124.7190	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:2:4:3:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-4:C-3:	C-3:H-1:H-1:	C(C[6]C[6]O[6]C)(CHH)(H)	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(CH3)(CCH)	C(CC[6]H)(H)2	C(C[6]C[6]O[6]C)(CHH)(H)	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(CH3)(CCH){1|H<1>,1|O<2>,3|C<4>}	C(CC[6]H)(H)2	127.4920	0.000	1	127.4920	0.000	1	127.2797	0.499	7	127.2797	0.499	7	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:2:4:3:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-4:C-3:	C-3:H-1:H-1:	C(C[6]C[6]O[6]C)(CHH)(H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(CCH)	C(CC[6]H)(H)2	C(C[6]C[6]O[6]C)(CHH)(H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(CCH){1|H<1>,1|O<2>,3|C<4>}	C(CC[6]H)(H)2	126.1810	0.000	1	127.2443	0.588	6	127.2797	0.499	7	127.2797	0.499	7	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:2:4:3:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-4:C-3:	C-3:H-1:H-1:	C(C[6]C[6]O[6]C)(CHH)(H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(CCH)	C(CC[6]H)(H)2	C(C[6]C[6]O[6]C)(CHH)(H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(CCH){1|O<1>,3|C<4>}	C(CC[6]H)(H)2	127.2200	0.000	1	127.2443	0.588	6	127.2797	0.499	7	127.2797	0.499	7	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:2:4:3:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-4:C-3:	C-3:H-1:H-1:	C(C[6]C[6]O[6]C)(CHH)(H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(CCH)	C(CC[6]H)(H)2	C(C[6]C[6]O[6]C)(CHH)(H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(CCH){2|H<1>,3|C<4>}	C(CC[6]H)(H)2	127.5162	0.711	4	127.2443	0.588	6	127.2797	0.499	7	127.2797	0.499	7	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:2:4:3:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-4:C-3:	C-3:C-3:H-1:	C(C[6]C[6]O[6]C)(CCH)(H)	C[6](C[6]O[6]HH)(O[6]O[6])(CH3)(CCH)	C(CC[6]H)(CNO)(H)	C(C[6]C[6]O[6]C)(CCH)(H)	C[6](C[6]O[6]HH)(O[6]O[6])(CH3)(CCH){1|C<4>}	C(CC[6]H)(CNO)(H)	126.5110	0.000	1	126.5110	0.000	1	126.5110	0.000	1	126.5110	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:2:4:3:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-4:C-3:	C-3:C-4:H-1:	C(C[6]C[6]O[6]C)(CCH)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(CCH)	C(CC[6]H)(CCCO)(H)	C(C[6]C[6]O[6]C)(CCH)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(CCH){2|C<4>,3|H<1>}	C(CC[6]H)(CCCO)(H)	122.7220	0.000	1	122.7220	0.000	1	122.7220	0.000	1	122.7220	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:2:4:3:	3:4:4:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-4:C-3:	C-3:C-4:C-4:	C(C[6]C[6]O[6]C)(CCC)(H)	C[6](C[6]C[6,6]HH)(O[6]C[5,6])(CH3)(CCH)	C(CC[6]H)(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CCC)(H)	C[6](C[6]C[6,6]HH)(O[6]C[5,6])(CH3)(CCH){2|C<3>,2|C<4>}	C(CC[6]H)(CCHH)(CH3)	128.1370	0.000	1	128.1370	0.000	1	128.1370	0.000	1	128.1370	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6,6a]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6,6a]C[5,6]H)(CHH)(H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6,6a]C[5,6]H)(CHH)(H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(CCH)(H){2|H<1>,2|N<3>,4|C<3>}	C(CC[6]H)(H)2	123.1130	0.000	1	123.1130	0.000	1	122.9205	0.074	2	124.7617	2.317	18	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6,6a]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6,6a]C[5,6]H)(CHH)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6,6a]C[5,6]H)(CHH)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(CCH)(H){1|O<1>,2|H<1>,2|N<3>,5|C<3>}	C(CC[6]H)(H)2	122.7280	0.000	1	122.7280	0.000	1	122.9205	0.074	2	124.7617	2.317	18	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCH)(H){1|C<3>,2|C<4>,5|H<1>}	C(CC[6]H)(H)2	123.8900	0.000	1	124.5880	0.974	2	124.5880	0.974	2	124.7617	2.317	18	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCH)(H){3|C<4>,5|H<1>}	C(CC[6]H)(H)2	125.2860	0.000	1	124.5880	0.974	2	124.5880	0.974	2	124.7617	2.317	18	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6,6]-4:N[6]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6,6]N[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6,6]N[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(CCH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C(CC[6]H)(H)2	124.6730	0.000	1	124.6730	0.000	1	124.4530	0.097	2	124.7617	2.317	18	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6,6]-4:N[6]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6,6]N[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]S[6]H)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6,6]N[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]S[6]H)(CCH)(H){1|N<3>,2|C<4>,2|O<1>,3|H<1>}	C(CC[6]H)(H)2	124.2330	0.000	1	124.2330	0.000	1	124.4530	0.097	2	124.7617	2.317	18	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CCH)(H){1|H<1>,3|C<4>}	C(CC[6]H)(H)2	124.5810	0.000	1	126.0160	4.118	2	125.3693	2.622	6	124.7617	2.317	18	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CCH)(H){2|C<4>,2|H<1>}	C(CC[6]H)(H)2	127.4510	0.000	1	126.0160	4.118	2	125.3693	2.622	6	124.7617	2.317	18	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCH)(H){1|Cl<1>,1|C<3>,1|C<4>}	C(CC[6]H)(H)2	123.4780	0.000	1	123.4780	0.000	1	125.3693	2.622	6	124.7617	2.317	18	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(CCH)(H){1|C<3>,1|C<4>,1|H<1>}	C(CC[6]H)(H)2	124.2920	0.000	1	124.2920	0.000	1	125.3693	2.622	6	124.7617	2.317	18	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)(H){1|C<4>,3|H<1>}	C(CC[6]H)(H)2	125.2030	0.000	1	126.2070	2.016	2	125.3693	2.622	6	124.7617	2.317	18	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)(H){2|C<4>,2|H<1>}	C(CC[6]H)(H)2	127.2110	0.000	1	126.2070	2.016	2	125.3693	2.622	6	124.7617	2.317	18	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]N[6]H)(CHH)(H)	C[6](C[6]C[5,6]HH)(N[6]S[6]H)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6]N[6]H)(CHH)(H)	C[6](C[6]C[5,6]HH)(N[6]S[6]H)(CCH)(H){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C(CC[6]H)(H)2	126.3770	0.000	1	126.3770	0.000	1	124.9287	3.144	6	124.7617	2.317	18	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]N[6]H)(CHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6]N[6]H)(CHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(CC[6]H)(H)2	125.6550	1.051	2	124.9537	3.740	4	124.9287	3.144	6	124.7617	2.317	18	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]N[6]H)(CHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6]N[6]H)(CHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCH)(H){1|H<1>,1|O<1>,2|C<4>}	C(CC[6]H)(H)2	124.2525	2.855	2	124.9537	3.740	4	124.9287	3.144	6	124.7617	2.317	18	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]N[6]H)(CHH)(H)	C[6](C[6]C[6]HH)(N[6]S[6]H)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6]N[6]H)(CHH)(H)	C[6](C[6]C[6]HH)(N[6]S[6]H)(CCH)(H){1|C<4>,1|H<1>,1|O<2>,2|O<1>}	C(CC[6]H)(H)2	123.3800	0.000	1	123.3800	0.000	1	124.9287	3.144	6	124.7617	2.317	18	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C(C[6]C[5,6]C[6]H)(CCH)(H)	C[6](C[5,6]C[5]2N[6])(C[6]C[6]O)(CCH)(H)	C(CC[6]H)(CCH)(H)	C(C[6]C[5,6]C[6]H)(CCH)(H)	C[6](C[5,6]C[5]2N[6])(C[6]C[6]O)(CCH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C(CC[6]H)(CCH)(H)	128.4860	0.000	1	128.4860	0.000	1	128.4860	0.000	1	124.3578	12.765	31	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[6]C[5,6]C[6]H)(CC[6a]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CCH)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[5,6]C[6]H)(CC[6a]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CCH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(CC[6]H)(H)	124.2955	0.919	2	124.2955	0.844	2	124.2955	0.844	2	124.3578	12.765	31	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-3:C-3:H-1:	C[5]-3:C-3:H-1:	C(C[6]C[6,6]C[6]H)(CC[5]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCH)(H)	C(C[5]C[5]2)(CC[6]H)(H)	C(C[6]C[6,6]C[6]H)(CC[5]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCH)(H){1|C<3>,2|C<4>,5|H<1>}	C(C[5]C[5]2)(CC[6]H)(H)	122.3330	0.000	1	123.5178	0.837	6	123.5178	0.837	6	124.3578	12.765	31	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-3:C-3:H-1:	C[5]-3:C-3:H-1:	C(C[6]C[6,6]C[6]H)(CC[5]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCH)(H)	C(C[5]C[5]2)(CC[6]H)(H)	C(C[6]C[6,6]C[6]H)(CC[5]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCH)(H){3|C<4>,5|H<1>}	C(C[5]C[5]2)(CC[6]H)(H)	123.7548	0.790	5	123.5178	0.837	6	123.5178	0.837	6	124.3578	12.765	31	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C(C[6]C[6,6]C[6]H)(CC[5a]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCH)(H)	C(C[5a]C[5a]2)(CC[6]H)(H)	C(C[6]C[6,6]C[6]H)(CC[5a]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCH)(H){1|C<3>,2|C<4>,4|H<1>}	C(C[5a]C[5a]2)(CC[6]H)(H)	124.8980	0.000	1	124.8980	0.000	1	124.8980	0.000	1	124.3578	12.765	31	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:Cl-1:	C-3:C-3:H-1:	C(C[6]C[6]2Cl)(CCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCH)(Cl)	C(CC[6]H)(CCH)(H)	C(C[6]C[6]2Cl)(CCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCH)(Cl){1|C<4>,1|H<1>,2|C<3>}	C(CC[6]H)(CCH)(H)	128.1840	0.000	1	128.1840	0.000	1	128.1840	0.000	1	124.3578	12.765	31	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(CCH)(H)	C(CC[6]H)(CCH)(H)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(CCH)(H){1|C<4>,2|C<3>,2|H<1>}	C(CC[6]H)(CCH)(H)	122.7940	0.000	1	122.7940	0.000	1	125.7998	10.736	12	124.3578	12.765	31	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[5,6]HH)(C[6]O[6]C)(CCH)(H)	C(CC[6]H)(CCH)(H)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[5,6]HH)(C[6]O[6]C)(CCH)(H){1|C<3>,1|C<4>}	C(CC[6]H)(CCH)(H)	121.2513	0.873	3	121.2513	0.762	3	125.7998	10.736	12	124.3578	12.765	31	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(CCH)(H)	C(CC[6]H)(CCH)(H)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(CCH)(H){1|C<3>,1|H<1>,2|C<4>}	C(CC[6]H)(CCH)(H)	125.1190	0.000	1	125.1190	0.000	1	125.7998	10.736	12	124.3578	12.765	31	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CCH)(H)	C(CC[6]H)(CCH)(H)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CCH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(CC[6]H)(CCH)(H)	129.3820	0.000	1	129.3820	0.000	1	125.7998	10.736	12	124.3578	12.765	31	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCH)(H)	C(CC[6]H)(CCH)(H)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCH)(H){1|Cl<1>,1|C<4>,2|C<3>}	C(CC[6]H)(CCH)(H)	127.7210	0.000	1	127.7210	0.000	1	125.7998	10.736	12	124.3578	12.765	31	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCH)(H)	C(CC[6]H)(CCH)(H)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCH)(H){1|C<4>,2|H<1>,3|C<3>}	C(CC[6]H)(CCH)(H)	128.1275	0.565	2	128.1275	0.319	2	125.7998	10.736	12	124.3578	12.765	31	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(CCH)(H)	C(CC[6]H)(COO)(H)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(CCH)(H){1|H<1>,6|C<3>}	C(CC[6]H)(COO)(H)	128.0165	0.012	2	128.0165	0.000	2	125.7998	10.736	12	124.3578	12.765	31	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(CCH)(H)	C(CC[6]H)(CCH)(H)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(CCH)(H){1|C<3>,1|C<4>,2|H<1>}	C(CC[6]H)(CCH)(H)	128.5390	0.000	1	128.5390	0.000	1	125.7998	10.736	12	124.3578	12.765	31	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[6]C[6]N[6]H)(CC[6a]H)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(CCH)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6]N[6]H)(CC[6a]H)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(CCH)(H){1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6]H)(H)	121.0580	0.000	1	121.0580	0.000	1	124.8342	4.728	5	124.3578	12.765	31	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[6]C[6]N[6]H)(CC[6a]H)(H)	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCH)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6]N[6]H)(CC[6a]H)(H)	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCH)(H){1|O<1>,1|O<2>,2|H<1>}	C(C[6a]C[6a]2)(CC[6]H)(H)	126.4570	0.000	1	126.4570	0.000	1	124.8342	4.728	5	124.3578	12.765	31	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[6]C[6]N[6]H)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCH)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6]N[6]H)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCH)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(CC[6]H)(H)	125.3530	0.000	1	125.3530	0.000	1	124.8342	4.728	5	124.3578	12.765	31	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[6]C[6]N[6]H)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCH)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6]N[6]H)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCH)(H){1|C<4>,1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(CC[6]H)(H)	126.1060	0.000	1	126.1060	0.000	1	124.8342	4.728	5	124.3578	12.765	31	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[6]C[6]N[6]H)(CC[6a]H)(H)	C[6](C[6]C[6]HI)(N[6]C[6]S)(CCH)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6]N[6]H)(CC[6a]H)(H)	C[6](C[6]C[6]HI)(N[6]C[6]S)(CCH)(H){1|N<3>,1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(CC[6]H)(H)	125.1970	0.000	1	125.1970	0.000	1	124.8342	4.728	5	124.3578	12.765	31	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C-3:O-1:	C[6]-4:C[6]-3:C-3:H-1:	C-3:C-3:Br-1:	C(C[6]C[6]2H)(CBrC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCO)(H)	C(CC[6]H)(CC[6]O)(Br)	C(C[6]C[6]2H)(CBrC)(O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCO)(H){1|C<4>,1|H<1>,1|O<1>}	C(CC[6]H)(CC[6]O)(Br)	116.1270	0.436	2	116.1270	0.190	2	116.1270	0.190	2	124.3578	12.765	31	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C-3:O-1:	C[6]-4:C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C(C[6]C[6]2H)(CCH)(O)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(CCO)(H)	C(CC[6]O)(CCO)(H)	C(C[6]C[6]2H)(CCH)(O)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(CCO)(H){5|C<3>}	C(CC[6]O)(CCO)(H)	117.8050	0.000	1	117.8050	0.000	1	117.8050	0.000	1	124.3578	12.765	31	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	3:3:2:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-3:C-3:H-1:	C-3:C-3:O-2:	C(C[6]C[6,6]C[6]H)(CCO)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCH)(H)	C(CC[6]H)(CCO)(OH)	C(C[6]C[6,6]C[6]H)(CCO)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCH)(H){3|C<4>,5|H<1>}	C(CC[6]H)(CCO)(OH)	122.3900	0.000	1	122.3900	0.000	1	122.3900	0.000	1	121.0063	18.538	3	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	3:3:2:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C-3:C-3:O-2:	C(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]OO)(C[6]C[6]H)(CCH)(H)	C(CC[6]H)(CC[6]O)(OC)	C(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]OO)(C[6]C[6]H)(CCH)(H){1|C<4>,3|H<1>}	C(CC[6]H)(CC[6]O)(OC)	124.4500	0.000	1	124.4500	0.000	1	124.4500	0.000	1	121.0063	18.538	3	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	3:3:2:	C[6]-4:C-3:O-1:	C[6]-4:C[6]-3:C-3:H-1:	C-3:C-3:O-2:	C(C[6]C[6]2H)(CCO)(O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCO)(H)	C(CC[6]H)(CC[6]O)(OC)	C(C[6]C[6]2H)(CCO)(O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCO)(H){1|C<4>,1|H<1>,2|O<2>}	C(CC[6]H)(CC[6]O)(OC)	116.1790	0.000	1	116.1790	0.000	1	116.1790	0.000	1	121.0063	18.538	3	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C-3:C-4:H-1:	C(C[6]C[5,6]C[6]H)(CCH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CCH)(H)	C(CC[6]H)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CCH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CCH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C(CC[6]H)(CCHH)(H)	124.9190	0.933	4	124.9190	0.871	4	124.9190	0.871	4	126.4845	2.459	17	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C-3:C-4:H-1:	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(CCH)(H)	C(CC[6]H)(CH3)(H)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(CCH)(H){2|C<4>,2|H<1>}	C(CC[6]H)(CH3)(H)	125.7405	0.344	2	125.7405	0.119	2	127.0985	2.448	10	126.4845	2.459	17	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C-3:C-4:H-1:	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCH)(H)	C(CC[6]H)(CCHN)(H)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCH)(H){1|C<3>,3|H<1>}	C(CC[6]H)(CCHN)(H)	126.3268	0.338	4	126.3268	0.114	4	127.0985	2.448	10	126.4845	2.459	17	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C-3:C-4:H-1:	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)(H)	C(CC[6]H)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(CC[6]H)(CCHH)(H)	129.5390	1.017	2	129.5390	1.034	2	127.0985	2.448	10	126.4845	2.459	17	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C-3:C-4:H-1:	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCH)(H)	C(CC[6]H)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCH)(H){2|C<4>,2|H<1>}	C(CC[6]H)(CCHH)(H)	128.5920	0.000	1	128.5920	0.000	1	127.0985	2.448	10	126.4845	2.459	17	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C-3:C-4:H-1:	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]O[6]HH)(C[6]C[6]C)(CCH)(H)	C(CC[6]H)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]O[6]HH)(C[6]C[6]C)(CCH)(H){1|C<4>,2|H<1>}	C(CC[6]H)(CCHH)(H)	126.5270	0.000	1	126.5270	0.000	1	127.0985	2.448	10	126.4845	2.459	17	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C-3:C-4:H-1:	C(C[6]C[6]N[6]H)(CCH)(H)	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCH)(H)	C(CC[6]H)(CH3)(H)	C(C[6]C[6]N[6]H)(CCH)(H)	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCH)(H){1|O<1>,1|O<2>,2|H<1>}	C(CC[6]H)(CH3)(H)	126.5490	0.000	1	126.5490	0.000	1	126.5250	0.558	3	126.4845	2.459	17	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C-3:C-4:H-1:	C(C[6]C[6]N[6]H)(CCH)(H)	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCH)(H)	C(CC[6]H)(CHHN)(H)	C(C[6]C[6]N[6]H)(CCH)(H)	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCH)(H){1|O<1>,1|O<2>,2|H<1>}	C(CC[6]H)(CHHN)(H)	125.7660	0.000	1	125.7660	0.000	1	126.5250	0.558	3	126.4845	2.459	17	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C-3:C-4:H-1:	C(C[6]C[6]N[6]H)(CCH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCH)(H)	C(CC[6]H)(CHHO)(H)	C(C[6]C[6]N[6]H)(CCH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCH)(H){1|C<4>,4|H<1>}	C(CC[6]H)(CHHO)(H)	127.2600	0.000	1	127.2600	0.000	1	126.5250	0.558	3	126.4845	2.459	17	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	3:4:3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C-3:C-4:C-3:	C(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCH)(H)	C(CC[6]H)(CCHH)(COO)	C(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCH)(H){1|C<3>,1|C<4>,2|H<1>}	C(CC[6]H)(CCHH)(COO)	125.8490	0.000	1	125.8490	0.000	1	125.8490	0.000	1	125.8490	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	3:4:4:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C-3:C-4:C-4:	C(C[6]C[5,6]C[6]H)(CCC)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CCH)(H)	C(CC[6]H)(CCHH)(CH3)	C(C[6]C[5,6]C[6]H)(CCC)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CCH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C(CC[6]H)(CCHH)(CH3)	126.2943	0.271	3	126.2943	0.074	3	125.8667	0.430	8	125.9871	1.454	12	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	3:4:4:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C-3:C-4:C-4:	C(C[6]C[5,6]C[6]H)(CCC)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(CCH)(H)	C(CC[6]H)(CCHH)(CH3)	C(C[6]C[5,6]C[6]H)(CCC)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(CCH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C(CC[6]H)(CCHH)(CH3)	125.4282	0.664	4	125.4282	0.441	4	125.8667	0.430	8	125.9871	1.454	12	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	3:4:4:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C-3:C-4:C-4:	C(C[6]C[5,6]C[6]H)(CCC)(H)	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]H)(CCH)(H)	C(CC[6]H)(CCHH)(CH3)	C(C[6]C[5,6]C[6]H)(CCC)(H)	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]H)(CCH)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C(CC[6]H)(CCHH)(CH3)	126.3380	0.000	1	126.3380	0.000	1	125.8667	0.430	8	125.9871	1.454	12	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	3:4:4:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-3:C-3:H-1:	C-3:C-4:C-4:	C(C[6]C[6,6]C[6]H)(CCC)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]C)(CCH)(H)	C(CC[6]H)(CCHO)(CH3)	C(C[6]C[6,6]C[6]H)(CCC)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]C)(CCH)(H){1|N<3>,4|C<4>,5|H<1>}	C(CC[6]H)(CCHO)(CH3)	128.7210	0.000	1	128.7210	0.000	1	128.7210	0.000	1	125.9871	1.454	12	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	3:4:4:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C-3:C-4:C-4:	C(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCH)(H)	C(CC[6]H)(CH3)2	C(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C(CC[6]H)(CH3)2	127.0640	0.000	1	127.0640	0.000	1	127.0640	0.000	1	125.9871	1.454	12	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	3:4:4:	C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C-3:C-4:C-4:	C(C[6]C[6]N[6]H)(CCC)(H)	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCH)(H)	C(CC[6]H)(CH3)2	C(C[6]C[6]N[6]H)(CCC)(H)	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCH)(H){1|O<1>,1|O<2>,2|H<1>}	C(CC[6]H)(CH3)2	124.5630	0.417	2	124.5630	0.174	2	124.5630	0.174	2	125.9871	1.454	12	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C[5]-4:C-3:H-1:	C(C[6]C[5,6]C[6]H)(CC[5]H)(H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]H)(CCH)(H)	C(C[5]C[5]O[5]H)(CC[6]H)(H)	C(C[6]C[5,6]C[6]H)(CC[5]H)(H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]H)(CCH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C(C[5]C[5]O[5]H)(CC[6]H)(H)	125.0210	0.000	1	125.0210	0.000	1	125.0210	0.000	1	125.8447	0.509	3	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-3:C-3:H-1:	C-4:C-3:H-1:	C(C[6]C[6,6]C[6]H)(CCH)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CCH)(H)	C(CC[6]ClH)(CC[6]H)(H)	C(C[6]C[6,6]C[6]H)(CCH)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CCH)(H){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	C(CC[6]ClH)(CC[6]H)(H)	126.2730	0.000	1	126.2730	0.000	1	126.2565	0.001	2	125.8447	0.509	3	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:1:	4:3:1:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-3:C-3:H-1:	C-4:C-3:H-1:	C(C[6]C[6,6]C[6]H)(CCH)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CCH)(H)	C(CC[6]HO)(CC[6]H)(H)	C(C[6]C[6,6]C[6]H)(CCH)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CCH)(H){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	C(CC[6]HO)(CC[6]H)(H)	126.2400	0.000	1	126.2400	0.000	1	126.2565	0.001	2	125.8447	0.509	3	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:2:	3:1:1:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-3:C-3:O-2:	C-3:H-1:H-1:	C(C[6]C[6,6]C[6]O)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CCH)(OH)	C(CC[6]H)(H)2	C(C[6]C[6,6]C[6]O)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CCH)(OH){3|C<4>,5|H<1>}	C(CC[6]H)(H)2	124.1660	0.000	1	124.1660	0.000	1	124.1660	0.000	1	124.1660	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:3:3:	3:3:1:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-3:C-3:C-3:	C-3:C-3:H-1:	C(C[6]C[6,6]C[6]C)(CCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O)(CCH)(COO)	C(CC[6]H)(COO)(H)	C(C[6]C[6,6]C[6]C)(CCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O)(CCH)(COO){3|C<4>,5|H<1>}	C(CC[6]H)(COO)(H)	128.1010	0.000	1	128.1010	0.000	1	128.1010	0.000	1	128.1010	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:4:3:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C-3:H-1:H-1:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3)(CCH)	C(CC[6]H)(H)2	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3)(CCH){1|H<1>,3|C<4>}	C(CC[6]H)(H)2	129.8210	0.000	1	129.8210	0.000	1	127.2473	3.123	11	127.2473	3.123	11	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:4:3:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C-3:H-1:H-1:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]O)(CH3)(CCH)	C(CC[6]H)(H)2	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]O)(CH3)(CCH){1|C<3>,1|C<4>,3|H<1>}	C(CC[6]H)(H)2	126.3870	0.000	1	126.3870	0.000	1	127.2473	3.123	11	127.2473	3.123	11	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:4:3:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C-3:H-1:H-1:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6]ClH)(C[6]C[4,6]O)(CH3)(CCH)	C(CC[6]H)(H)2	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6]ClH)(C[6]C[4,6]O)(CH3)(CCH){2|C<4>,3|H<1>}	C(CC[6]H)(H)2	126.7820	1.469	2	126.7820	2.159	2	127.2473	3.123	11	127.2473	3.123	11	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:4:3:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C-3:H-1:H-1:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6]ClH)(C[6]C[5,6]N)(CH3)(CCH)	C(CC[6]H)(H)2	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6]ClH)(C[6]C[5,6]N)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C(CC[6]H)(H)2	129.5230	0.000	1	129.5230	0.000	1	127.2473	3.123	11	127.2473	3.123	11	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:4:3:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C-3:H-1:H-1:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6]ClH)(C[6]C[6,6]O)(CH3)(CCH)	C(CC[6]H)(H)2	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6]ClH)(C[6]C[6,6]O)(CH3)(CCH){2|C<4>,3|H<1>}	C(CC[6]H)(H)2	124.3130	0.000	1	124.3130	0.000	1	127.2473	3.123	11	127.2473	3.123	11	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:4:3:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C-3:H-1:H-1:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]O)(CH3)(CCH)	C(CC[6]H)(H)2	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]O)(CH3)(CCH){1|C<3>,1|C<4>,3|H<1>}	C(CC[6]H)(H)2	129.5920	0.000	1	129.5920	0.000	1	127.2473	3.123	11	127.2473	3.123	11	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:4:3:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C-3:H-1:H-1:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(CCH)	C(CC[6]H)(H)2	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C(CC[6]H)(H)2	126.3270	0.000	1	126.3270	0.000	1	127.2473	3.123	11	127.2473	3.123	11	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:4:3:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C-3:H-1:H-1:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[5,6]O)(CH3)(CCH)	C(CC[6]H)(H)2	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[5,6]O)(CH3)(CCH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(CC[6]H)(H)2	127.2050	0.000	1	127.2050	0.000	1	127.2473	3.123	11	127.2473	3.123	11	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:4:3:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C-3:H-1:H-1:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]O)(CH3)(CCH)	C(CC[6]H)(H)2	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]O)(CH3)(CCH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(CC[6]H)(H)2	126.4380	0.000	1	126.4380	0.000	1	127.2473	3.123	11	127.2473	3.123	11	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:4:3:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C-3:H-1:H-1:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]Cl)(CH3)(CCH)	C(CC[6]H)(H)2	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]Cl)(CH3)(CCH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(CC[6]H)(H)2	126.5500	0.000	1	126.5500	0.000	1	127.2473	3.123	11	127.2473	3.123	11	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:4:3:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C-3:C-3:H-1:	C(C[6]C[6]2C)(CCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3)(CCH)	C(CC[6]H)(CCC)(H)	C(C[6]C[6]2C)(CCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C(CC[6]H)(CCC)(H)	118.3220	0.000	1	118.3220	0.000	1	123.9447	23.715	3	121.1458	18.977	6	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:4:3:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C-3:C-3:H-1:	C(C[6]C[6]2C)(CCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(CCH)	C(CC[6]H)(COO)(H)	C(C[6]C[6]2C)(CCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(CCH){1|C<3>,2|C<4>,2|H<1>}	C(CC[6]H)(COO)(H)	126.7560	0.096	2	126.7560	0.009	2	123.9447	23.715	3	121.1458	18.977	6	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:4:3:	3:3:1:	C[6]-4:C-3:O-1:	C[6]-4:C[6]-3:C-4:C-3:	C-3:C-3:H-1:	C(C[6]C[6]2C)(CCH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(CH3)(CCO)	C(CC[5,6]C)(CC[6]O)(H)	C(C[6]C[6]2C)(CCH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(CH3)(CCO){2|C<3>,2|C<4>}	C(CC[5,6]C)(CC[6]O)(H)	118.3470	0.476	3	118.3470	0.227	3	118.3470	0.227	3	121.1458	18.977	6	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:4:3:	3:4:3:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-3:C-4:C-3:	C-3:C-4:C-3:	C(C[6]C[5,6]C[6]C)(CCC)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CH3)(CCH)	C(CC[6]H)(CH3)(CCH)	C(C[6]C[5,6]C[6]C)(CCC)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CH3)(CCH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C(CC[6]H)(CH3)(CCH)	132.2937	0.149	3	132.5585	0.295	4	132.5585	0.295	4	132.4694	0.261	5	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:4:3:	3:4:3:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-3:C-4:C-3:	C-3:C-4:C-3:	C(C[6]C[5,6]C[6]C)(CCC)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CH3)(CCH)	C(CC[6]H)(CH3)(CCH)	C(C[6]C[5,6]C[6]C)(CCC)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CH3)(CCH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(CC[6]H)(CH3)(CCH)	133.3530	0.000	1	132.5585	0.295	4	132.5585	0.295	4	132.4694	0.261	5	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:4:3:	3:4:3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C-3:C-4:C-3:	C(C[6]C[6]2C)(CCC)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)(CCH)	C(CC[6]H)(CH3)(CCH)	C(C[6]C[6]2C)(CCC)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)(CCH){2|C<4>,3|C<3>}	C(CC[6]H)(CH3)(CCH)	132.1130	0.000	1	132.1130	0.000	1	132.1130	0.000	1	132.4694	0.261	5	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:4:3:	3:4:4:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C-3:C-4:C-4:	C(C[6]C[6]2C)(CCC)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(CH3)(CCH)	C(CC[6]H)(CHHO)(CH3)	C(C[6]C[6]2C)(CCC)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(CH3)(CCH){2|C<4>,2|H<1>}	C(CC[6]H)(CHHO)(CH3)	133.3550	0.000	1	133.3550	0.000	1	133.3550	0.000	1	133.3550	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:3:4:3:	4:3:1:	C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:C-4:C-3:	S-4:C-3:H-1:	C(C[6]C[6]N[6]C)(CHS)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(CCH)	C(SC[6a]OO)(CC[6]H)(H)	C(C[6]C[6]N[6]C)(CHS)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(CCH){1|C<4>,1|O<1>,2|H<1>}	C(SC[6a]OO)(CC[6]H)(H)	126.9470	0.000	1	126.9470	0.000	1	126.9470	0.000	1	126.9470	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	2:3:4:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	Se-2:C-3:C-4:	C(C[6]C[6]2H)(CSeC)(H)	C[6](C[6]C[6]HH)2(CCH)(H)	C(SeC[6a])(CC[6]H)(CHHP)	C(C[6]C[6]2H)(CSeC)(H)	C[6](C[6]C[6]HH)2(CCH)(H){1|C<4>,4|H<1>}	C(SeC[6a])(CC[6]H)(CHHP)	129.1910	0.000	1	129.1910	0.000	1	129.1910	0.000	1	129.1910	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[3,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[3,6]C[6]H)(CHH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[3,6]C[6]H)(CHH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCH)(H){1|O<2>,2|H<1>,6|C<4>}	C(CC[6]H)(H)2	124.2140	0.000	1	124.2140	0.000	1	124.2175	0.000	2	125.5099	3.462	59	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[3,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[3,6]C[6]H)(CHH)(H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[5]C[6]O)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[3,6]C[6]H)(CHH)(H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[5]C[6]O)(CCH)(H){1|O<2>,3|H<1>,6|C<4>}	C(CC[6]H)(H)2	124.2210	0.000	1	124.2210	0.000	1	124.2175	0.000	2	125.5099	3.462	59	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[3x6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[3x6]C[6]H)(CHH)(H)	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]HH)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[3x6]C[6]H)(CHH)(H)	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]HH)(CCH)(H){1|B<4>,1|C<3>,2|C<4>,7|H<1>}	C(CC[6]H)(H)2	124.8950	0.000	1	124.8950	0.000	1	124.8950	0.000	1	125.5099	3.462	59	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C-3:Cl-1:Cl-1:	C(C[6]C[5,6]C[6]H)(CCl2)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CCH)(H)	C(CC[6]H)(Cl)2	C(C[6]C[5,6]C[6]H)(CCl2)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CCH)(H){1|C<3>,2|C<4>,3|H<1>}	C(CC[6]H)(Cl)2	126.2930	0.000	1	126.2930	0.000	1	126.2930	0.000	1	125.5099	3.462	59	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[5,6]C[6]H)(CHH)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[5,6]C[6]H)(CHH)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(CCH)(H){1|C<3>,3|C<4>,3|H<1>}	C(CC[6]H)(H)2	128.1620	0.000	1	128.1620	0.000	1	125.9279	2.946	10	125.5099	3.462	59	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[5,6]C[6]H)(CHH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]C[6]O)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[5,6]C[6]H)(CHH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]C[6]O)(CCH)(H){1|N<2>,1|N<3>,2|H<1>,6|C<4>}	C(CC[6]H)(H)2	124.6148	0.352	4	124.6148	0.124	4	125.9279	2.946	10	125.5099	3.462	59	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[5,6]C[6]H)(CHH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[5,6]C[6]H)(CHH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH)(H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C(CC[6]H)(H)2	124.1940	0.000	1	124.7775	0.681	2	125.9279	2.946	10	125.5099	3.462	59	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[5,6]C[6]H)(CHH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[5,6]C[6]H)(CHH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH)(H){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(CC[6]H)(H)2	125.3610	0.000	1	124.7775	0.681	2	125.9279	2.946	10	125.5099	3.462	59	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[5,6]C[6]H)(CHH)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[5,6]C[6]H)(CHH)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(CCH)(H){1|N<4>,2|C<3>,2|C<4>,5|H<1>}	C(CC[6]H)(H)2	128.4340	0.000	1	128.4340	0.000	1	125.9279	2.946	10	125.5099	3.462	59	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[5,6]C[6]H)(CHH)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[5,6]C[6]H)(CHH)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CCH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C(CC[6]H)(H)2	126.7470	0.000	1	126.7470	0.000	1	125.9279	2.946	10	125.5099	3.462	59	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[5,6]C[6]H)(CHH)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]N[6]HH)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[5,6]C[6]H)(CHH)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]N[6]HH)(CCH)(H){2|C<3>,2|C<4>,3|H<1>}	C(CC[6]H)(H)2	127.9220	0.000	1	127.9220	0.000	1	125.9279	2.946	10	125.5099	3.462	59	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[5,3x6]P[6]H)(C[6]P[5,5,6]CH)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[5,3x6]P[6]H)(C[6]P[5,5,6]CH)(CCH)(H){1|O<2>,2|C<3>,2|W<6>,3|C<4>}	C(CC[6]H)(H)2	128.9180	0.000	1	128.9180	0.000	1	126.4152	4.771	20	125.5099	3.462	59	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCH)(H){3|C<4>,5|H<1>}	C(CC[6]H)(H)2	125.2057	0.720	3	125.2057	0.519	3	126.4152	4.771	20	125.5099	3.462	59	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C(CC[6]H)(H)2	122.8420	0.000	1	123.5955	1.136	2	126.4152	4.771	20	125.5099	3.462	59	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCH)(H){1|C<4>,2|C<3>,5|H<1>}	C(CC[6]H)(H)2	124.3490	0.000	1	123.5955	1.136	2	126.4152	4.771	20	125.5099	3.462	59	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCH)(H){1|O<1>,2|H<1>,4|C<4>}	C(CC[6]H)(H)2	125.0755	0.285	2	125.0755	0.081	2	126.4152	4.771	20	125.5099	3.462	59	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CCH)(H){3|C<4>,5|H<1>}	C(CC[6]H)(H)2	129.3080	0.000	1	129.3080	0.000	1	126.4152	4.771	20	125.5099	3.462	59	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCH)(H){2|C<4>,2|H<1>,2|O<1>}	C(CC[6]H)(H)2	129.1265	4.702	2	127.5703	18.317	3	126.4152	4.771	20	125.5099	3.462	59	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCH)(H){4|C<4>,4|H<1>}	C(CC[6]H)(H)2	124.4580	0.000	1	127.5703	18.317	3	126.4152	4.771	20	125.5099	3.462	59	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCH)(H){1|O<1>,1|S<4>,2|C<4>,2|H<1>}	C(CC[6]H)(H)2	127.9990	0.000	1	127.9990	0.000	1	126.4152	4.771	20	125.5099	3.462	59	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(CCH)(H){1|C<4>,2|C<3>,2|H<1>}	C(CC[6]H)(H)2	127.9870	0.000	1	127.9870	0.000	1	126.4152	4.771	20	125.5099	3.462	59	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6,6a]2C[6])(C[6]O[6]HH)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6,6a]2C[6])(C[6]O[6]HH)(CCH)(H){1|O<1>,5|C<3>}	C(CC[6]H)(H)2	127.2810	0.000	1	127.2810	0.000	1	126.4152	4.771	20	125.5099	3.462	59	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CCH)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C(CC[6]H)(H)2	126.8370	0.000	1	126.8370	0.000	1	126.4152	4.771	20	125.5099	3.462	59	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]HO)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]HO)(CCH)(H){1|O<2>,3|C<4>,7|H<1>}	C(CC[6]H)(H)2	124.6390	0.000	1	124.6390	0.000	1	126.4152	4.771	20	125.5099	3.462	59	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6]3)(C[6]N[6]HH)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6]3)(C[6]N[6]HH)(CCH)(H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C(CC[6]H)(H)2	126.4200	0.126	2	126.4200	0.016	2	126.4152	4.771	20	125.5099	3.462	59	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(CCH)(H){1|C<4>,2|C<3>,3|H<1>}	C(CC[6]H)(H)2	126.8260	0.000	1	126.8260	0.000	1	126.4152	4.771	20	125.5099	3.462	59	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CCH)(H){2|H<1>,3|C<4>}	C(CC[6]H)(H)2	124.1290	0.000	1	124.1290	0.000	1	124.7152	1.891	25	125.5099	3.462	59	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[5]C[6]O)(C[6]C[6]CH)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[5]C[6]O)(C[6]C[6]CH)(CCH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(CC[6]H)(H)2	125.4600	0.000	1	125.1640	0.581	3	124.7152	1.891	25	125.5099	3.462	59	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[5]C[6]O)(C[6]C[6]CH)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[5]C[6]O)(C[6]C[6]CH)(CCH)(H){1|O<1>,2|H<1>,4|C<4>}	C(CC[6]H)(H)2	125.0160	1.015	2	125.1640	0.581	3	124.7152	1.891	25	125.5099	3.462	59	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CCH)(H){1|O<1>,2|H<1>,4|C<4>}	C(CC[6]H)(H)2	123.4810	0.000	1	123.4810	0.000	1	124.7152	1.891	25	125.5099	3.462	59	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(CCH)(H){1|C<3>,1|H<1>,2|C<4>}	C(CC[6]H)(H)2	127.7980	0.000	1	127.7980	0.000	1	124.7152	1.891	25	125.5099	3.462	59	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(CCH)(H){1|H<1>,2|C<3>}	C(CC[6]H)(H)2	124.6080	0.000	1	124.6080	0.000	1	124.7152	1.891	25	125.5099	3.462	59	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CCH)(H){2|C<3>}	C(CC[6]H)(H)2	124.7460	1.399	2	124.7460	1.956	2	124.7152	1.891	25	125.5099	3.462	59	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CC)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CC)(CCH)(H){1|H<1>,1|O<2>,2|C<3>}	C(CC[6]H)(H)2	124.5557	0.244	3	124.5557	0.060	3	124.7152	1.891	25	125.5099	3.462	59	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(CCH)(H){1|C<4>,1|O<2>,3|H<1>}	C(CC[6]H)(H)2	124.9760	0.000	1	124.9760	0.000	1	124.7152	1.891	25	125.5099	3.462	59	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H){2|H<1>,3|C<4>}	C(CC[6]H)(H)2	125.8030	0.000	1	125.8030	0.000	1	124.7152	1.891	25	125.5099	3.462	59	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCH)(H){1|C<4>,1|O<2>,3|H<1>}	C(CC[6]H)(H)2	125.3880	0.000	1	125.3880	0.000	1	124.7152	1.891	25	125.5099	3.462	59	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCH)(H){1|C<3>,1|H<1>,1|O<2>}	C(CC[6]H)(H)2	127.3450	0.000	1	127.3450	0.000	1	124.7152	1.891	25	125.5099	3.462	59	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]HO)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]HO)(CCH)(H){2|C<3>}	C(CC[6]H)(H)2	122.4727	1.191	3	122.4727	1.419	3	124.7152	1.891	25	125.5099	3.462	59	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6]CH)2(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6]CH)2(CCH)(H){1|C<3>,1|H<1>,1|O<1>}	C(CC[6]H)(H)2	125.0250	0.000	1	125.0250	0.000	1	124.7152	1.891	25	125.5099	3.462	59	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCH)(H){1|C<4>,1|S<4>,2|H<1>}	C(CC[6]H)(H)2	125.1250	0.839	2	125.1250	0.703	2	124.7152	1.891	25	125.5099	3.462	59	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CCH)(H){1|C<4>,2|H<1>}	C(CC[6]H)(H)2	125.4130	0.000	1	125.4130	0.000	1	124.7152	1.891	25	125.5099	3.462	59	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HO)(CCH)(H)	C(CC[6]H)(H)2	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HO)(CCH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(CC[6]H)(H)2	123.7975	0.474	2	123.7975	0.225	2	124.7152	1.891	25	125.5099	3.462	59	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:2:1:	C[6]-4:C-3:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:O-2:O-1:	C(C[6]C[6]2H)(COO)(O)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)(CCO)(H)	C(CC[6]O)(OC)(O)	C(C[6]C[6]2H)(COO)(O)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)(CCO)(H){2|H<1>,6|C<3>}	C(CC[6]O)(OC)(O)	114.6830	0.000	1	114.6830	0.000	1	114.5455	0.038	2	114.5455	0.038	2	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:2:1:	C[6]-4:C-3:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:O-2:O-1:	C(C[6]C[6]2H)(COO)(O)	C[6](C[6]C[6a]C[6]H)2(CCO)(H)	C(CC[6]O)(OC)(O)	C(C[6]C[6]2H)(COO)(O)	C[6](C[6]C[6a]C[6]H)2(CCO)(H){3|H<1>,5|C<3>}	C(CC[6]O)(OC)(O)	114.4080	0.000	1	114.4080	0.000	1	114.5455	0.038	2	114.5455	0.038	2	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:Cl-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[6]C[6]2H)(CCH)(Cl)	C[6](C[6]C[6]HH)2(CClC)(H)	C(CC[6]Cl)(CCO)(H)	C(C[6]C[6]2H)(CCH)(Cl)	C[6](C[6]C[6]HH)2(CClC)(H){1|C<4>,4|H<1>}	C(CC[6]Cl)(CCO)(H)	126.8940	0.000	1	126.8940	0.000	1	126.8940	0.000	1	125.8829	15.016	51	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:F-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[6]C[6]2H)(CC[6a]H)(F)	C[6](C[6]C[6]HH)2(CCF)(H)	C(C[6a]C[6a]2)(CC[6]F)(H)	C(C[6]C[6]2H)(CC[6a]H)(F)	C[6](C[6]C[6]HH)2(CCF)(H){1|C<4>,1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(CC[6]F)(H)	133.4980	0.854	4	133.4980	0.730	4	133.4980	0.730	4	125.8829	15.016	51	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[5,6,6]-4:C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[6]C[5,6,6]C[6]H)(CCH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]O[6]CC)(CCH)(H)	C(CC[6]H)(CCO)(H)	C(C[6]C[5,6,6]C[6]H)(CCH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]O[6]CC)(CCH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(CC[6]H)(CCO)(H)	124.2900	0.000	1	124.2900	0.000	1	124.2900	0.000	1	125.8829	15.016	51	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[6]C[5,6]C[6]H)(CCH)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CCH)(H)	C(CC[6]H)(COO)(H)	C(C[6]C[5,6]C[6]H)(CCH)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CCH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C(CC[6]H)(COO)(H)	124.8965	1.606	2	124.8965	2.579	2	124.8965	2.579	2	125.8829	15.016	51	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[6]C[5,6]C[6]H)(CC[6a]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCH)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[5,6]C[6]H)(CC[6a]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6a]C[6a]2)(CC[6]H)(H)	125.8905	0.869	2	125.8905	0.755	2	125.8905	0.755	2	125.8829	15.016	51	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[6]C[6,6]C[6]H)(CCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3]C[6]O)(CCH)(H)	C(CC[6]H)(CCH)(H)	C(C[6]C[6,6]C[6]H)(CCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3]C[6]O)(CCH)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C(CC[6]H)(CCH)(H)	123.9310	1.006	3	123.9310	1.012	3	124.9690	4.984	4	125.8829	15.016	51	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[6]C[6,6]C[6]H)(CCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CCH)(H)	C(CC[6]H)(CNO)(H)	C(C[6]C[6,6]C[6]H)(CCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CCH)(H){2|C<4>,3|C<3>,4|H<1>}	C(CC[6]H)(CNO)(H)	128.0830	0.000	1	128.0830	0.000	1	124.9690	4.984	4	125.8829	15.016	51	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	N[5]-3:C-3:H-1:	C(C[6]C[6,6]C[6]H)(CN[5]H)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CCH)(H)	C(N[5]C[5]2)(CC[6]H)(H)	C(C[6]C[6,6]C[6]H)(CN[5]H)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CCH)(H){1|N<2>,1|O<1>,2|C<4>,6|H<1>}	C(N[5]C[5]2)(CC[6]H)(H)	123.9480	0.000	1	123.9480	0.000	1	123.9480	0.000	1	125.8829	15.016	51	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCH)(H)	C(CC[6]H)(COO)(H)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCH)(H){1|C<4>,2|C<3>,2|H<1>}	C(CC[6]H)(COO)(H)	125.4340	0.000	1	125.4340	0.000	1	127.3934	3.559	12	125.8829	15.016	51	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H)	C(CC[6]H)(CCH)(H)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H){2|C<4>,3|H<1>}	C(CC[6]H)(CCH)(H)	128.0810	0.000	1	128.0810	0.000	1	127.3934	3.559	12	125.8829	15.016	51	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]HH)2(CCH)(H)	C(CC[6]H)(CCC)(H)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]HH)2(CCH)(H){1|C<4>,4|H<1>}	C(CC[6]H)(CCC)(H)	124.1965	0.255	2	124.1965	0.065	2	127.3934	3.559	12	125.8829	15.016	51	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]HH)2(CCH)(H)	C(CC[6]H)(CCH)(H)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]HH)2(CCH)(H){1|C<4>,4|H<1>}	C(CC[6]H)(CCH)(H)	127.3880	0.584	2	127.3880	0.341	2	127.3934	3.559	12	125.8829	15.016	51	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(CCH)(H)	C(CC[6]H)(CCH)(H)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(CCH)(H){1|C<3>,1|C<4>,2|H<1>}	C(CC[6]H)(CCH)(H)	128.5550	0.000	1	128.5550	0.000	1	127.3934	3.559	12	125.8829	15.016	51	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]HO)2(CCH)(H)	C(CC[6]H)(CCH)(H)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]HO)2(CCH)(H){1|H<1>,3|C<3>}	C(CC[6]H)(CCH)(H)	130.0720	0.000	1	130.0720	0.000	1	127.3934	3.559	12	125.8829	15.016	51	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCH)(H)	C(CC[6]H)(CCH)(H)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCH)(H){1|C<4>,1|H<1>,4|C<3>}	C(CC[6]H)(CCH)(H)	129.2780	0.000	1	128.2670	0.851	3	127.3934	3.559	12	125.8829	15.016	51	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCH)(H)	C(CC[6]H)(CCH)(H)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCH)(H){1|C<4>,2|H<1>,3|C<3>}	C(CC[6]H)(CCH)(H)	127.7615	0.411	2	128.2670	0.851	3	127.3934	3.559	12	125.8829	15.016	51	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HO)(CCH)(H)	C(CC[6]H)(CCH)(H)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HO)(CCH)(H){1|C<4>,2|H<1>,3|C<3>}	C(CC[6]H)(CCH)(H)	128.6090	0.000	1	128.6090	0.000	1	127.3934	3.559	12	125.8829	15.016	51	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[5a]-3:C-3:H-1:	C(C[6]C[6]2H)(CC[5a]H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(CCH)(H)	C(C[5a]C[5a]N[5a])(CC[6]H)(H)	C(C[6]C[6]2H)(CC[5a]H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(CCH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C(C[5a]C[5a]N[5a])(CC[6]H)(H)	132.1690	0.000	2	132.1690	0.000	2	132.1690	0.000	2	125.8829	15.016	51	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[6]C[6]2H)(CC[6a]H)(H)	C[6](C[6]C[5,6]HH)2(CCH)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6]2H)(CC[6a]H)(H)	C[6](C[6]C[5,6]HH)2(CCH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6a]C[6a]2)(CC[6]H)(H)	125.2780	0.000	1	125.2780	0.000	1	125.1955	3.284	14	125.8829	15.016	51	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[6]C[6]2H)(CC[6a]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCH)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6]2H)(CC[6a]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(C[6a]C[6a]2)(CC[6]H)(H)	123.5890	0.000	1	123.5890	0.000	1	125.1955	3.284	14	125.8829	15.016	51	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[6]C[6]2H)(CC[6a]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCH)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6]2H)(CC[6a]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(CC[6]H)(H)	125.9060	0.781	2	125.9060	0.609	2	125.1955	3.284	14	125.8829	15.016	51	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[6]C[6]2H)(CC[6a]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6]2H)(CC[6a]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(CC[6]H)(H)	125.4430	1.583	2	125.4430	2.504	2	125.1955	3.284	14	125.8829	15.016	51	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[6]C[6]2H)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCH)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6]2H)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(CC[6]H)(H)	125.3757	3.423	4	125.3757	11.718	4	125.1955	3.284	14	125.8829	15.016	51	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[6]C[6]2H)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCH)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6]2H)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCH)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(CC[6]H)(H)	124.9750	0.000	1	124.9750	0.000	1	125.1955	3.284	14	125.8829	15.016	51	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[6]C[6]2H)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCH)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6]2H)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCH)(H){1|Cl<1>,1|C<4>,1|H<1>,1|S<4>}	C(C[6a]C[6a]2)(CC[6]H)(H)	124.6030	0.000	1	124.6030	0.000	1	125.1955	3.284	14	125.8829	15.016	51	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[6]C[6]2H)(CC[6a]H)(H)	C[6](C[6]C[6]HH)2(CCH)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6]2H)(CC[6a]H)(H)	C[6](C[6]C[6]HH)2(CCH)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(CC[6]H)(H)	125.0455	0.356	2	125.0455	0.127	2	125.1955	3.284	14	125.8829	15.016	51	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:N[6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[6]C[6]N[6]H)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CCH)(H)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6]N[6]H)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CCH)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(CC[6]H)(H)	121.7665	0.291	2	121.7665	0.084	2	121.7665	0.084	2	125.8829	15.016	51	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[6]C[6]2H)(CCH)(O)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(CCO)(H)	C(CC[6a]H)(CC[6]O)(H)	C(C[6]C[6]2H)(CCH)(O)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(CCO)(H){1|C<4>,2|H<1>,5|C<3>}	C(CC[6a]H)(CC[6]O)(H)	122.5660	0.000	1	122.5660	0.000	1	120.0210	10.150	6	125.8829	15.016	51	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[6]C[6]2H)(CCH)(O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO)(H)	C(CC[5]H)(CC[6]O)(H)	C(C[6]C[6]2H)(CCH)(O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(CC[5]H)(CC[6]O)(H)	124.3830	0.000	1	124.3830	0.000	1	120.0210	10.150	6	125.8829	15.016	51	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[6]C[6]2H)(CCH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCO)(H)	C(CC[6a]H)(CC[6]O)(H)	C(C[6]C[6]2H)(CCH)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCO)(H){1|C<3>,1|C<4>,3|H<1>}	C(CC[6a]H)(CC[6]O)(H)	118.2943	2.107	4	118.2943	4.440	4	120.0210	10.150	6	125.8829	15.016	51	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:3:3:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6,6]C[6]H)(CC[6a]2)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCH)(H)	C(C[6a]C[6a]2)2(CC[6]H)	C(C[6]C[6,6]C[6]H)(CC[6a]2)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCH)(H){1|C<3>,3|C<4>,4|H<1>}	C(C[6a]C[6a]2)2(CC[6]H)	127.0110	0.000	1	127.0110	0.000	1	127.0110	0.000	1	125.5067	11.233	6	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:3:3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:N-3:N-3:	C(C[6]C[6]2H)(CNN)(H)	C[6](C[6]C[6]HH)2(CCH)(H)	C(CC[6]H)(NCN)(NOO)	C(C[6]C[6]2H)(CNN)(H)	C[6](C[6]C[6]HH)2(CCH)(H){1|C<4>,4|H<1>}	C(CC[6]H)(NCN)(NOO)	125.1940	0.000	1	125.1940	0.000	1	125.1940	0.000	1	125.5067	11.233	6	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:3:3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C-3:N-3:	C(C[6]C[6]2H)(CC[6a]N)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(H)	C(C[6a]C[6a]2)(CC[6]H)(NHS)	C(C[6]C[6]2H)(CC[6a]N)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(H){1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(CC[6]H)(NHS)	124.4130	0.000	1	124.4130	0.000	1	126.0415	5.304	2	125.5067	11.233	6	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:3:3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C-3:N-3:	C(C[6]C[6]2H)(CC[6a]N)(H)	C[6](C[6]C[6]HH)2(CCH)(H)	C(C[6a]C[6a]2)(CC[6]H)(NCC)	C(C[6]C[6]2H)(CC[6a]N)(H)	C[6](C[6]C[6]HH)2(CCH)(H){1|N<3>,4|H<1>}	C(C[6a]C[6a]2)(CC[6]H)(NCC)	127.6700	0.000	1	127.6700	0.000	1	126.0415	5.304	2	125.5067	11.233	6	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:3:3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6]2H)(CC[6a]2)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCH)(H)	C(C[6a]C[6a]2)2(CC[6]H)	C(C[6]C[6]2H)(CC[6a]2)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCH)(H){2|C<4>,3|H<1>}	C(C[6a]C[6a]2)2(CC[6]H)	129.1390	0.000	1	129.1390	0.000	1	129.1390	0.000	1	125.5067	11.233	6	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:3:3:	C[6]-4:C-3:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C[5]-3:C[6a]-3:C-3:	C(C[6]C[6]2H)(CC[6a]C[5])(O)	C[6](C[6]C[6]HH)2(CCO)(H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6]O)	C(C[6]C[6]2H)(CC[6a]C[5])(O)	C[6](C[6]C[6]HH)2(CCO)(H){1|C<4>,4|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6]O)	119.6130	0.000	1	119.6130	0.000	1	119.6130	0.000	1	125.5067	11.233	6	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:3:4:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:C-3:C-4:	C(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(CCH)(H)	C(CC[5]O)(CC[6]H)(CH3)	C(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(CCH)(H){1|C<4>,2|H<1>,3|C<3>}	C(CC[5]O)(CC[6]H)(CH3)	124.7152	0.610	4	124.7152	0.372	4	125.0020	3.305	6	123.6610	15.342	7	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:3:4:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:C-3:C-4:	C(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(CCH)(H)	C(CC[6]H)(CC[6]O)(CH3)	C(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(CCH)(H){2|C<3>,2|C<4>,2|H<1>}	C(CC[6]H)(CC[6]O)(CH3)	122.8900	0.000	1	122.8900	0.000	1	125.0020	3.305	6	123.6610	15.342	7	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:3:4:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:C-3:C-4:	C(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[6]HH)2(CCH)(H)	C(CC[6a]O)(CC[6]H)(CH3)	C(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[6]HH)2(CCH)(H){1|C<4>,4|H<1>}	C(CC[6a]O)(CC[6]H)(CH3)	128.2610	0.000	1	128.2610	0.000	1	125.0020	3.305	6	123.6610	15.342	7	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:3:4:	C[6]-4:C-3:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:C-3:C-4:	C(C[6]C[6]2H)(CCC)(O)	C[6](C[6]C[6]HH)2(CCO)(H)	C(CC[5a]H)(CC[6]O)(CCHH)	C(C[6]C[6]2H)(CCC)(O)	C[6](C[6]C[6]HH)2(CCO)(H){1|C<3>,1|C<4>,3|H<1>}	C(CC[5a]H)(CC[6]O)(CCHH)	115.6150	0.000	1	115.6150	0.000	1	115.6150	0.000	1	123.6610	15.342	7	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[3,6]-4:C[5,6]-4:C-3:H-1:	C-3:C-4:H-1:	C(C[6]C[3,6]C[5,6]H)(CCH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]C)(CCH)(H)	C(CC[6]H)(CCHH)(H)	C(C[6]C[3,6]C[5,6]H)(CCH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]C)(CCH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C(CC[6]H)(CCHH)(H)	123.5323	0.288	4	123.5323	0.083	4	123.5323	0.083	4	125.7105	8.042	13	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C-3:C-4:H-1:	C(C[6]C[5,6]C[6]H)(CCH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(CCH)(H)	C(CC[6]H)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CCH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(CCH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C(CC[6]H)(CCHH)(H)	123.9870	0.000	1	123.9870	0.000	1	125.6917	20.404	3	125.7105	8.042	13	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C-3:C-4:H-1:	C(C[6]C[5,6]C[6]H)(CCH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(CCH)(H)	C(CC[6]H)(CCCO)(H)	C(C[6]C[5,6]C[6]H)(CCH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(CCH)(H){1|C<3>,3|C<4>,4|H<1>}	C(CC[6]H)(CCCO)(H)	130.8130	0.000	1	130.8130	0.000	1	125.6917	20.404	3	125.7105	8.042	13	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C-3:C-4:H-1:	C(C[6]C[5,6]C[6]H)(CCH)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(CCH)(H)	C(CC[6]H)(CCHH)(H)	C(C[6]C[5,6]C[6]H)(CCH)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(CCH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C(CC[6]H)(CCHH)(H)	122.2750	0.000	1	122.2750	0.000	1	125.6917	20.404	3	125.7105	8.042	13	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:C-4:H-1:	C(C[6]C[6,6]C[6]H)(CCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(CCH)(H)	C(CC[6]H)(CCHH)(H)	C(C[6]C[6,6]C[6]H)(CCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(CCH)(H){1|H<1>,2|C<3>,2|C<4>}	C(CC[6]H)(CCHH)(H)	126.9330	0.000	1	126.9330	0.000	1	126.9330	0.000	1	125.7105	8.042	13	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:C-4:H-1:	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(H)	C(CC[6]H)(CCHO)(H)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(H){1|C<4>,4|H<1>}	C(CC[6]H)(CCHO)(H)	125.8250	0.000	1	125.8250	0.000	1	127.2200	5.895	5	125.7105	8.042	13	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:C-4:H-1:	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H)	C(CC[6]H)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H){1|C<4>,2|C<3>,2|H<1>}	C(CC[6]H)(CCHH)(H)	130.2240	0.000	1	129.4050	1.342	2	127.2200	5.895	5	125.7105	8.042	13	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:C-4:H-1:	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H)	C(CC[6]H)(CCHH)(H)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H){1|C<4>,4|H<1>}	C(CC[6]H)(CCHH)(H)	128.5860	0.000	1	129.4050	1.342	2	127.2200	5.895	5	125.7105	8.042	13	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:C-4:H-1:	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]HH)2(CCH)(H)	C(CC[6]H)(CCCH)(H)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]HH)2(CCH)(H){1|C<4>,4|H<1>}	C(CC[6]H)(CCCH)(H)	123.9550	0.000	1	123.9550	0.000	1	127.2200	5.895	5	125.7105	8.042	13	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:C-4:H-1:	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]HH)2(CCH)(H)	C(CC[6]H)(CH3)(H)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]HH)2(CCH)(H){1|C<4>,4|H<1>}	C(CC[6]H)(CH3)(H)	127.5100	0.000	1	127.5100	0.000	1	127.2200	5.895	5	125.7105	8.042	13	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:4:3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:C-4:C-3:	C(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[6]CH)2(CCH)(H)	C(CC[6]H)(CCHH)(COO)	C(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[6]CH)2(CCH)(H){1|C<3>,1|C<4>,2|H<1>}	C(CC[6]H)(CCHH)(COO)	126.0410	0.000	1	126.0410	0.000	1	127.3247	0.971	6	126.5479	5.033	7	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:4:3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:C-4:C-3:	C(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[6]CH)2(CCH)(H)	C(CC[6]H)(CHHO)(COO)	C(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[6]CH)2(CCH)(H){1|O<2>,2|C<4>,2|H<1>}	C(CC[6]H)(CHHO)(COO)	127.9140	0.000	1	127.9140	0.000	1	127.3247	0.971	6	126.5479	5.033	7	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:4:3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:C-4:C-3:	C(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[6]HH)2(CCH)(H)	C(CC[6]H)(CCHH)(COO)	C(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[6]HH)2(CCH)(H){1|C<4>,4|H<1>}	C(CC[6]H)(CCHH)(COO)	127.1937	0.901	3	127.1937	0.812	3	127.3247	0.971	6	126.5479	5.033	7	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:4:3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:C-4:C-3:	C(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[6]HH)2(CCH)(H)	C(CC[6]H)(CSiCH)(CCH)	C(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[6]HH)2(CCH)(H){1|C<4>,4|H<1>}	C(CC[6]H)(CSiCH)(CCH)	128.4120	0.000	1	128.4120	0.000	1	127.3247	0.971	6	126.5479	5.033	7	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:4:3:	C[6]-4:C-3:O-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C-3:C-4:C-3:	C(C[6]C[5,6]C[6]H)(CCC)(O)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]CH)(CCO)(H)	C(CC[6]O)(CH3)(CCC)	C(C[6]C[5,6]C[6]H)(CCC)(O)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]CH)(CCO)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(CC[6]O)(CH3)(CCC)	121.8870	0.000	1	121.8870	0.000	1	121.8870	0.000	1	126.5479	5.033	7	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	3:4:4:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:C-4:C-4:	C(C[6]C[6,6]C[6]H)(CCC)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CCH)(H)	C(CC[6]H)(CCCH)(CH3)	C(C[6]C[6,6]C[6]H)(CCC)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CCH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C(CC[6]H)(CCCH)(CH3)	119.9580	0.000	1	119.9580	0.000	1	119.9580	0.000	1	119.9580	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C[6]-4:C-3:H-1:	C(C[6]C[5,6]C[6,6]H)(CC[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(CCH)(H)	C(C[6]C[6]N[6]H)(CC[6]H)(H)	C(C[6]C[5,6]C[6,6]H)(CC[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(CCH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6]N[6]H)(CC[6]H)(H)	126.2610	0.000	1	126.2610	0.000	1	126.2610	0.000	1	125.3692	9.521	5	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C[6]-4:C-3:H-1:	C(C[6]C[6,6]C[6]H)(CC[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCH)(H)	C(C[6]C[6]O[6]H)(CC[6]H)(H)	C(C[6]C[6,6]C[6]H)(CC[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCH)(H){1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6]O[6]H)(CC[6]H)(H)	124.6320	0.000	2	124.6320	0.000	2	124.6320	0.000	2	125.3692	9.521	5	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C-3:H-1:	C[6]-4:N[6]-4:C-3:H-1:	C[6]-4:C-3:H-1:	C(C[6]C[6]N[6]H)(CC[6]H)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCH)(H)	C(C[6]C[5,6]C[6,6]H)(CC[6]H)(H)	C(C[6]C[6]N[6]H)(CC[6]H)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCH)(H){2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6,6]H)(CC[6]H)(H)	121.4160	0.000	1	121.4160	0.000	1	121.4160	0.000	1	125.3692	9.521	5	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C-3:H-1:	P[5,5,6]-4:C[6]-4:C-3:H-1:	C-4:C-3:H-1:	C(C[6]P[5,5,6]C[6]H)(CCH)(H)	C[6](P[5,5,6]C[5,5,6,6]C[5,5,6]W)(C[6]C[6,6]CH)(CCH)(H)	C(CP[6]HH)(CC[6]H)(H)	C(C[6]P[5,5,6]C[6]H)(CCH)(H)	C[6](P[5,5,6]C[5,5,6,6]C[5,5,6]W)(C[6]C[6,6]CH)(CCH)(H){1|C<4>,1|P<4>,3|C<3>,3|H<1>}	C(CP[6]HH)(CC[6]H)(H)	129.9050	0.000	1	129.9050	0.000	1	129.9050	0.000	1	125.3692	9.521	5	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	4:3:3:	C[6]-4:C-3:H-1:	C[3,6]-4:C[6]-4:C-3:H-1:	C-4:C-3:C-3:	C(C[6]C[3,6]C[6]H)(CCC)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCH)(H)	C(CC[5]HH)(CC[6]H)(CHO)	C(C[6]C[3,6]C[6]H)(CCC)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCH)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C(CC[5]HH)(CC[6]H)(CHO)	132.4910	0.000	1	132.4910	0.000	1	132.4910	0.000	1	132.4910	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	4:3:4:	C[6]-4:C-3:H-1:	C[3,6]-4:C[6]-4:C-3:H-1:	C-4:C-3:C-4:	C(C[6]C[3,6]C[6]H)(CCC)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCH)(H)	C(CC[5]HH)(CC[6]H)(CH3)	C(C[6]C[3,6]C[6]H)(CCC)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCH)(H){1|O<2>,2|H<1>,6|C<4>}	C(CC[5]HH)(CC[6]H)(CH3)	123.7440	0.000	1	123.7440	0.000	1	127.8030	32.951	2	126.8990	48.956	4	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	4:3:4:	C[6]-4:C-3:H-1:	C[3,6]-4:C[6]-4:C-3:H-1:	C-4:C-3:C-4:	C(C[6]C[3,6]C[6]H)(CCC)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCH)(H)	C(CC[5]HH)(CC[6]H)(CHHO)	C(C[6]C[3,6]C[6]H)(CCC)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCH)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C(CC[5]HH)(CC[6]H)(CHHO)	131.8620	0.000	1	131.8620	0.000	1	127.8030	32.951	2	126.8990	48.956	4	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	4:3:4:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-4:C-3:C-4:	C(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[5]C[6]O)(C[6]C[6]CH)(CCH)(H)	C(CC[5]HH)(CC[6]H)(CH3)	C(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[5]C[6]O)(C[6]C[6]CH)(CCH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(CC[5]HH)(CC[6]H)(CH3)	133.4330	0.000	1	133.4330	0.000	1	133.4330	0.000	1	126.8990	48.956	4	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:1:	4:3:4:	C[6]-4:C-3:O-1:	C[6]-4:C[6]-4:C-3:H-1:	P-4:C-3:C-4:	C(C[6]C[6]2H)(CCP)(O)	C[6](C[6]C[6]HH)2(CCO)(H)	C(PC[6a]3)(CC[6]O)(CH3)	C(C[6]C[6]2H)(CCP)(O)	C[6](C[6]C[6]HH)2(CCO)(H){1|O<2>,4|H<1>}	C(PC[6a]3)(CC[6]O)(CH3)	118.5570	0.000	1	118.5570	0.000	1	118.5570	0.000	1	126.8990	48.956	4	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:2:	3:1:1:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:O-2:	C-3:H-1:H-1:	C(C[6]C[6,6]C[6]O)(CHH)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CCH)(OH)	C(CC[6]H)(H)2	C(C[6]C[6,6]C[6]O)(CHH)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CCH)(OH){1|C<3>,3|C<4>,6|H<1>}	C(CC[6]H)(H)2	125.9860	0.000	1	125.9860	0.000	1	125.9860	0.000	1	125.6898	1.321	5	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:2:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C-3:H-1:H-1:	C(C[6]C[6]2O)(CHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCH)(OH)	C(CC[6]H)(H)2	C(C[6]C[6]2O)(CHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCH)(OH){1|C<4>,2|H<1>,2|O<2>}	C(CC[6]H)(H)2	125.6158	1.313	4	125.6158	1.724	4	125.6158	1.724	4	125.6898	1.321	5	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:2:	3:3:1:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C-3:O-2:	C[6a]-3:C-3:H-1:	C(C[6]C[5,6]C[6]O)(CC[6a]H)(H)	C[6](C[5,6]S[5,6]C[5]H)(C[6]C[6]HH)(CCH)(OH)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[5,6]C[6]O)(CC[6a]H)(H)	C[6](C[5,6]S[5,6]C[5]H)(C[6]C[6]HH)(CCH)(OH){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C(C[6a]C[6a]2)(CC[6]H)(H)	125.3895	1.565	2	125.3895	2.449	2	125.3895	2.449	2	124.0885	7.730	8	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:2:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C-3:C-3:H-1:	C(C[6]C[6]2O)(CCH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(OH)	C(CC[6]H)(CCO)(H)	C(C[6]C[6]2O)(CCH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(OH){1|C<4>,1|O<2>,3|H<1>}	C(CC[6]H)(CCO)(H)	125.8610	0.000	1	125.8610	0.000	1	126.0500	0.610	3	124.0885	7.730	8	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:2:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C-3:C-3:H-1:	C(C[6]C[6]2O)(CCH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(OH)	C(CC[6]H)(COO)(H)	C(C[6]C[6]2O)(CCH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(OH){1|C<4>,4|H<1>}	C(CC[6]H)(COO)(H)	126.9080	0.000	1	126.9080	0.000	1	126.0500	0.610	3	124.0885	7.730	8	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:2:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C-3:C-3:H-1:	C(C[6]C[6]2O)(CCH)(H)	C[6](C[6]C[6]ClC)(C[6]C[6]CC)(CCH)(OH)	C(CC[6]H)(CCO)(H)	C(C[6]C[6]2O)(CCH)(H)	C[6](C[6]C[6]ClC)(C[6]C[6]CC)(CCH)(OH){1|C<4>,4|H<1>}	C(CC[6]H)(CCO)(H)	125.3810	0.000	1	125.3810	0.000	1	126.0500	0.610	3	124.0885	7.730	8	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:2:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C[6a]-3:C-3:H-1:	C(C[6]C[6]2O)(CC[6a]H)(H)	C[6](C[6]C[6]CF)(C[6]C[6]HH)(CCH)(OH)	C(C[6a]C[6a]2)(CC[6]H)(H)	C(C[6]C[6]2O)(CC[6a]H)(H)	C[6](C[6]C[6]CF)(C[6]C[6]HH)(CCH)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(CC[6]H)(H)	124.0290	0.000	1	124.0290	0.000	1	124.0290	0.000	1	124.0885	7.730	8	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:2:	3:3:1:	C[6]-4:C-3:O-1:	C[6]-4:C[6]-4:C-3:O-2:	C-3:C-3:H-1:	C(C[6]C[6]2O)(CCH)(O)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CCO)(OH)	C(CC[5,6]C)(CC[6]O)(H)	C(C[6]C[6]2O)(CCH)(O)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(CCO)(OH){2|C<4>,3|H<1>}	C(CC[5,6]C)(CC[6]O)(H)	119.8750	0.064	2	119.8750	0.004	2	119.8750	0.004	2	124.0885	7.730	8	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:2:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C-3:C-4:H-1:	C(C[6]C[6]2O)(CCH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(OH)	C(CC[6]H)(CCHO)(H)	C(C[6]C[6]2O)(CCH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(OH){1|C<4>,1|O<2>,3|H<1>}	C(CC[6]H)(CCHO)(H)	127.7835	0.419	2	127.7835	0.176	2	127.7835	0.176	2	127.7835	0.176	2	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:2:	4:3:1:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:C-2:	C-4:C-3:H-1:	C(C[6]C[6,6]C[6]C)(CCH)(H)	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]CC)(CCH)(CN)	C(CC[5a]CC)(CC[6]H)(H)	C(C[6]C[6,6]C[6]C)(CCH)(H)	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]CC)(CCH)(CN){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(CC[5a]CC)(CC[6]H)(H)	129.9090	0.000	1	129.9090	0.000	1	129.9090	0.000	1	128.0315	7.050	2	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:2:	4:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:O-2:	P-4:C-3:H-1:	C(C[6]C[6]2O)(CHP)(H)	C[6](C[6]C[6]HH)2(CCH)(OH)	C(PC[6a]2O)(CC[6]H)(H)	C(C[6]C[6]2O)(CHP)(H)	C[6](C[6]C[6]HH)2(CCH)(OH){1|C<4>,4|H<1>}	C(PC[6a]2O)(CC[6]H)(H)	126.1540	0.000	1	126.1540	0.000	1	126.1540	0.000	1	128.0315	7.050	2	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:3:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C-3:H-1:H-1:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]O)(CCH)	C(CC[6]H)(H)2	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]O)(CCH){1|C<2>,2|C<4>,2|H<1>}	C(CC[6]H)(H)2	125.4600	0.000	1	125.4600	0.000	1	126.1823	0.878	3	126.1823	0.878	3	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:3:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C-3:H-1:H-1:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6a]O)(CCH)	C(CC[6]H)(H)2	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6a]O)(CCH){1|C<3>,1|C<4>,3|H<1>}	C(CC[6]H)(H)2	125.8460	0.000	1	126.5435	0.973	2	126.1823	0.878	3	126.1823	0.878	3	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:3:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C-3:H-1:H-1:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6a]O)(CCH)	C(CC[6]H)(H)2	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6a]O)(CCH){2|C<4>,3|H<1>}	C(CC[6]H)(H)2	127.2410	0.000	1	126.5435	0.973	2	126.1823	0.878	3	126.1823	0.878	3	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:3:3:	4:3:4:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:N-3:	C-4:C-3:C-4:	C(C[6]C[6]2N)(CCC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(CCH)(NCH)	C(CC[6]CC)(CC[6]H)(CH3)	C(C[6]C[6]2N)(CCC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(CCH)(NCH){1|C<4>,4|H<1>}	C(CC[6]CC)(CC[6]H)(CH3)	129.8740	0.000	1	129.8740	0.000	1	129.8740	0.000	1	129.8740	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:4:3:	3:1:1:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C-4:C-3:	C-3:H-1:H-1:	C(C[6]C[5,6]C[6]C)(CHH)(H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CH3)(CCH)	C(CC[6]H)(H)2	C(C[6]C[5,6]C[6]C)(CHH)(H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CH3)(CCH){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C(CC[6]H)(H)2	127.2360	0.000	1	127.2360	0.000	1	127.2360	0.000	1	129.6215	12.282	30	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:4:3:	3:1:1:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C-3:H-1:H-1:	C(C[6]C[6,6]C[6]C)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(CCH)	C(CC[6]H)(H)2	C(C[6]C[6,6]C[6]C)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(CCH){4|C<4>,4|H<1>}	C(CC[6]H)(H)2	129.2810	0.000	2	129.2810	0.000	2	129.2810	0.000	2	129.6215	12.282	30	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:4:3:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C-3:Cl-1:H-1:	C(C[6]C[6]2C)(CClH)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(CH3)(CCH)	C(CC[6]H)(Cl)(H)	C(C[6]C[6]2C)(CClH)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(CH3)(CCH){1|Cl<1>,2|C<4>,2|H<1>}	C(CC[6]H)(Cl)(H)	127.5360	0.000	1	127.5360	0.000	1	127.5360	0.000	1	129.6215	12.282	30	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:4:3:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C-3:H-1:H-1:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(CH3)(CCH)	C(CC[6]H)(H)2	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(CH3)(CCH){1|O<2>,2|C<4>,2|H<1>}	C(CC[6]H)(H)2	129.4970	0.000	1	129.4970	0.000	1	129.9921	13.564	25	129.6215	12.282	30	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:4:3:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C-3:H-1:H-1:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[3x6]HO)(C[6]C[6]HH)(CH3)(CCH)	C(CC[6]H)(H)2	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[3x6]HO)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C(CC[6]H)(H)2	128.2000	0.000	1	128.2000	0.000	1	129.9921	13.564	25	129.6215	12.282	30	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:4:3:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C-3:H-1:H-1:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[4x6]CH)(C[6]C[6]HH)(CH3)(CCH)	C(CC[6]H)(H)2	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[4x6]CH)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(CC[6]H)(H)2	125.4420	0.000	1	125.4420	0.000	1	129.9921	13.564	25	129.6215	12.282	30	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:4:3:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C-3:H-1:H-1:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(CH3)(CCH)	C(CC[6]H)(H)2	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(CC[6]H)(H)2	127.3190	2.809	2	127.3190	7.888	2	129.9921	13.564	25	129.6215	12.282	30	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:4:3:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C-3:H-1:H-1:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(CCH)	C(CC[6]H)(H)2	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(CCH){2|C<4>,3|H<1>}	C(CC[6]H)(H)2	132.7085	1.204	2	132.7085	1.450	2	129.9921	13.564	25	129.6215	12.282	30	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:4:3:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C-3:H-1:H-1:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[5,6]HN)(C[6]C[6]ClH)(CH3)(CCH)	C(CC[6]H)(H)2	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[5,6]HN)(C[6]C[6]ClH)(CH3)(CCH){2|C<4>,3|H<1>}	C(CC[6]H)(H)2	127.7720	0.000	1	127.7720	0.000	1	129.9921	13.564	25	129.6215	12.282	30	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:4:3:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C-3:H-1:H-1:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CCHH)(CCH)	C(CC[6]H)(H)2	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CCHH)(CCH){2|C<3>,2|H<1>}	C(CC[6]H)(H)2	128.1150	0.000	1	128.1150	0.000	1	129.9921	13.564	25	129.6215	12.282	30	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:4:3:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C-3:H-1:H-1:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(CH3)(CCH)	C(CC[6]H)(H)2	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(CH3)(CCH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(CC[6]H)(H)2	132.8120	5.620	2	132.8120	31.585	2	129.9921	13.564	25	129.6215	12.282	30	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:4:3:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C-3:H-1:H-1:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCH)	C(CC[6]H)(H)2	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C(CC[6]H)(H)2	133.7440	5.350	4	130.6725	17.339	10	129.9921	13.564	25	129.6215	12.282	30	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:4:3:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C-3:H-1:H-1:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCH)	C(CC[6]H)(H)2	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCH){2|C<4>,3|H<1>}	C(CC[6]H)(H)2	128.6248	1.208	6	130.6725	17.339	10	129.9921	13.564	25	129.6215	12.282	30	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:4:3:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C-3:H-1:H-1:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)(CCH)	C(CC[6]H)(H)2	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)(CCH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(CC[6]H)(H)2	134.7770	0.000	1	134.7770	0.000	1	129.9921	13.564	25	129.6215	12.282	30	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:4:3:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C-3:H-1:H-1:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(CCH)	C(CC[6]H)(H)2	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C(CC[6]H)(H)2	129.9530	0.000	1	129.0370	1.678	2	129.9921	13.564	25	129.6215	12.282	30	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:4:3:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C-3:H-1:H-1:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(CCH)	C(CC[6]H)(H)2	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(CCH){2|C<3>,2|H<1>}	C(CC[6]H)(H)2	128.1210	0.000	1	129.0370	1.678	2	129.9921	13.564	25	129.6215	12.282	30	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:4:3:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C-3:H-1:H-1:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)(CCH)	C(CC[6]H)(H)2	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)(CCH){1|C<4>,2|C<3>}	C(CC[6]H)(H)2	125.5220	0.000	1	125.5220	0.000	1	129.9921	13.564	25	129.6215	12.282	30	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:4:3:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:S-4:C-3:	C-3:H-1:H-1:	C(C[6]C[6]2S)(CHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)(CCH)	C(CC[6]H)(H)2	C(C[6]C[6]2S)(CHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)(CCH){1|C<3>,3|H<1>}	C(CC[6]H)(H)2	125.5070	0.000	1	125.5070	0.000	1	125.5070	0.000	1	129.6215	12.282	30	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:4:3:	3:3:1:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C-4:C-3:	C-3:C-3:H-1:	C(C[6]C[5,6]C[6]C)(CCH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]CC)(CH3)(CCH)	C(CC[5]O)(CC[6]H)(H)	C(C[6]C[5,6]C[6]C)(CCH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]CC)(CH3)(CCH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(CC[5]O)(CC[6]H)(H)	134.0833	0.431	3	134.0833	0.185	3	134.0833	0.185	3	126.7046	37.915	14	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:4:3:	3:3:1:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C-3:C-3:H-1:	C(C[6]C[6,6]C[6]C)(CCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CCH)	C(CC[6]H)(COO)(H)	C(C[6]C[6,6]C[6]C)(CCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CCH){1|C<3>,3|C<4>,4|H<1>}	C(CC[6]H)(COO)(H)	130.7290	0.000	1	129.8200	10.773	3	129.2878	8.315	4	126.7046	37.915	14	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:4:3:	3:3:1:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C-3:C-3:H-1:	C(C[6]C[6,6]C[6]C)(CCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CCH)	C(CC[6]H)(COO)(H)	C(C[6]C[6,6]C[6]C)(CCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CCH){1|O<2>,3|H<1>,4|C<4>}	C(CC[6]H)(COO)(H)	126.1790	0.000	1	129.8200	10.773	3	129.2878	8.315	4	126.7046	37.915	14	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:4:3:	3:3:1:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C-3:C-3:H-1:	C(C[6]C[6,6]C[6]C)(CCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CCH)	C(CC[6]H)(COO)(H)	C(C[6]C[6,6]C[6]C)(CCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CCH){4|C<4>,4|H<1>}	C(CC[6]H)(COO)(H)	132.5520	0.000	1	129.8200	10.773	3	129.2878	8.315	4	126.7046	37.915	14	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:4:3:	3:3:1:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C-3:C-3:H-1:	C(C[6]C[6,6]C[6]C)(CCH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]O[6]CH)(CH3)(CCH)	C(CC[6]H)(COO)(H)	C(C[6]C[6,6]C[6]C)(CCH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]O[6]CH)(CH3)(CCH){1|C<3>,2|C<4>,2|H<1>}	C(CC[6]H)(COO)(H)	127.6910	0.000	1	127.6910	0.000	1	129.2878	8.315	4	126.7046	37.915	14	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:4:3:	3:3:1:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C[5]-3:C-3:H-1:	C(C[6]C[6,6]C[6]C)(CC[5]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CH3)(CCH)	C(C[5]C[5]2)(CC[6]H)(H)	C(C[6]C[6,6]C[6]C)(CC[5]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CH3)(CCH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[5]C[5]2)(CC[6]H)(H)	126.2590	0.000	1	126.2590	0.000	1	126.2590	0.000	1	126.7046	37.915	14	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:4:3:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C-3:C-3:H-1:	C(C[6]C[6]2C)(CCH)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(CCCH)(CCH)	C(CC[6]H)(CCH)(H)	C(C[6]C[6]2C)(CCH)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(CCCH)(CCH){1|C<3>,1|H<1>,2|O<2>}	C(CC[6]H)(CCH)(H)	124.5500	0.000	1	124.5500	0.000	1	125.4015	1.450	2	126.7046	37.915	14	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:4:3:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C-3:C-3:H-1:	C(C[6]C[6]2C)(CCH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CH3)(CCH)	C(CC[6]H)(CCO)(H)	C(C[6]C[6]2C)(CCH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CH3)(CCH){1|O<1>,2|C<3>}	C(CC[6]H)(CCO)(H)	126.2530	0.000	1	126.2530	0.000	1	125.4015	1.450	2	126.7046	37.915	14	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:4:3:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C[5a]-3:C-3:H-1:	C(C[6]C[6]2C)(CC[5a]H)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CH3)(CCH)	C(C[5a]C[5a]N[5a])(CC[6]H)(H)	C(C[6]C[6]2C)(CC[5a]H)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CH3)(CCH){1|N<3>,2|C<3>,3|H<1>}	C(C[5a]C[5a]N[5a])(CC[6]H)(H)	125.7080	0.000	1	125.7080	0.000	1	125.7080	0.000	1	126.7046	37.915	14	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:4:3:	3:3:1:	C[6]-4:C-3:O-1:	C[3,6]-4:C[6]-4:C-4:C-3:	C[6]-3:C-3:H-1:	C(C[6]C[3,6]C[6]C)(CC[6]H)(O)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CH)(CH3)(CCO)	C(C[6]C[6]2)(CC[6]O)(H)	C(C[6]C[3,6]C[6]C)(CC[6]H)(O)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CH)(CH3)(CCO){2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6]2)(CC[6]O)(H)	118.0550	0.000	1	118.0550	0.000	1	118.0550	0.000	1	126.7046	37.915	14	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:4:3:	3:3:1:	C[6]-4:C-3:O-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-3:C-3:H-1:	C(C[6]C[6]2C)(CC[6]H)(O)	C[6](C[6]C[4,6]CH)(C[6]C[6]FH)(CH3)(CCO)	C(C[6]C[6]2)(CC[6]O)(H)	C(C[6]C[6]2C)(CC[6]H)(O)	C[6](C[6]C[4,6]CH)(C[6]C[6]FH)(CH3)(CCO){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(CC[6]O)(H)	117.6160	0.000	1	117.6160	0.000	1	116.8195	1.269	2	126.7046	37.915	14	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:4:3:	3:3:1:	C[6]-4:C-3:O-1:	C[6]-4:C[6]-4:C-4:C-3:	C[6]-3:C-3:H-1:	C(C[6]C[6]2C)(CC[6]H)(O)	C[6](C[6]C[4,6]CH)(C[6]C[6]HO)(CH3)(CCO)	C(C[6]C[6]2)(CC[6]O)(H)	C(C[6]C[6]2C)(CC[6]H)(O)	C[6](C[6]C[4,6]CH)(C[6]C[6]HO)(CH3)(CCO){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2)(CC[6]O)(H)	116.0230	0.000	1	116.0230	0.000	1	116.8195	1.269	2	126.7046	37.915	14	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:1:	4:4:4:3:	4:3:1:	C[6]-4:C-3:H-1:	C[4,6]-4:C[6]-4:C-4:C-3:	C-4:C-3:H-1:	C(C[6]C[4,6]C[6]C)(CCH)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6,6a]CC)(CH3)(CCH)	C(CC[4]HH)(CC[6]H)(H)	C(C[6]C[4,6]C[6]C)(CCH)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6,6a]CC)(CH3)(CCH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(CC[4]HH)(CC[6]H)(H)	132.7090	0.000	1	132.7090	0.000	1	132.7090	0.000	1	132.7090	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:2:	2:2:3:1:	3:3:1:	C[6]-4:C-3:O-2:	O[6]-2:N[6]-2:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[6]N[6]O[6]H)(CC[6a]H)(OC)	C[6](O[6]C[6,6a])(N[6]C[6])(CCO)(H)	C(C[6a]C[6a]2)(CC[6]O)(H)	C(C[6]N[6]O[6]H)(CC[6a]H)(OC)	C[6](O[6]C[6,6a])(N[6]C[6])(CCO)(H){3|C<3>}	C(C[6a]C[6a]2)(CC[6]O)(H)	125.8650	0.000	1	125.8650	0.000	1	125.8650	0.000	1	125.8650	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:2:	2:2:4:3:	3:4:1:	C[6]-4:C-3:C-2:	O[6]-2:O[6]-2:C-4:C-3:	C-3:C-4:O-1:	C(C[6]O[6]2C)(CCO)(CO)	C[6](O[6]C[6])2(CC3)(CCC)	C(CC[6]C)(CC3)(O)	C(C[6]O[6]2C)(CCO)(CO)	C[6](O[6]C[6])2(CC3)(CCC){1|C<3>,1|C<4>,1|O<1>}	C(CC[6]C)(CC3)(O)	124.6080	0.000	1	124.6080	0.000	1	124.6080	0.000	1	124.6080	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:2:	3:3:3:1:	3:2:1:	C[6]-4:C-3:N-2:	C[6,6a]-3:N[6]-3:C-3:H-1:	C-3:O-2:O-1:	C(C[6]C[6,6a]N[6]H)(COO)(NN)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCN)(H)	C(CC[6]N)(OC)(O)	C(C[6]C[6,6a]N[6]H)(COO)(NN)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCN)(H){2|H<1>,3|C<3>}	C(CC[6]N)(OC)(O)	123.0170	0.000	1	123.0170	0.000	1	123.0170	0.000	1	123.0170	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:2:	3:3:3:1:	3:4:2:	C[6]-4:C-3:S-2:	N[6]-3:C[6]-3:C-3:H-1:	C-3:C-4:S-2:	C(C[6]C[6]N[6]H)(CCS)(SCo)	C[6](N[6]C[6,6a]H)(C[6]N[6]O)(CCS)(H)	C(CC[6]S)(CCCH)(SCo)	C(C[6]C[6]N[6]H)(CCS)(SCo)	C[6](N[6]C[6,6a]H)(C[6]N[6]O)(CCS)(H){1|H<1>,2|C<3>}	C(CC[6]S)(CCCH)(SCo)	123.8050	0.000	1	123.8050	0.000	1	123.8050	0.000	1	123.8050	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:2:	3:3:4:3:	3:1:1:	C[6]-4:C-3:O-2:	C[5a,6]-3:C[6a]-3:C[6]-4:C-3:	C-3:H-1:H-1:	C(C[6]C[5a,6]C[6a]C[6])(CHH)(OC)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]N[6]HH)(CCO)	C(CC[6]O)(H)2	C(C[6]C[5a,6]C[6a]C[6])(CHH)(OC)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]N[6]HH)(CCO){1|C<4>,1|N<3>,1|S<4>,3|C<3>,3|H<1>}	C(CC[6]O)(H)2	129.2115	0.165	2	129.2115	0.027	2	129.1690	0.019	3	129.1690	0.019	3	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:2:	3:3:4:3:	3:1:1:	C[6]-4:C-3:O-2:	C[5a,6]-3:C[6a]-3:C[6]-4:C-3:	C-3:H-1:H-1:	C(C[6]C[5a,6]C[6a]C[6])(CHH)(OC)	C[6](C[5a,6]C[5a,6]O[5a])(C[6a]C[6a]2)(C[6]N[6]HH)(CCO)	C(CC[6]O)(H)2	C(C[6]C[5a,6]C[6a]C[6])(CHH)(OC)	C[6](C[5a,6]C[5a,6]O[5a])(C[6a]C[6a]2)(C[6]N[6]HH)(CCO){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C(CC[6]O)(H)2	129.0840	0.000	1	129.0840	0.000	1	129.1690	0.019	3	129.1690	0.019	3	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:2:	4:3:3:2:	3:2:1:	C[6]-4:C-3:N-2:	C[6]-4:N[6]-3:C-3:O-2:	C-3:O-2:O-1:	C(C[6]C[6]N[6]O)(COO)(NN)	C[6](C[6]C[6]HH)(N[6]N[6]C)(CCN)(OSi)	C(CC[6]N)(OC)(O)	C(C[6]C[6]N[6]O)(COO)(NN)	C[6](C[6]C[6]HH)(N[6]N[6]C)(CCN)(OSi){1|C<3>,2|H<1>}	C(CC[6]N)(OC)(O)	125.9445	0.115	2	125.9445	0.013	2	125.9445	0.013	2	125.9445	0.013	2	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	3:3:2:3:	3:3:1:	C[6]-4:C[6a]-3:C-3:	C[6,6a]-3:C[6]-3:O[6]-2:C-3:	C[6a]-3:C-3:H-1:	C(C[6]C[6,6a]C[6]O[6])(C[6a]C[6a]2)(CC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(O[6]C[6])(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C[6])(H)	C(C[6]C[6,6a]C[6]O[6])(C[6a]C[6a]2)(CC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(O[6]C[6])(CC[6a]C){1|Ir<8>,1|H<1>,6|C<3>}	C(C[6a]C[6a]2)(CC[6a]C[6])(H)	119.8570	0.000	1	119.8570	0.000	1	119.8570	0.000	1	119.8570	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	3:3:3:1:	3:1:1:	C[6]-4:C-3:C-3:	C[5a,6]-3:C[6,6a]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[5a,6]C[6,6a]H)(CHH)(COO)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[5a,6]C[6,6a]H)(CHH)(COO)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(CCC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|N<2>}	C(CC[6]C)(H)2	122.1230	0.000	1	122.1230	0.000	1	122.1230	0.000	1	121.9577	9.207	3	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	3:3:3:1:	3:1:1:	C[6]-4:C-3:C-3:	C[6,6a]-3:N[6]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6,6a]N[6]H)(CHH)(CHO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6,6a]N[6]H)(CHH)(CHO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCC)(H){1|C<4>,3|H<1>,4|C<3>}	C(CC[6]C)(H)2	124.9060	0.000	1	124.9060	0.000	1	124.9060	0.000	1	121.9577	9.207	3	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	3:3:3:1:	3:1:1:	C[6]-4:C-3:C-3:	C[6,6a]-3:N[6]-3:C-3:H-1:	C-3:H-1:O-1:	C(C[6]C[6,6a]N[6]H)(CHH)(CHO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCC)(H)	C(CC[6]C)(H)(O)	C(C[6]C[6,6a]N[6]H)(CHH)(CHO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCC)(H){1|C<4>,3|H<1>,4|C<3>}	C(CC[6]C)(H)(O)	118.8440	0.000	1	118.8440	0.000	1	118.8440	0.000	1	121.9577	9.207	3	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	3:3:3:1:	3:2:1:	C[6]-4:C-3:C-3:	C[5a,6]-3:C[6,6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(C[6]C[5a,6]C[6,6a]H)(CHH)(COO)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(CCC)(H)	C(CC[6]C)(OC)(O)	C(C[6]C[5a,6]C[6,6a]H)(CHH)(COO)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(CCC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|N<2>}	C(CC[6]C)(OC)(O)	116.5980	0.000	1	116.5980	0.000	1	116.5980	0.000	1	116.5980	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	3:3:3:1:	3:3:1:	C[6]-4:C-3:N-3:	C[6]-3:C[6]-3:C-3:H-1:	C-3:N-3:H-1:	C(C[6]C[6]2H)(CHN)(NOO)	C[6](C[6]C[6]N)2(CCN)(H)	C(CC[6]N)(NCH)(H)	C(C[6]C[6]2H)(CHN)(NOO)	C[6](C[6]C[6]N)2(CCN)(H){1|N<3>,2|H<1>}	C(CC[6]N)(NCH)(H)	120.0050	0.000	1	120.0050	0.000	1	120.0050	0.000	1	120.0050	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	3:3:3:2:	3:3:1:	C[6]-4:C-3:C-3:	C[6,6a]-3:C[6,6a]-3:C-3:C-2:	C-3:C-3:H-1:	C(C[6]C[6,6a]2C)(CCH)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)(CN)	C(CC[6]C)(CCH)(H)	C(C[6]C[6,6a]2C)(CCH)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)(CN){1|C<4>,2|H<1>,4|C<3>}	C(CC[6]C)(CCH)(H)	119.9415	0.849	2	119.8042	0.299	4	118.3524	10.764	5	115.5652	16.432	9	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	3:3:3:2:	3:3:1:	C[6]-4:C-3:C-3:	C[6,6a]-3:C[6,6a]-3:C-3:C-2:	C-3:C-3:H-1:	C(C[6]C[6,6a]2C)(CCH)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)(CN)	C(CC[6]C)(CCH)(H)	C(C[6]C[6,6a]2C)(CCH)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)(CN){2|H<1>,5|C<3>}	C(CC[6]C)(CCH)(H)	119.6670	0.318	2	119.8042	0.299	4	118.3524	10.764	5	115.5652	16.432	9	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	3:3:3:2:	3:3:1:	C[6]-4:C-3:C-3:	C[6,6a]-3:C[6,6a]-3:C-3:C-2:	C-3:C-3:H-1:	C(C[6]C[6,6a]2C)(CCH)2	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)(CN)	C(CC[6]C)(CBrC)(H)	C(C[6]C[6,6a]2C)(CCH)2	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)(CN){1|C<4>,2|H<1>,4|C<3>}	C(CC[6]C)(CBrC)(H)	112.5450	0.000	1	112.5450	0.000	1	118.3524	10.764	5	115.5652	16.432	9	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	3:3:3:2:	3:3:1:	C[6]-4:C-3:C-3:	C[6,6a]-3:C[6,6a]-3:C-3:C-2:	C-3:C-3:O-1:	C(C[6]C[6,6a]2C)(CCH)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)(CN)	C(CC[6]C)(CBrC)(O)	C(C[6]C[6,6a]2C)(CCH)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)(CN){1|C<4>,2|H<1>,4|C<3>}	C(CC[6]C)(CBrC)(O)	112.4460	0.000	1	112.0983	0.503	3	112.0812	0.337	4	115.5652	16.432	9	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	3:3:3:2:	3:3:1:	C[6]-4:C-3:C-3:	C[6,6a]-3:C[6,6a]-3:C-3:C-2:	C-3:C-3:O-1:	C(C[6]C[6,6a]2C)(CCH)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)(CN)	C(CC[6]C)(CBrC)(O)	C(C[6]C[6,6a]2C)(CCH)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)(CN){2|H<1>,5|C<3>}	C(CC[6]C)(CBrC)(O)	111.9245	0.909	2	112.0983	0.503	3	112.0812	0.337	4	115.5652	16.432	9	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	3:3:3:2:	3:3:1:	C[6]-4:C-3:C-3:	C[6,6a]-3:C[6,6a]-3:C-3:C-2:	C-3:C-3:O-1:	C(C[6]C[6,6a]2C)(CCH)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)(CN)	C(CC[6]C)(CCH)(O)	C(C[6]C[6,6a]2C)(CCH)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)(CN){1|C<4>,2|H<1>,4|C<3>}	C(CC[6]C)(CCH)(O)	112.0300	0.000	1	112.0300	0.000	1	112.0812	0.337	4	115.5652	16.432	9	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	3:3:3:3:	3:2:1:	C[6]-4:C-3:C-3:	C[6]-3:C[6]-3:C-3:C-3:	C-3:O-2:O-1:	C(C[6]C[6]2C)(CIrC)(COO)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCC)2	C(CC[6]C)(OC)(O)	C(C[6]C[6]2C)(CIrC)(COO)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCC)2{1|C<3>,2|H<1>}	C(CC[6]C)(OC)(O)	118.2305	0.678	4	118.2305	0.460	4	118.2305	0.460	4	118.2305	0.460	4	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	3:4:3:1:	3:1:1:	C[6]-4:C-3:C-3:	C[6]-3:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CHH)(COO)	C[6](C[6]C[3,6,6]O)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CHH)(COO)	C[6](C[6]C[3,6,6]O)(C[6]C[6]HH)(CCC)(H){1|O<2>,2|C<4>,2|H<1>}	C(CC[6]C)(H)2	124.6510	0.000	1	124.6510	0.000	1	125.0447	0.137	3	125.0447	0.137	3	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	3:4:3:1:	3:1:1:	C[6]-4:C-3:C-3:	C[6]-3:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CHH)(COO)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CHH)(COO)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCC)(H){2|C<4>,2|H<1>}	C(CC[6]C)(H)2	125.2415	0.204	2	125.2415	0.042	2	125.0447	0.137	3	125.0447	0.137	3	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	3:4:3:1:	3:2:1:	C[6]-4:C-3:C-3:	C[6,6a]-3:C[6]-4:C-3:H-1:	C-3:O-2:O-1:	C(C[6]C[6,6a]C[6]H)(CCH)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(CCC)(H)	C(CC[6]C)(OC)(O)	C(C[6]C[6,6a]C[6]H)(CCH)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(CCC)(H){1|O<2>,3|C<3>}	C(CC[6]C)(OC)(O)	113.6925	0.057	2	113.6925	0.003	2	113.6925	0.003	2	114.7458	0.851	6	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	3:4:3:1:	3:2:1:	C[6]-4:C-3:C-3:	C[6]-3:C[6]-4:C-3:H-1:	C-3:O-2:O-1:	C(C[6]C[6]2H)(CCH)(COO)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(OC)(O)	C(C[6]C[6]2H)(CCH)(COO)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CCC)(H){2|C<4>,2|H<1>}	C(CC[6]C)(OC)(O)	114.5510	0.000	1	114.5510	0.000	1	115.2725	0.307	4	114.7458	0.851	6	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	3:4:3:1:	3:2:1:	C[6]-4:C-3:C-3:	C[6]-3:C[6]-4:C-3:H-1:	C-3:O-2:O-1:	C(C[6]C[6]2H)(CHH)(COO)	C[6](C[6]C[3,6,6]O)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(OC)(O)	C(C[6]C[6]2H)(CHH)(COO)	C[6](C[6]C[3,6,6]O)(C[6]C[6]HH)(CCC)(H){1|O<2>,2|C<4>,2|H<1>}	C(CC[6]C)(OC)(O)	115.1230	0.000	1	115.1230	0.000	1	115.2725	0.307	4	114.7458	0.851	6	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	3:4:3:1:	3:2:1:	C[6]-4:C-3:C-3:	C[6]-3:C[6]-4:C-3:H-1:	C-3:O-2:O-1:	C(C[6]C[6]2H)(CHH)(COO)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(OH)(O)	C(C[6]C[6]2H)(CHH)(COO)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCC)(H){2|C<4>,2|H<1>}	C(CC[6]C)(OH)(O)	115.7080	0.008	2	115.7080	0.000	2	115.2725	0.307	4	114.7458	0.851	6	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C-3:C-3:	C[6,6a]-3:C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[6]C[6,6a]C[6]H)(CCH)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(CCC)(H)	C(CC[6]C)(COO)(H)	C(C[6]C[6,6a]C[6]H)(CCH)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(CCC)(H){1|O<2>,3|C<3>}	C(CC[6]C)(COO)(H)	129.1495	0.480	2	129.1495	0.231	2	129.1495	0.231	2	127.6830	6.567	3	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C-3:C-3:	C[6]-3:C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[6]C[6]2H)(CCH)(COO)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(COO)(H)	C(C[6]C[6]2H)(CCH)(COO)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CCC)(H){2|C<4>,2|H<1>}	C(CC[6]C)(COO)(H)	124.7500	0.000	1	124.7500	0.000	1	124.7500	0.000	1	127.6830	6.567	3	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	3:4:3:3:	3:1:1:	C[6]-4:C-3:C-3:	C[6]-3:C[6]-4:C-3:C-3:	C-3:H-1:H-1:	C(C[6]C[6]2C)(CCO)(CHH)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CCC)(CCO)	C(CC[6]C)(H)2	C(C[6]C[6]2C)(CCO)(CHH)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CCC)(CCO){2|C<3>}	C(CC[6]C)(H)2	123.5460	0.000	1	123.5460	0.000	1	123.5460	0.000	1	123.5460	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	3:4:3:3:	3:4:1:	C[6]-4:C-3:C-3:	C[6]-3:C[6]-4:C-3:C-3:	C-3:C-4:O-1:	C(C[6]C[6]2C)(CCO)(CHH)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CCC)(CCO)	C(CC[6]C)(CH3)(O)	C(C[6]C[6]2C)(CCO)(CHH)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CCC)(CCO){2|C<3>}	C(CC[6]C)(CH3)(O)	115.2780	0.000	1	115.2780	0.000	1	115.2780	0.000	1	115.2780	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	4:2:3:1:	3:1:1:	C[6]-4:C-3:C-3:	C[6]-4:O[6]-2:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]O[6]H)(CHH)(COO)	C[6](C[6]O[6]HH)(O[6]C[6,6])(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]O[6]H)(CHH)(COO)	C[6](C[6]O[6]HH)(O[6]C[6,6])(CCC)(H){1|H<1>,2|C<4>}	C(CC[6]C)(H)2	123.6693	0.870	3	123.6693	0.757	3	123.7940	0.425	5	123.7940	0.425	5	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	4:2:3:1:	3:1:1:	C[6]-4:C-3:C-3:	C[6]-4:O[6]-2:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]O[6]H)(CHH)(COO)	C[6](C[6]O[6]HH)(O[6]O[6])(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]O[6]H)(CHH)(COO)	C[6](C[6]O[6]HH)(O[6]O[6])(CCC)(H){1|C<4>}	C(CC[6]C)(H)2	123.9810	0.267	2	123.9810	0.071	2	123.7940	0.425	5	123.7940	0.425	5	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	4:2:3:1:	3:2:1:	C[6]-4:C-3:C-3:	C[6]-4:O[6]-2:C-3:H-1:	C-3:O-2:O-1:	C(C[6]C[6]O[6]H)(CC[6a]C)(COO)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CCC)(H)	C(CC[6]C)(OC)(O)	C(C[6]C[6]O[6]H)(CC[6a]C)(COO)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CCC)(H){1|H<1>,5|C<3>}	C(CC[6]C)(OC)(O)	115.0200	0.000	1	115.0200	0.000	1	115.1872	1.456	6	115.1872	1.456	6	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	4:2:3:1:	3:2:1:	C[6]-4:C-3:C-3:	C[6]-4:O[6]-2:C-3:H-1:	C-3:O-2:O-1:	C(C[6]C[6]O[6]H)(CHH)(COO)	C[6](C[6]O[6]HH)(O[6]C[6,6])(CCC)(H)	C(CC[6]C)(OC)(O)	C(C[6]C[6]O[6]H)(CHH)(COO)	C[6](C[6]O[6]HH)(O[6]C[6,6])(CCC)(H){1|H<1>,2|C<4>}	C(CC[6]C)(OC)(O)	115.7303	1.612	3	115.7303	2.598	3	115.1872	1.456	6	115.1872	1.456	6	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	4:2:3:1:	3:2:1:	C[6]-4:C-3:C-3:	C[6]-4:O[6]-2:C-3:H-1:	C-3:O-2:O-1:	C(C[6]C[6]O[6]H)(CHH)(COO)	C[6](C[6]O[6]HH)(O[6]O[6])(CCC)(H)	C(CC[6]C)(OH)(O)	C(C[6]C[6]O[6]H)(CHH)(COO)	C[6](C[6]O[6]HH)(O[6]O[6])(CCC)(H){1|C<4>}	C(CC[6]C)(OH)(O)	114.4560	0.320	2	114.4560	0.102	2	115.1872	1.456	6	115.1872	1.456	6	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	4:2:3:1:	3:3:3:	C[6]-4:C-3:C-3:	C[6]-4:O[6]-2:C-3:H-1:	C[6a]-3:C-3:C-3:	C(C[6]C[6]O[6]H)(CC[6a]C)(COO)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CCC)(H)	C(C[6a]C[6a]2)(CC[6]C)(CCH)	C(C[6]C[6]O[6]H)(CC[6a]C)(COO)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(CCC)(H){1|H<1>,5|C<3>}	C(C[6a]C[6a]2)(CC[6]C)(CCH)	124.9780	0.000	1	124.9780	0.000	1	124.9780	0.000	1	124.9780	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	4:3:3:1:	3:1:1:	C[6]-4:C-3:C-3:	C[6]-4:C[6]-3:C-3:H-1:	C-3:H-1:O-1:	C(C[6]C[6]2H)(CCH)(CHO)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CCC)(H)	C(CC[6]C)(H)(O)	C(C[6]C[6]2H)(CCH)(CHO)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CCC)(H){1|C<3>,1|N<3>,2|H<1>}	C(CC[6]C)(H)(O)	121.4860	0.000	1	121.4860	0.000	1	121.4860	0.000	1	122.1486	16.584	5	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	4:3:3:1:	3:1:1:	C[6]-4:C-3:C-3:	C[6]-4:N[6]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]N[6]H)(CCO)(CHH)	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]N[6]H)(CCO)(CHH)	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(CCC)(H){1|C<3>,1|O<2>,2|H<1>}	C(CC[6]C)(H)2	124.0170	0.000	1	124.0170	0.000	1	125.1620	2.622	2	122.1486	16.584	5	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	4:3:3:1:	3:1:1:	C[6]-4:C-3:C-3:	C[6]-4:N[6]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]N[6]H)(CHH)(CHO)	C[6](C[6]C[6]HW)(N[6]C[6]C)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]N[6]H)(CHH)(CHO)	C[6](C[6]C[6]HW)(N[6]C[6]C)(CCC)(H){1|C<3>,2|H<1>}	C(CC[6]C)(H)2	126.3070	0.000	1	126.3070	0.000	1	125.1620	2.622	2	122.1486	16.584	5	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	4:3:3:1:	3:1:1:	C[6]-4:C-3:C-3:	C[6]-4:N[6]-3:C-3:H-1:	C-3:H-1:O-1:	C(C[6]C[6]N[6]H)(CHH)(CHO)	C[6](C[6]C[6]HW)(N[6]C[6]C)(CCC)(H)	C(CC[6]C)(H)(O)	C(C[6]C[6]N[6]H)(CHH)(CHO)	C[6](C[6]C[6]HW)(N[6]C[6]C)(CCC)(H){1|C<3>,2|H<1>}	C(CC[6]C)(H)(O)	115.5470	0.000	1	115.5470	0.000	1	115.5470	0.000	1	122.1486	16.584	5	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	4:3:3:1:	3:1:1:	C[6]-4:C[6a]-3:C-3:	C[6]-4:N[6]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CHH)	C[6](C[6]C[6]HH)(N[6]N[6]C)(CC[6a]C)(H)	C(CC[6a]C[6])(H)2	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CHH)	C[6](C[6]C[6]HH)(N[6]N[6]C)(CC[6a]C)(H){1|C<3>,1|C<4>,2|H<1>}	C(CC[6a]C[6])(H)2	123.3860	0.000	1	123.3860	0.000	1	123.3860	0.000	1	122.1486	16.584	5	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	4:3:3:1:	3:3:1:	C[6]-4:C-3:C-3:	C[6]-4:C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C(C[6]C[6]2H)(CCH)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CCC)(H)	C(CC[5]C)(CC[6]C)(H)	C(C[6]C[6]2H)(CCH)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CCC)(H){1|C<3>,1|N<3>,2|H<1>}	C(CC[5]C)(CC[6]C)(H)	118.0700	0.000	1	118.0700	0.000	1	118.0700	0.000	1	118.0700	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	4:3:3:1:	3:4:1:	C[6]-4:C-3:C-3:	C[6]-4:C[6]-3:C-3:H-1:	C-3:C-4:H-1:	C(C[6]C[6]2H)(CCH)(CHO)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CCC)(H)	C(CC[6]C)(CH3)(H)	C(C[6]C[6]2H)(CCH)(CHO)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CCC)(H){1|C<3>,1|N<3>,2|H<1>}	C(CC[6]C)(CH3)(H)	123.7680	0.000	1	123.7680	0.000	1	122.6080	2.691	2	119.6813	27.042	3	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	4:3:3:1:	3:4:1:	C[6]-4:C-3:C-3:	C[6]-4:C[6]-3:C-3:H-1:	C-3:C-4:H-1:	C(C[6]C[6]2H)(CCH)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CCC)(H)	C(CC[6]C)(CH3)(H)	C(C[6]C[6]2H)(CCH)2	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CCC)(H){1|C<3>,1|N<3>,2|H<1>}	C(CC[6]C)(CH3)(H)	121.4480	0.000	1	121.4480	0.000	1	122.6080	2.691	2	119.6813	27.042	3	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	4:3:3:1:	3:4:1:	C[6]-4:C-3:C-3:	C[6]-4:N[6]-3:C-3:H-1:	C-3:C-4:O-1:	C(C[6]C[6]N[6]H)(CCO)(CHH)	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(CCC)(H)	C(CC[6]C)(CH3)(O)	C(C[6]C[6]N[6]H)(CCO)(CHH)	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(CCC)(H){1|C<3>,1|O<2>,2|H<1>}	C(CC[6]C)(CH3)(O)	113.8280	0.000	1	113.8280	0.000	1	113.8280	0.000	1	119.6813	27.042	3	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	4:4:3:1:	3:1:1:	C[6]-4:C-3:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CHH)(COO)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CHH)(COO)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|O<2>,3|H<1>}	C(CC[6]C)(H)2	124.4120	0.000	1	124.4120	0.000	1	124.7201	1.501	15	124.6126	1.585	16	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	4:4:3:1:	3:1:1:	C[6]-4:C-3:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CHH)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CHH)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(CC[6]C)(H)2	124.9705	0.446	4	125.1883	0.224	12	124.7201	1.501	15	124.6126	1.585	16	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	4:4:3:1:	3:1:1:	C[6]-4:C-3:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CHH)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CHH)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C(CC[6]C)(H)2	125.1857	0.638	3	125.1883	0.224	12	124.7201	1.501	15	124.6126	1.585	16	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	4:4:3:1:	3:1:1:	C[6]-4:C-3:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CHH)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CHH)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(CC[6]C)(H)2	125.0890	0.000	1	125.1883	0.224	12	124.7201	1.501	15	124.6126	1.585	16	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	4:4:3:1:	3:1:1:	C[6]-4:C-3:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CHH)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CHH)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,2|H<1>}	C(CC[6]C)(H)2	124.8960	0.000	1	125.1883	0.224	12	124.7201	1.501	15	124.6126	1.585	16	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	4:4:3:1:	3:1:1:	C[6]-4:C-3:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CHH)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CHH)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,3|H<1>}	C(CC[6]C)(H)2	125.7470	0.352	2	125.1883	0.224	12	124.7201	1.501	15	124.6126	1.585	16	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	4:4:3:1:	3:1:1:	C[6]-4:C-3:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CHH)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CHH)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){2|C<4>,3|H<1>}	C(CC[6]C)(H)2	125.3420	0.000	1	125.1883	0.224	12	124.7201	1.501	15	124.6126	1.585	16	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	4:4:3:1:	3:1:1:	C[6]-4:C-3:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CHH)(COO)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CHH)(COO)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCC)(H){2|C<4>,3|H<1>}	C(CC[6]C)(H)2	121.1390	0.000	1	121.1390	0.000	1	124.7201	1.501	15	124.6126	1.585	16	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	4:4:3:1:	3:1:1:	C[6]-4:C-3:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CHH)(COO)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CHH)(COO)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CCC)(H){1|C<3>,1|C<4>,3|H<1>}	C(CC[6]C)(H)2	122.9900	0.000	1	122.9900	0.000	1	124.7201	1.501	15	124.6126	1.585	16	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	4:4:3:1:	3:1:1:	C[6]-4:C[6a]-3:C-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(CHH)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CC[6a]C)(H)	C(CC[6a]C[6])(H)2	C(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(CHH)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CC[6a]C)(H){1|C<4>,2|N<3>,2|O<1>,4|H<1>}	C(CC[6a]C[6])(H)2	123.0010	0.000	1	123.0010	0.000	1	123.0010	0.000	1	124.6126	1.585	16	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	4:4:3:1:	3:2:1:	C[6]-4:C-3:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:O-2:H-1:	C(C[6]C[6]2H)(CHO)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCC)(H)	C(CC[6]C)(OC)(H)	C(C[6]C[6]2H)(CHO)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCC)(H){1|C<3>,1|N<3>,3|H<1>}	C(CC[6]C)(OC)(H)	129.1150	0.000	1	129.1150	0.000	1	129.1150	0.000	1	117.2935	13.289	18	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	4:4:3:1:	3:2:1:	C[6]-4:C-3:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:O-2:O-1:	C(C[6]C[6]2H)(CHH)(COO)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(OC[6a])(O)	C(C[6]C[6]2H)(CHH)(COO)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|O<2>,3|H<1>}	C(CC[6]C)(OC[6a])(O)	116.0220	0.000	1	116.0220	0.000	1	116.2536	4.415	15	117.2935	13.289	18	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	4:4:3:1:	3:2:1:	C[6]-4:C-3:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:O-2:O-1:	C(C[6]C[6]2H)(CHH)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(OC)(O)	C(C[6]C[6]2H)(CHH)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(CC[6]C)(OC)(O)	118.6620	0.000	1	116.4745	9.570	2	116.2536	4.415	15	117.2935	13.289	18	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	4:4:3:1:	3:2:1:	C[6]-4:C-3:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:O-2:O-1:	C(C[6]C[6]2H)(CHH)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(OC)(O)	C(C[6]C[6]2H)(CHH)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,3|H<1>}	C(CC[6]C)(OC)(O)	114.2870	0.000	1	116.4745	9.570	2	116.2536	4.415	15	117.2935	13.289	18	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	4:4:3:1:	3:2:1:	C[6]-4:C-3:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:O-2:O-1:	C(C[6]C[6]2H)(CHH)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(OH)(O)	C(C[6]C[6]2H)(CHH)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(CC[6]C)(OH)(O)	115.3090	1.490	4	115.9053	1.862	9	116.2536	4.415	15	117.2935	13.289	18	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	4:4:3:1:	3:2:1:	C[6]-4:C-3:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:O-2:O-1:	C(C[6]C[6]2H)(CHH)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(OH)(O)	C(C[6]C[6]2H)(CHH)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C(CC[6]C)(OH)(O)	116.1220	1.130	3	115.9053	1.862	9	116.2536	4.415	15	117.2935	13.289	18	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	4:4:3:1:	3:2:1:	C[6]-4:C-3:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:O-2:O-1:	C(C[6]C[6]2H)(CHH)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(OH)(O)	C(C[6]C[6]2H)(CHH)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,2|H<1>}	C(CC[6]C)(OH)(O)	115.6310	0.000	1	115.9053	1.862	9	116.2536	4.415	15	117.2935	13.289	18	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	4:4:3:1:	3:2:1:	C[6]-4:C-3:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:O-2:O-1:	C(C[6]C[6]2H)(CHH)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(OH)(O)	C(C[6]C[6]2H)(CHH)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){2|C<4>,3|H<1>}	C(CC[6]C)(OH)(O)	117.9150	0.000	1	115.9053	1.862	9	116.2536	4.415	15	117.2935	13.289	18	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	4:4:3:1:	3:2:1:	C[6]-4:C-3:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:O-2:O-1:	C(C[6]C[6]2H)(CHH)(COO)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(OH)(O)	C(C[6]C[6]2H)(CHH)(COO)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCC)(H){2|C<4>,3|H<1>}	C(CC[6]C)(OH)(O)	121.8430	0.000	1	121.8430	0.000	1	116.2536	4.415	15	117.2935	13.289	18	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	4:4:3:1:	3:2:1:	C[6]-4:C-3:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:O-2:O-1:	C(C[6]C[6]2H)(CHH)(COO)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CCC)(H)	C(CC[6]C)(OC)(O)	C(C[6]C[6]2H)(CHH)(COO)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CCC)(H){1|C<3>,1|C<4>,3|H<1>}	C(CC[6]C)(OC)(O)	115.7310	0.000	1	115.7310	0.000	1	116.2536	4.415	15	117.2935	13.289	18	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	4:4:3:1:	3:2:1:	C[6]-4:C-3:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:O-2:O-1:	C(C[6]C[6]2H)(CHO)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCC)(H)	C(CC[6]C)(OC)(O)	C(C[6]C[6]2H)(CHO)(COO)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCC)(H){1|C<3>,1|N<3>,3|H<1>}	C(CC[6]C)(OC)(O)	114.1110	0.000	1	114.1110	0.000	1	116.2536	4.415	15	117.2935	13.289	18	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	4:4:3:1:	3:2:1:	C[6]-4:N-3:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:N-2:H-1:	C(C[6]C[6]2H)(NC[6]C)(CHN)	C[6](C[6]C[6,6]HH)2(CCN)(H)	C(CC[6]N)(NC[6])(H)	C(C[6]C[6]2H)(NC[6]C)(CHN)	C[6](C[6]C[6,6]HH)2(CCN)(H){2|H<1>,3|C<4>}	C(CC[6]N)(NC[6])(H)	119.1820	0.996	2	119.1820	0.991	2	119.1820	0.991	2	117.2935	13.289	18	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C-3:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[6]C[6]2H)(CCH)2	C[6](C[6]C[6]HH)2(CCC)(H)	C(CC[6]C)(COsC)(H)	C(C[6]C[6]2H)(CCH)2	C[6](C[6]C[6]HH)2(CCC)(H){1|C<4>,4|H<1>}	C(CC[6]C)(COsC)(H)	119.6665	1.995	2	119.6665	3.979	2	122.8113	14.559	4	120.5309	18.201	10	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C-3:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[6]C[6]2H)(CC[6a]O)(CCH)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCC)(H)	C(CC[6]C)(CCH)(H)	C(C[6]C[6]2H)(CC[6a]O)(CCH)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCC)(H){1|C<3>,1|C<4>,2|H<1>}	C(CC[6]C)(CCH)(H)	126.2200	0.000	1	125.9560	0.139	2	122.8113	14.559	4	120.5309	18.201	10	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C-3:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[6]C[6]2H)(CC[6a]O)(CCH)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCC)(H)	C(CC[6]C)(CCH)(H)	C(C[6]C[6]2H)(CC[6a]O)(CCH)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCC)(H){1|C<4>,1|H<1>,2|C<3>}	C(CC[6]C)(CCH)(H)	125.6920	0.000	1	125.9560	0.139	2	122.8113	14.559	4	120.5309	18.201	10	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C-3:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C[5a]-3:C-3:H-1:	C(C[6]C[6]2H)(CC[5a]H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H)	C(C[5a]C[5a]N[5a])(CC[6]C)(H)	C(C[6]C[6]2H)(CC[5a]H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(C[5a]C[5a]N[5a])(CC[6]C)(H)	125.9600	0.000	1	125.9600	0.000	1	125.9600	0.000	1	120.5309	18.201	10	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C-3:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C-3:I-1:	C(C[6]C[6]2H)(CC[6a]C)(CC[6a]I)	C[6](C[6]C[6]HH)2(CCC)(H)	C(C[6a]C[6a]2)(CC[6]C)(I)	C(C[6]C[6]2H)(CC[6a]C)(CC[6a]I)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(CC[6]C)(I)	119.7450	0.000	1	119.7450	0.000	1	119.7450	0.000	1	120.5309	18.201	10	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C-3:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C-3:O-1:	C(C[6]C[6]2H)(CC[6a]O)(CCH)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCC)(H)	C(C[6a]C[6a]2)(CC[6]C)(O)	C(C[6]C[6]2H)(CC[6a]O)(CCH)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCC)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(CC[6]C)(O)	114.6060	0.000	1	114.7745	0.057	2	114.7745	0.057	2	120.5309	18.201	10	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C-3:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C-3:O-1:	C(C[6]C[6]2H)(CC[6a]O)(CCH)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCC)(H)	C(C[6a]C[6a]2)(CC[6]C)(O)	C(C[6]C[6]2H)(CC[6a]O)(CCH)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCC)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(CC[6]C)(O)	114.9430	0.000	1	114.7745	0.057	2	114.7745	0.057	2	120.5309	18.201	10	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:N-3:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[6]C[6]2H)(NC[6]H)(CCH)	C[6](C[6]C[6,6]HH)2(CCN)(H)	C(CC[6a]O)(CC[6]N)(H)	C(C[6]C[6]2H)(NC[6]H)(CCH)	C[6](C[6]C[6,6]HH)2(CCN)(H){2|H<1>,3|C<4>}	C(CC[6a]O)(CC[6]N)(H)	119.4050	0.610	2	119.4050	0.372	2	119.4050	0.372	2	120.5309	18.201	10	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	4:4:3:1:	3:3:3:	C[6]-4:C-3:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C-3:C-3:	C(C[6]C[6]2H)(CC[6a]C)(CC[6a]I)	C[6](C[6]C[6]HH)2(CCC)(H)	C(C[6a]C[6a]2)(CC[6]C)2	C(C[6]C[6]2H)(CC[6a]C)(CC[6a]I)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(CC[6]C)2	117.9510	0.000	1	117.9510	0.000	1	117.9510	0.000	1	117.9510	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	4:4:3:1:	3:4:1:	C[6]-4:C-3:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:C-4:O-1:	C(C[6]C[6]2H)(CC[5a]H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(CH3)(O)	C(C[6]C[6]2H)(CC[5a]H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(CC[6]C)(CH3)(O)	114.0000	0.000	1	114.0000	0.000	1	114.0000	0.000	1	114.0000	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	4:4:3:2:	3:3:1:	C[6]-4:C-3:C-3:	C[6]-4:C[6]-4:C-3:O-2:	C[6a]-3:C-3:H-1:	C(C[6]C[6]2O)(CC[6a]H)(CCO)	C[6](C[6]C[6]HH)2(CCC)(OH)	C(C[6a]C[6a]2)(CC[6]C)(H)	C(C[6]C[6]2O)(CC[6a]H)(CCO)	C[6](C[6]C[6]HH)2(CCC)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C(C[6a]C[6a]2)(CC[6]C)(H)	123.1380	3.717	2	123.1380	13.813	2	123.1380	13.813	2	123.1380	13.813	2	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:3:	4:4:3:2:	3:4:1:	C[6]-4:C-3:C-3:	C[6]-4:C[6]-4:C-3:O-2:	C-3:C-4:O-1:	C(C[6]C[6]2O)(CC[6a]H)(CCO)	C[6](C[6]C[6]HH)2(CCC)(OH)	C(CC[6]C)(CH3)(O)	C(C[6]C[6]2O)(CC[6a]H)(CCO)	C[6](C[6]C[6]HH)2(CCC)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C(CC[6]C)(CH3)(O)	114.1950	2.577	2	114.1950	6.639	2	114.1950	6.639	2	114.1950	6.639	2	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:4:	3:3:3:1:	3:3:1:	C[6]-4:C-3:C-4:	N[6]-3:N[6]-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C(C[6]N[6]2H)(CC[5a]H)(CH3)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CCC)(H)	C(C[5a]C[5a]O[5a])(CC[6]C)(H)	C(C[6]N[6]2H)(CC[5a]H)(CH3)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CCC)(H){1|O<1>,2|C<3>}	C(C[5a]C[5a]O[5a])(CC[6]C)(H)	118.4495	0.624	2	118.4495	0.390	2	118.4495	0.390	2	118.4495	0.390	2	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:4:	4:2:3:1:	4:3:1:	C[6]-4:C-3:C-4:	C[6]-4:O[6]-2:C-3:H-1:	C[5]-4:C-3:H-1:	C(C[6]C[6]O[6]H)(CC[5]H)(CH3)	C[6](C[6]C[6]CH)(O[6]C[6])(CCC)(H)	C(C[5]C[5]N[5]H)(CC[6]C)(H)	C(C[6]C[6]O[6]H)(CC[5]H)(CH3)	C[6](C[6]C[6]CH)(O[6]C[6])(CCC)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[5]N[5]H)(CC[6]C)(H)	123.4410	0.000	1	123.4410	0.000	1	123.4410	0.000	1	123.4410	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:4:	4:4:3:1:	3:3:1:	C[6]-4:C-3:C-4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[6]C[6]2H)(CC[6a]H)(CH3)	C[6](C[6]C[6]HH)2(CCC)(H)	C(C[6a]C[6a]2)(CC[6]C)(H)	C(C[6]C[6]2H)(CC[6a]H)(CH3)	C[6](C[6]C[6]HH)2(CCC)(H){1|N<3>,4|H<1>}	C(C[6a]C[6a]2)(CC[6]C)(H)	123.0150	0.000	1	123.0150	0.000	1	123.0150	0.000	1	123.0150	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:4:	4:4:3:1:	3:3:3:	C[6]-4:C-3:C-4:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C-3:C-3:	C(C[6]C[6]2H)(CC[6a]C)(CH3)	C[6](C[6]C[6]HH)2(CCC)(H)	C(C[6a]C[6a]2)(CC[6]C)2	C(C[6]C[6]2H)(CC[6a]C)(CH3)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(CC[6]C)2	121.7090	0.000	1	121.7090	0.000	1	121.7090	0.000	1	121.7090	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:4:	4:4:3:1:	4:3:1:	C[6]-4:C-3:C-4:	C[6,6]-4:C[6]-4:C-3:H-1:	C[3]-4:C-3:H-1:	C(C[6]C[6,6]C[6]H)(CC[3]H)(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCC)(H)	C(C[3]C[3]2H)(CC[6]C)(H)	C(C[6]C[6,6]C[6]H)(CC[3]H)(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCC)(H){1|C<3>,2|C<4>,5|H<1>}	C(C[3]C[3]2H)(CC[6]C)(H)	121.9490	0.000	1	121.9490	0.000	1	121.9490	0.000	1	121.9490	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:3:4:	4:4:3:1:	4:3:3:	C[6]-4:C-3:Si-4:	C[6]-4:C[6]-4:C-3:H-1:	B-4:C[6a]-3:C-3:	C(C[6]C[6]2H)(CC[6a]B)(SiC3)	C[6](C[6]C[6]HH)2(CSiC)(H)	C(BC[6a]N[6]Cl)(C[6a]C[6a]2)(CC[6]Si)	C(C[6]C[6]2H)(CC[6a]B)(SiC3)	C[6](C[6]C[6]HH)2(CSiC)(H){1|C<4>,4|H<1>}	C(BC[6a]N[6]Cl)(C[6a]C[6a]2)(CC[6]Si)	118.2485	0.359	2	118.2485	0.129	2	118.2485	0.129	2	118.2485	0.129	2	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	3:2:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6,6]-3:O[6]-2:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6,6]O[6]H)(CH3)(CHH)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6,6]O[6]H)(CH3)(CHH)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCC)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C(CC[6]C)(H)2	118.1620	0.000	1	118.1620	0.000	1	118.1620	0.000	1	118.1620	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	3:3:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-3:N[6]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]N[6]H)(CH3)(CHH)	C[6](C[6]C[6]C)(N[6]C[6]S)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]N[6]H)(CH3)(CHH)	C[6](C[6]C[6]C)(N[6]C[6]S)(CCC)(H){1|C<3>,3|H<1>}	C(CC[6]C)(H)2	122.2645	0.235	2	122.2645	0.055	2	122.2645	0.055	2	122.2645	0.055	2	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	3:3:3:1:	3:3:1:	C[6]-4:C-4:C-3:	C[6,6]-3:C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C(C[6]C[6,6]C[6]H)(CCHH)(CCH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CCC)(H)	C(CC[6]C)(COO)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(CCH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CCC)(H){1|O<1>,2|C<3>,2|C<4>}	C(CC[6]C)(COO)(H)	119.2070	0.000	1	119.2070	0.000	1	119.2070	0.000	1	119.2070	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	3:3:3:1:	3:4:1:	C[6]-4:C-4:C-3:	C[6]-3:C[6]-3:C-3:H-1:	C-3:C-4:H-1:	C(C[6]C[6]2H)(CH3)(CCH)	C[6](C[6]C[6,6]C)(C[6]C[6]C)(CCC)(H)	C(CC[6]C)(CCHH)(H)	C(C[6]C[6]2H)(CH3)(CCH)	C[6](C[6]C[6,6]C)(C[6]C[6]C)(CCC)(H){1|C<4>,1|H<1>,1|O<2>}	C(CC[6]C)(CCHH)(H)	120.0770	0.000	1	120.0770	0.000	1	120.0770	0.000	1	120.0770	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	3:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[5a,6]-3:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[5a,6]C[6]H)(CH3)(CHH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[5a,6]C[6]H)(CH3)(CHH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCC)(H){1|C<4>,1|N<3>,1|S<4>,2|C<3>}	C(CC[6]C)(H)2	119.6870	0.000	1	119.6870	0.000	1	119.6870	0.000	1	121.6286	6.698	9	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	3:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6,6]-3:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CCHH)(CHH)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6,6]C[6]H)(CCHH)(CHH)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(CCC)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(CC[6]C)(H)2	124.3570	0.000	1	124.3570	0.000	1	123.9325	0.360	2	121.6286	6.698	9	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	3:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6,6]-3:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CH3)(CHH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6,6]C[6]H)(CH3)(CHH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CCC)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(CC[6]C)(H)2	123.5080	0.000	1	123.5080	0.000	1	123.9325	0.360	2	121.6286	6.698	9	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	3:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6,6a]-3:C[5,6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6,6a]C[5,6]H)(CH3)(CHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6,6a]C[5,6]H)(CH3)(CHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CCC)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C(CC[6]C)(H)2	117.4970	0.000	1	117.4970	0.000	1	117.4970	0.000	1	121.6286	6.698	9	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	3:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-3:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CCC)(H){1|C<4>,1|S<4>,4|C<3>}	C(CC[6]C)(H)2	120.2220	0.000	1	120.2220	0.000	1	119.5430	0.922	2	121.6286	6.698	9	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	3:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-3:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(CCC)(H){1|C<4>,1|N<3>,1|S<4>,2|C<3>}	C(CC[6]C)(H)2	118.8640	0.000	1	118.8640	0.000	1	119.5430	0.922	2	121.6286	6.698	9	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	3:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	N[6]-3:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]N[6]H)(CH3)(CHH)	C[6](N[6]C[6,6]S)(C[6]O[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]N[6]H)(CH3)(CHH)	C[6](N[6]C[6,6]S)(C[6]O[6]HH)(CCC)(H){1|H<1>,2|C<4>}	C(CC[6]C)(H)2	122.8320	0.000	1	122.8320	0.000	1	123.5073	0.779	3	121.6286	6.698	9	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	3:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	N[6]-3:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]N[6]H)(CH3)(CHH)	C[6](N[6]N[6,6]C)(C[6]N[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]N[6]H)(CH3)(CHH)	C[6](N[6]N[6,6]C)(C[6]N[6]HH)(CCC)(H){1|S<4>,2|C<4>}	C(CC[6]C)(H)2	123.8450	0.935	2	123.8450	0.874	2	123.5073	0.779	3	121.6286	6.698	9	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	3:4:3:1:	3:4:1:	C[6]-4:C-4:C-3:	C[6]-3:C[6]-4:C-3:H-1:	C-3:C-4:H-1:	C(C[6]C[6]2H)(CCHH)(CCH)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(CCHH)(H)	C(C[6]C[6]2H)(CCHH)(CCH)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(CCC)(H){2|C<4>,3|H<1>}	C(CC[6]C)(CCHH)(H)	123.1800	0.923	5	123.1800	0.852	5	123.1800	0.852	5	123.1800	0.852	5	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:2:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:O[6]-2:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]O[6]H)(CH3)(CHH)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]O[6]H)(CH3)(CHH)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCC)(H){2|C<4>,3|H<1>}	C(CC[6]C)(H)2	119.2630	0.000	1	119.2630	0.000	1	121.2073	2.979	3	121.2073	2.979	3	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:2:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:O[6]-2:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]O[6]H)(CH3)(CHH)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]O[6]H)(CH3)(CHH)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCC)(H){1|C<3>,1|C<4>,2|H<1>}	C(CC[6]C)(H)2	121.8010	0.000	1	122.1795	0.287	2	121.2073	2.979	3	121.2073	2.979	3	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:2:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:O[6]-2:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]O[6]H)(CH3)(CHH)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]O[6]H)(CH3)(CHH)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCC)(H){1|C<3>,1|C<4>,3|H<1>}	C(CC[6]C)(H)2	122.5580	0.000	1	122.1795	0.287	2	121.2073	2.979	3	121.2073	2.979	3	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:2:3:1:	3:4:1:	C[6]-4:C-4:C-3:	C[6,6]-4:O[6]-2:C-3:H-1:	C-3:C-4:H-1:	C(C[6]C[6,6]O[6]H)(CH3)(CCH)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCC)(H)	C(CC[6]C)(CH3)(H)	C(C[6]C[6,6]O[6]H)(CH3)(CCH)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCC)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(CC[6]C)(CH3)(H)	121.1650	0.000	1	121.1650	0.000	1	121.1650	0.000	1	120.8822	4.545	4	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:2:3:1:	3:4:1:	C[6]-4:C-4:C-3:	C[6]-4:O[6]-2:C-3:H-1:	C-3:C-4:H-1:	C(C[6]C[6]O[6]H)(CH3)(CCH)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCC)(H)	C(CC[6]C)(CHHO)(H)	C(C[6]C[6]O[6]H)(CH3)(CCH)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(CC[6]C)(CHHO)(H)	119.1710	0.000	1	119.2880	0.027	2	120.7880	6.764	3	120.8822	4.545	4	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:2:3:1:	3:4:1:	C[6]-4:C-4:C-3:	C[6]-4:O[6]-2:C-3:H-1:	C-3:C-4:H-1:	C(C[6]C[6]O[6]H)(CH3)(CCH)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCC)(H)	C(CC[6]C)(CHHO)(H)	C(C[6]C[6]O[6]H)(CH3)(CCH)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCC)(H){1|C<3>,1|C<4>,1|O<1>}	C(CC[6]C)(CHHO)(H)	119.4050	0.000	1	119.2880	0.027	2	120.7880	6.764	3	120.8822	4.545	4	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:2:3:1:	3:4:1:	C[6]-4:C-4:C-3:	C[6]-4:O[6]-2:C-3:H-1:	C-3:C-4:H-1:	C(C[6]C[6]O[6]H)(CHHO)(CCH)	C[6](C[6]C[6]HO)(O[6]C[6])(CCC)(H)	C(CC[6]C)(CCHH)(H)	C(C[6]C[6]O[6]H)(CHHO)(CCH)	C[6](C[6]C[6]HO)(O[6]C[6])(CCC)(H){1|C<3>,3|H<1>}	C(CC[6]C)(CCHH)(H)	123.7880	0.000	1	123.7880	0.000	1	120.7880	6.764	3	120.8822	4.545	4	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:2:3:1:	3:4:4:	C[6]-4:C-4:C-3:	C[6]-4:O[6]-2:C-3:H-1:	C-3:C-4:C-4:	C(C[6]C[6]O[6]H)(CF3)(CCC)	C[6](C[6]C[6]HH)(O[6]N[6])(CCC)(H)	C(CC[6]C)(CH3)2	C(C[6]C[6]O[6]H)(CF3)(CCC)	C[6](C[6]C[6]HH)(O[6]N[6])(CCC)(H){1|C<4>,3|C<3>}	C(CC[6]C)(CH3)2	121.2420	0.000	1	121.2420	0.000	1	121.2420	0.000	1	121.2420	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:2:3:1:	4:3:1:	C[6]-4:C-4:C-3:	C[6]-4:O[6]-2:C-3:H-1:	C-4:C-3:H-1:	C(C[6]C[6]O[6]H)(CH3)(CCH)	C[6](C[6]C[6,6]HH)(O[6]C[6,6a])(CCC)(H)	C(CC[6]HH)(CC[6]C)(H)	C(C[6]C[6]O[6]H)(CH3)(CCH)	C[6](C[6]C[6,6]HH)(O[6]C[6,6a])(CCC)(H){1|C<4>,1|H<1>,2|C<3>}	C(CC[6]HH)(CC[6]C)(H)	116.4490	0.000	1	116.4490	0.000	1	116.4490	0.000	1	116.4490	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:3:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[5,6]-4:C[6]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[5,6]C[6]H)(CH3)(CHH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[5,6]C[6]H)(CH3)(CHH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCC)(H){1|H<1>,1|O<2>,5|C<4>}	C(CC[6]C)(H)2	121.9070	0.239	2	121.9070	0.057	2	121.9070	0.057	2	120.7342	5.764	9	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:3:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]B[6]HH)(C[6]C[6]C)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]B[6]HH)(C[6]C[6]C)(CCC)(H){2|C<3>,2|O<2>}	C(CC[6]C)(H)2	119.5300	0.000	1	119.5300	0.000	1	120.1595	10.165	4	120.7342	5.764	9	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:3:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCC)(H){1|O<2>,2|C<4>,2|H<1>}	C(CC[6]C)(H)2	120.4290	0.000	1	120.4290	0.000	1	120.1595	10.165	4	120.7342	5.764	9	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:3:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCC)(H){1|H<1>,2|C<3>}	C(CC[6]C)(H)2	120.3395	5.474	2	120.3395	29.962	2	120.1595	10.165	4	120.7342	5.764	9	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:3:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:N[6]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]N[6]H)(CH3)(CHH)	C[6](C[6]O[6]HH)(N[6]C[6]S)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]N[6]H)(CH3)(CHH)	C[6](C[6]O[6]HH)(N[6]C[6]S)(CCC)(H){1|C<4>,2|H<1>}	C(CC[6]C)(H)2	120.7187	2.397	3	120.7187	5.745	3	120.7187	5.745	3	120.7342	5.764	9	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:3:3:1:	3:3:1:	C[6]-4:C-4:C-3:	C[5,6]-4:C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C(C[6]C[5,6]C[6]H)(CCHH)(CCH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCC)(H)	C(CC[6]C)(COO)(H)	C(C[6]C[5,6]C[6]H)(CCHH)(CCH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCC)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C(CC[6]C)(COO)(H)	116.4030	0.000	1	116.4030	0.000	1	116.4030	0.000	1	116.4030	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:3:3:1:	3:4:1:	C[6]-4:C-4:C-3:	C[6]-4:N[6]-3:C-3:H-1:	C-3:C-4:H-1:	C(C[6]C[6]N[6]H)(CH3)(CCH)	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCC)(H)	C(CC[6]C)(CH3)(H)	C(C[6]C[6]N[6]H)(CH3)(CCH)	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCC)(H){1|O<1>,1|O<2>,2|H<1>}	C(CC[6]C)(CH3)(H)	122.2910	0.000	1	122.2910	0.000	1	122.3960	0.022	2	122.3960	0.022	2	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:3:3:1:	3:4:1:	C[6]-4:C-4:C-3:	C[6]-4:N[6]-3:C-3:H-1:	C-3:C-4:H-1:	C(C[6]C[6]N[6]H)(CH3)(CCH)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCC)(H)	C(CC[6]C)(CCHH)(H)	C(C[6]C[6]N[6]H)(CH3)(CCH)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCC)(H){1|H<1>,1|O<2>,2|C<3>}	C(CC[6]C)(CCHH)(H)	122.5010	0.000	1	122.5010	0.000	1	122.3960	0.022	2	122.3960	0.022	2	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:3:3:1:	3:4:4:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-3:C-3:H-1:	C-3:C-4:C-4:	C(C[6]C[6]2H)(CH3)(CCC)	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CCC)(H)	C(CC[6]C)(CH3)2	C(C[6]C[6]2H)(CH3)(CCC)	C[6](C[6]C[6,6]CH)(C[6]C[6]C)(CCC)(H){2|C<4>,2|H<1>}	C(CC[6]C)(CH3)2	121.8340	0.000	1	121.8340	0.000	1	121.8340	0.000	1	121.8340	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:3:3:3:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-3:C-3:C-3:	C-3:H-1:H-1:	C(C[6]C[6]2C)(CHHO)(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCC)(CCO)	C(CC[6]C)(H)2	C(C[6]C[6]2C)(CHHO)(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCC)(CCO){1|C<4>,4|H<1>}	C(CC[6]C)(H)2	123.9600	0.000	1	123.9600	0.000	1	123.7330	0.103	2	123.7330	0.103	2	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:3:3:3:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-3:C-3:C-3:	C-3:H-1:H-1:	C(C[6]C[6]2C)(CN[5a]HH)(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCC)(CCO)	C(CC[6]C)(H)2	C(C[6]C[6]2C)(CN[5a]HH)(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCC)(CCO){1|C<4>,4|H<1>}	C(CC[6]C)(H)2	123.5060	0.000	1	123.5060	0.000	1	123.7330	0.103	2	123.7330	0.103	2	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[5]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[3,5]C[5]H)(C[6]C[5,6]C[6]H)(CHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C)(H)	C(CC[5]C[6])(H)2	C(C[5]C[3,5]C[5]H)(C[6]C[5,6]C[6]H)(CHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C)(H){1|O<2>,2|C<4>,5|H<1>}	C(CC[5]C[6])(H)2	118.1710	0.376	2	118.1710	0.142	2	118.1710	0.142	2	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[3,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[3,6]C[6]H)(CH3)(CHH)	C[6](C[3,6]C[3,6,6]C[3]C)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[3,6]C[6]H)(CH3)(CHH)	C[6](C[3,6]C[3,6,6]C[3]C)(C[6]C[6]HH)(CCC)(H){2|C<4>,4|H<1>}	C(CC[6]C)(H)2	116.3570	0.000	1	116.3570	0.000	1	116.3570	0.000	1	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[5,6]C[6]H)(CH3)(CHH)	C[6](C[5,6]C[5,6,6a]O[5]H)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[5,6]C[6]H)(CH3)(CHH)	C[6](C[5,6]C[5,6,6a]O[5]H)(C[6]C[6]HH)(CCC)(H){2|H<1>,3|C<3>}	C(CC[6]C)(H)2	120.1740	0.000	1	120.1740	0.000	1	120.6397	0.168	3	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[5,6]C[6]H)(CH3)(CHH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[5,6]C[6]H)(CH3)(CHH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(CC[6]C)(H)2	120.7980	0.000	1	120.8725	0.011	2	120.6397	0.168	3	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[5,6]C[6]H)(CH3)(CHH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[5,6]C[6]H)(CH3)(CHH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(CC[6]C)(H)2	120.9470	0.000	1	120.8725	0.011	2	120.6397	0.168	3	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CH3)(CHH)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6,6]C[6]H)(CH3)(CHH)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CCC)(H){1|O<2>,3|C<4>,4|H<1>}	C(CC[6]C)(H)2	120.6460	0.000	1	120.6460	0.000	1	121.8192	3.465	14	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CH3)(CHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6,6]C[6]H)(CH3)(CHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCC)(H){1|C<3>,3|C<4>,3|H<1>}	C(CC[6]C)(H)2	118.0740	0.000	1	118.0740	0.000	1	121.8192	3.465	14	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CH3)(CHH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6,6]C[6]H)(CH3)(CHH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(CC[6]C)(H)2	124.1810	0.000	1	121.5022	2.255	5	121.8192	3.465	14	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CH3)(CHH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6,6]C[6]H)(CH3)(CHH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H){1|C<3>,2|C<4>,5|H<1>}	C(CC[6]C)(H)2	120.9520	0.000	1	121.5022	2.255	5	121.8192	3.465	14	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CH3)(CHH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6,6]C[6]H)(CH3)(CHH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H){1|C<4>,2|C<3>,3|H<1>}	C(CC[6]C)(H)2	120.6790	0.000	1	121.5022	2.255	5	121.8192	3.465	14	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CH3)(CHH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6,6]C[6]H)(CH3)(CHH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H){1|C<4>,2|C<3>,4|H<1>}	C(CC[6]C)(H)2	120.9190	0.000	1	121.5022	2.255	5	121.8192	3.465	14	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CH3)(CHH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6,6]C[6]H)(CH3)(CHH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H){4|C<4>,4|H<1>}	C(CC[6]C)(H)2	120.7800	0.000	1	121.5022	2.255	5	121.8192	3.465	14	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CH3)(CHH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6,6]C[6]H)(CH3)(CHH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCC)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C(CC[6]C)(H)2	119.3770	0.000	1	119.3770	0.000	1	121.8192	3.465	14	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CH3)(CHH)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6,6]C[6]H)(CH3)(CHH)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(CC[6]C)(H)2	123.0125	0.622	2	123.0837	0.208	3	121.8192	3.465	14	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CH3)(CHH)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6,6]C[6]H)(CH3)(CHH)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(CCC)(H){1|C<4>,2|C<3>,4|H<1>}	C(CC[6]C)(H)2	123.2260	0.000	1	123.0837	0.208	3	121.8192	3.465	14	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CH3)(CHH)	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6,6]C[6]H)(CH3)(CHH)	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]HH)(CCC)(H){1|C<4>,2|C<3>,4|H<1>}	C(CC[6]C)(H)2	123.4140	0.000	1	123.4140	0.000	1	121.8192	3.465	14	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6,6]C[6]H)(CHHO)(CHH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6,6]C[6]H)(CHHO)(CHH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCC)(H){1|C<3>,2|C<4>,4|H<1>}	C(CC[6]C)(H)2	123.5980	0.272	2	123.5980	0.074	2	121.8192	3.465	14	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CCHH)(CHH)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CCHH)(CHH)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CCC)(H){1|C<4>,1|O<2>,3|H<1>}	C(CC[6]C)(H)2	120.5940	0.000	1	120.5940	0.000	1	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CCHH)(CHH)	C[6](C[6]C[6]CH)(C[6]O[6]HO)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CCHH)(CHH)	C[6](C[6]C[6]CH)(C[6]O[6]HO)(CCC)(H){1|C<3>,1|C<4>}	C(CC[6]C)(H)2	122.4030	0.000	1	122.4030	0.000	1	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CC[6]HH)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CC[6]HH)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H){1|Br<1>,1|C<4>,3|H<1>}	C(CC[6]C)(H)2	122.3910	0.325	2	122.3910	0.106	2	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[3,6,6]HO)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[3,6,6]HO)(C[6]C[6]HH)(CCC)(H){1|O<2>,2|C<4>,2|H<1>}	C(CC[6]C)(H)2	123.1650	0.000	1	123.1650	0.000	1	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(CCC)(H){1|C<4>,2|H<1>,2|O<2>}	C(CC[6]C)(H)2	121.1040	0.523	2	121.1040	0.274	2	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(CCC)(H){1|C<4>,2|H<1>,2|O<2>}	C(CC[6]C)(H)2	122.0114	1.514	9	122.0114	2.293	9	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[4x6]HH)(C[6]C[6]CC)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[4x6]HH)(C[6]C[6]CC)(CCC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(CC[6]C)(H)2	118.3120	1.457	2	118.3120	2.122	2	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(CCC)(H){1|O<2>,2|C<4>,2|H<1>}	C(CC[6]C)(H)2	122.1945	3.023	2	122.1945	9.138	2	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<4>,2|H<1>,2|O<2>}	C(CC[6]C)(H)2	121.2460	0.457	2	122.7392	0.981	8	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CCC)(H){1|O<1>,1|O<2>,2|C<4>}	C(CC[6]C)(H)2	123.2370	0.378	6	122.7392	0.981	8	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,2|H<1>}	C(CC[6]C)(H)2	119.5600	0.000	1	119.5600	0.000	1	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|S<2>,3|H<1>}	C(CC[6]C)(H)2	123.9887	0.601	3	122.5986	4.034	5	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<4>,2|H<1>,2|O<2>}	C(CC[6]C)(H)2	120.5135	0.960	2	122.5986	4.034	5	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(CC[6]C)(H)2	120.2820	0.000	1	120.2820	0.000	1	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CCC)(H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(CC[6]C)(H)2	119.3460	0.000	1	119.3460	0.000	1	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[5a]C[6]H)2(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[5a]C[6]H)2(CCC)(H){2|N<3>,3|C<3>,3|H<1>}	C(CC[6]C)(H)2	120.1760	0.000	1	120.1760	0.000	1	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,2|H<1>}	C(CC[6]C)(H)2	119.8555	1.148	2	120.1745	1.938	6	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCC)(H){1|H<1>,1|O<2>,2|C<3>}	C(CC[6]C)(H)2	120.1690	0.263	2	120.1745	1.938	6	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(CCC)(H){2|C<4>,3|H<1>}	C(CC[6]C)(H)2	120.4990	2.809	2	120.1745	1.938	6	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C(CC[6]C)(H)2	124.1635	0.210	2	123.4769	2.499	12	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|O<2>,3|H<1>}	C(CC[6]C)(H)2	120.7240	0.000	1	123.4769	2.499	12	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<3>,2|C<4>,2|H<1>}	C(CC[6]C)(H)2	123.7210	0.000	1	123.4769	2.499	12	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|N<4>,3|H<1>}	C(CC[6]C)(H)2	124.5550	0.000	1	123.4769	2.499	12	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|O<2>,3|H<1>}	C(CC[6]C)(H)2	122.8110	0.000	1	123.4769	2.499	12	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|H<1>,1|O<1>,2|C<4>}	C(CC[6]C)(H)2	125.0600	1.349	2	123.4769	2.499	12	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){1|O<2>,2|C<4>,2|H<1>}	C(CC[6]C)(H)2	120.2900	0.000	1	123.4769	2.499	12	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){2|C<4>,3|H<1>}	C(CC[6]C)(H)2	123.6355	0.192	2	123.4769	2.499	12	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCC)(H){2|H<1>,3|C<4>}	C(CC[6]C)(H)2	123.9040	0.000	1	123.4769	2.499	12	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,3|H<1>}	C(CC[6]C)(H)2	122.7770	0.000	1	120.6380	9.151	2	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CCC)(H){2|C<4>,3|H<1>}	C(CC[6]C)(H)2	118.4990	0.000	1	120.6380	9.151	2	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(CCC)(H){1|S<4>,2|C<3>}	C(CC[6]C)(H)2	123.5450	0.322	2	123.5450	0.104	2	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6a]HO)(C[6]O[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6,6a]HO)(C[6]O[6]HH)(CCC)(H){2|C<3>}	C(CC[6]C)(H)2	122.8190	0.000	1	122.8190	0.000	1	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(CC[6]C)(H)2	120.2895	0.244	2	122.0940	4.637	4	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCC)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(CC[6]C)(H)2	124.5410	0.000	1	122.0940	4.637	4	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CCC)(H){1|H<1>,2|O<2>,3|C<3>}	C(CC[6]C)(H)2	123.2560	0.000	1	122.0940	4.637	4	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCC)(H){2|C<4>,3|H<1>}	C(CC[6]C)(H)2	120.4970	0.000	1	120.4970	0.000	1	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(CC[6]C)(H)2	120.7120	0.000	1	121.0426	2.179	10	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H){1|C<3>,1|O<2>,2|H<1>}	C(CC[6]C)(H)2	120.8050	0.000	1	121.0426	2.179	10	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|O<2>,3|H<1>}	C(CC[6]C)(H)2	121.8860	0.041	2	121.0426	2.179	10	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H){2|C<3>,2|H<1>}	C(CC[6]C)(H)2	124.3510	0.000	1	121.0426	2.179	10	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H){2|C<3>,3|H<1>}	C(CC[6]C)(H)2	120.1572	0.888	5	121.0426	2.179	10	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(CC[6]C)(H)2	120.4750	0.000	1	120.4750	0.000	1	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CCC)(H){1|C<4>,1|S<4>,2|H<1>}	C(CC[6]C)(H)2	119.5890	0.000	1	119.5890	0.000	1	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(CC[6]C)(H)2	117.8110	4.165	2	118.9875	7.755	4	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCC)(H){1|C<4>,4|H<1>}	C(CC[6]C)(H)2	120.1640	0.619	2	118.9875	7.755	4	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H){1|B<3>,1|C<4>,1|H<1>,1|O<1>}	C(CC[6]C)(H)2	123.0660	0.000	1	122.3702	3.561	32	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H){1|Br<1>,1|C<4>,3|H<1>}	C(CC[6]C)(H)2	122.3370	2.128	2	122.3702	3.561	32	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<2>,1|C<4>,1|H<1>,1|O<1>}	C(CC[6]C)(H)2	118.9500	0.000	1	122.3702	3.561	32	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(CC[6]C)(H)2	123.4540	0.000	1	122.3702	3.561	32	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<3>,1|C<4>,1|O<1>}	C(CC[6]C)(H)2	120.5350	0.000	2	122.3702	3.561	32	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<3>,1|C<4>,3|H<1>}	C(CC[6]C)(H)2	120.5080	0.000	1	122.3702	3.561	32	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<3>,1|H<1>,1|N<2>}	C(CC[6]C)(H)2	122.6315	0.148	2	122.3702	3.561	32	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<3>,1|H<1>,1|O<1>}	C(CC[6]C)(H)2	120.7885	2.471	2	122.3702	3.561	32	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<3>,3|H<1>}	C(CC[6]C)(H)2	123.3675	0.275	2	122.3702	3.561	32	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(CC[6]C)(H)2	118.6550	0.000	1	122.3702	3.561	32	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<4>,1|O<2>,3|H<1>}	C(CC[6]C)(H)2	121.2640	1.114	4	122.3702	3.561	32	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<4>,1|P<4>,3|H<1>}	C(CC[6]C)(H)2	123.5088	1.664	6	122.3702	3.561	32	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H){1|H<1>,1|O<1>,2|C<4>}	C(CC[6]C)(H)2	123.6837	1.463	7	122.3702	3.561	32	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCC)(H){1|C<4>,1|S<4>,2|H<1>}	C(CC[6]C)(H)2	122.1330	1.191	7	122.1330	1.417	7	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(CCC)(H){1|H<1>,1|O<2>,4|C<3>}	C(CC[6]C)(H)2	123.2800	0.000	1	123.2800	0.000	1	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCC)(H){3|C<3>,3|H<1>}	C(CC[6]C)(H)2	120.3370	0.072	2	120.3370	0.005	2	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|H<1>,3|C<3>}	C(CC[6]C)(H)2	119.8825	2.084	2	119.8825	4.342	2	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6a]S[6]H)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CH3)(CHH)	C[6](C[6]C[6a]S[6]H)(C[6]C[6]HH)(CCC)(H){1|C<4>,2|C<3>,2|H<1>}	C(CC[6]C)(H)2	119.5490	0.000	1	119.5490	0.000	1	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CSiHH)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CSiHH)(CHH)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<4>,1|O<1>,2|H<1>}	C(CC[6]C)(H)2	122.7470	0.000	1	122.7470	0.000	1	121.8315	3.749	127	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(CHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C)(H)	C(CC[5]C[6])(H)2	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(CHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C)(H){1|O<2>,2|C<4>,5|H<1>}	C(CC[5]C[6])(H)2	123.3700	0.000	1	122.8390	1.545	7	122.8390	1.545	7	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(CHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C)(H)	C(CC[5]C[6])(H)2	C(C[6]C[5,6]C[6]H)(C[5]C[5]2H)(CHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C)(H){2|C<4>,6|H<1>}	C(CC[5]C[6])(H)2	122.7505	1.337	6	122.8390	1.545	7	122.8390	1.545	7	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:Si-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(SiC3)(CHH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CSiC)(H)	C(CC[6]Si)(H)2	C(C[6]C[6]2H)(SiC3)(CHH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CSiC)(H){1|C<4>,4|H<1>}	C(CC[6]Si)(H)2	121.5130	0.000	1	121.5130	0.000	1	121.5130	0.000	1	121.7682	3.863	155	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:3:1:	C[6]-4:C-4:C-3:	C[5,6]-4:C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[6]C[5,6]C[6]H)(CH3)(CCH)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(CCO)(H)	C(C[6]C[5,6]C[6]H)(CH3)(CCH)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CCC)(H){1|O<2>,3|C<4>,4|H<1>}	C(CC[6]C)(CCO)(H)	120.6860	0.000	1	120.6860	0.000	1	120.6860	0.000	1	122.1683	7.142	4	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:3:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[6]C[6]2H)(CC[6a]HO)(CCH)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCC)(H)	C(CC[6]C)(CCH)(H)	C(C[6]C[6]2H)(CC[6a]HO)(CCH)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CCC)(H){1|C<3>,1|C<4>,2|H<1>}	C(CC[6]C)(CCH)(H)	125.8120	0.000	1	125.8120	0.000	1	122.7775	18.416	2	122.1683	7.142	4	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:3:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[6]C[6]2H)(CH3)(CCH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(CCO)(H)	C(C[6]C[6]2H)(CH3)(CCH)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCC)(H){1|C<4>,1|O<2>,3|H<1>}	C(CC[6]C)(CCO)(H)	119.7430	0.000	1	119.7430	0.000	1	122.7775	18.416	2	122.1683	7.142	4	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:3:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[6]C[6]2H)(CC[6a]HH)(CC[6a]H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCC)(H)	C(C[6a]C[6a]2)(CC[6]C)(H)	C(C[6]C[6]2H)(CC[6a]HH)(CC[6a]H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCC)(H){1|C<4>,1|S<4>,2|H<1>}	C(C[6a]C[6a]2)(CC[6]C)(H)	122.4320	0.000	1	122.4320	0.000	1	122.4320	0.000	1	122.1683	7.142	4	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:4:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:C-4:H-1:	C(C[6]C[6]2H)(CC[5]HO)(CCH)	C[6](C[6]C[6]HH)2(CCC)(H)	C(CC[6]C)(CCHH)(H)	C(C[6]C[6]2H)(CC[5]HO)(CCH)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<4>,4|H<1>}	C(CC[6]C)(CCHH)(H)	122.7700	0.000	1	122.7700	0.000	1	124.0450	0.848	4	124.0450	0.848	4	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:4:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:C-4:H-1:	C(C[6]C[6]2H)(CHHO)(CCH)	C[6](C[6]C[6]HH)2(CCC)(H)	C(CC[6]C)(CHHN)(H)	C(C[6]C[6]2H)(CHHO)(CCH)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<4>,4|H<1>}	C(CC[6]C)(CHHN)(H)	124.3695	0.562	2	124.3695	0.316	2	124.0450	0.848	4	124.0450	0.848	4	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:4:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:C-4:H-1:	C(C[6]C[6]2H)(CN[5]HH)(CCH)	C[6](C[6]C[5,5,6]CH)(C[6]C[6]HH)(CCC)(H)	C(CC[6]C)(CH3)(H)	C(C[6]C[6]2H)(CN[5]HH)(CCH)	C[6](C[6]C[5,5,6]CH)(C[6]C[6]HH)(CCC)(H){1|C<3>,2|C<4>,2|H<1>}	C(CC[6]C)(CH3)(H)	124.6710	0.000	1	124.6710	0.000	1	124.0450	0.848	4	124.0450	0.848	4	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:1:	3:4:3:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:H-1:	C-3:C-4:C-3:	C(C[6]C[6]2H)(CH3)(CCC)	C[6](C[6]C[6]HH)2(CCC)(H)	C(CC[6]C)(CSiHH)(COO)	C(C[6]C[6]2H)(CH3)(CCC)	C[6](C[6]C[6]HH)2(CCC)(H){1|C<4>,4|H<1>}	C(CC[6]C)(CSiHH)(COO)	120.4430	0.243	2	120.4430	0.059	2	120.4430	0.059	2	120.4430	0.059	2	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:2:	3:1:1:	C[6]-4:C-4:C-3:	C[5,6]-4:C[6]-4:C-3:O-2:	C-3:H-1:H-1:	C(C[6]C[5,6]C[6]O)(CH3)(CHH)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(CCC)(OH)	C(CC[6]C)(H)2	C(C[6]C[5,6]C[6]O)(CH3)(CHH)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(CCC)(OH){2|C<4>,2|O<2>,4|H<1>}	C(CC[6]C)(H)2	123.3870	0.000	1	123.3870	0.000	1	123.3870	0.000	1	123.2782	0.015	4	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:2:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:O-2:	C-3:H-1:H-1:	C(C[6]C[6]2O)(CH3)(CHH)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCC)(OH)	C(CC[6]C)(H)2	C(C[6]C[6]2O)(CH3)(CHH)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCC)(OH){1|H<1>,1|O<2>,2|C<3>}	C(CC[6]C)(H)2	123.1200	0.000	1	123.1200	0.000	1	123.2420	0.014	3	123.2782	0.015	4	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:2:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:O-2:	C-3:H-1:H-1:	C(C[6]C[6]2O)(CH3)(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCC)(OH)	C(CC[6]C)(H)2	C(C[6]C[6]2O)(CH3)(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCC)(OH){2|H<1>,3|C<4>}	C(CC[6]C)(H)2	123.3030	0.075	2	123.3030	0.006	2	123.2420	0.014	3	123.2782	0.015	4	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:2:	3:3:1:	C[6]-4:P-4:C-3:	C[6]-4:C[6]-4:C-3:O-2:	C[6a]-3:C-3:H-1:	C(C[6]C[6]2O)(PC[6a]2O)(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCP)(OH)	C(C[6a]C[6a]2)(CC[6]P)(H)	C(C[6]C[6]2O)(PC[6a]2O)(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCP)(OH){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(CC[6]P)(H)	128.2980	0.000	1	128.2980	0.000	1	128.2980	0.000	1	128.2980	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	930	0:SP2_SP2_SP3	C	C[6]	C	4:4:3:	4:4:3:3:	3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:C-3:N-3:	C-3:H-1:H-1:	C(C[6]C[6]2N)(CH3)(CHH)	C[6](C[6]C[6]HH)2(CCC)(NHS)	C(CC[6]C)(H)2	C(C[6]C[6]2N)(CH3)(CHH)	C[6](C[6]C[6]HH)2(CCC)(NHS){1|C<3>,3|H<1>}	C(CC[6]C)(H)2	122.6450	0.000	1	122.6450	0.000	1	122.6450	0.000	1	122.6450	0.000	1	124.1591	17.310	908	124.3352	17.062	1029
930	466	940	0:SP2_SP-NON_SP3	C	C[6]	P	4:2:4:	3:4:3:1:	3:3:	C[6]-4:P-2:C-4:	P[6]-3:C[6]-4:C-3:H-1:	C[6a]-3:C-3:	C(C[6]C[6]P[6]H)(PC[6a])(CH3)	C[6](P[6]C[6a]C[6])(C[6]C[6]HH)(CCP)(H)	P(C[6a]C[6a]2)(CC[6]C)	C(C[6]C[6]P[6]H)(PC[6a])(CH3)	C[6](P[6]C[6a]C[6])(C[6]C[6]HH)(CCP)(H){1|C<4>,2|H<1>,3|C<3>}	P(C[6a]C[6a]2)(CC[6]C)	116.2930	0.266	2	116.2930	0.071	2	116.2930	0.071	2	116.2930	0.071	2	116.2930	0.071	2	116.2930	0.071	2
930	466	941	0:SP2_SP2_SP3	C	C[3x6]	N	4:2:1:	4:4:3:1:	3:3:	C[3x6]-4:N-2:H-1:	C[4x6]-4:C[4x6]-4:C-3:H-1:	C-3:N-3:	C(C[3x6]C[4x6]2H)(NN)(H)	C[3x6](C[4x6]C[4x6]C[6,6]H)2(CHN)(H)	N(CC[3x6]H)(NC[6a]H)	C(C[3x6]C[4x6]2H)(NN)(H)	C[3x6](C[4x6]C[4x6]C[6,6]H)2(CHN)(H){1|C<3>,2|C<4>,5|H<1>}	N(CC[3x6]H)(NC[6a]H)	121.1810	0.000	1	121.1810	0.000	1	121.1810	0.000	1	121.1810	0.000	1	119.0817	32.544	6	118.7492	20.428	52
930	466	941	0:SP2_SP2_SP3	C	C[3x6]	N	4:2:1:	4:4:4:3:	3:3:	C[3x6]-4:N-2:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6a]-3:C-3:	C(C[3x6]C[6,6]3)(NC[6a])(O)	C[3x6](C[6,6]C[3x6]HH)3(CNO)	N(C[6a]C[6a,6a]C[6a])(CC[3x6]O)	C(C[3x6]C[6,6]3)(NC[6a])(O)	C[3x6](C[6,6]C[3x6]HH)3(CNO){3|C<4>,3|H<1>}	N(C[6a]C[6a,6a]C[6a])(CC[3x6]O)	118.6000	0.000	1	118.6000	0.000	1	118.6000	0.000	1	118.6000	0.000	1	119.0817	32.544	6	118.7492	20.428	52
930	466	941	0:SP2_SP2_SP3	C	C[3x6]	N	4:2:2:	4:4:4:3:	3:3:	C[3x6]-4:N-2:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[5]-3:C-3:	C(C[3x6]C[6,6]3)(NC[5])(ONi)	C[3x6](C[6,6]C[3x6]HH)3(CNO)	N(C[5]N[5]2)(CC[3x6]O)	C(C[3x6]C[6,6]3)(NC[5])(ONi)	C[3x6](C[6,6]C[3x6]HH)3(CNO){3|C<4>,3|H<1>}	N(C[5]N[5]2)(CC[3x6]O)	117.2335	0.183	2	117.2335	0.034	2	117.2335	0.034	2	117.2335	0.034	2	119.0817	32.544	6	118.7492	20.428	52
930	466	941	0:SP2_SP2_SP3	C	C[3x6]	N	4:3:2:	4:4:4:3:	3:3:	C[3x6]-4:N-3:N-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6a]-3:C-3:	C(C[3x6]C[6,6]3)(NC[6a]H)(NC[6a])	C[3x6](C[6,6]C[3x6]HH)3(CNN)	N(C[6a]C[6a]2)(CC[3x6]N)	C(C[3x6]C[6,6]3)(NC[6a]H)(NC[6a])	C[3x6](C[6,6]C[3x6]HH)3(CNN){3|C<4>,3|H<1>}	N(C[6a]C[6a]2)(CC[3x6]N)	128.7540	0.000	1	128.7540	0.000	1	128.7540	0.000	1	128.7540	0.000	1	119.0817	32.544	6	118.7492	20.428	52
930	466	941	0:SP2_SP2_SP3	C	C[3x6]	N	4:3:2:	4:4:4:3:	4:3:	C[3x6]-4:N-3:N-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C[6]-4:C-3:	C(C[3x6]C[6,6]3)(NC[6]Ca)(NC[6])	C[3x6](C[6,6]C[3x6]HH)3(CNN)	N(C[6]C[6]2Ca)(CC[3x6]N)	C(C[3x6]C[6,6]3)(NC[6]Ca)(NC[6])	C[3x6](C[6,6]C[3x6]HH)3(CNN){3|C<4>,3|H<1>}	N(C[6]C[6]2Ca)(CC[3x6]N)	111.4880	0.000	1	111.4880	0.000	1	111.4880	0.000	1	111.4880	0.000	1	119.0817	32.544	6	118.7492	20.428	52
930	466	941	0:SP2_SP2_SP3	C	C[6]	N	3:4:2:	4:3:3:1:	3:3:	C[6a]-3:C[6]-4:N-2:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(NC[6a])	C[6](C[6]N[6]HO)(C[6]C[6]O)(CC[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2H)(NC[6a])	C[6](C[6]N[6]HO)(C[6]C[6]O)(CC[6a]N)(H){1|H<1>,2|C<3>}	N(C[6a]C[6a]2)(CC[6a]C[6])	127.6840	0.000	1	127.6840	0.000	1	127.6840	0.000	1	127.6840	0.000	1	118.7058	19.519	46	118.7492	20.428	52
930	466	941	0:SP2_SP2_SP3	C	C[6]	N	3:4:2:	4:4:3:1:	3:3:	C[6a]-3:C[6]-4:N-2:	C[6]-4:C[6]-4:C-3:H-1:	C-3:N-3:	C(C[6a]C[6a]2)(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HH)2(CC[6a]N)(H)	N(CC[6a]C[6])(NCH)	C(C[6a]C[6a]2)(C[6]C[6]2H)(NN)	C[6](C[6]C[6]HH)2(CC[6a]N)(H){1|C<4>,4|H<1>}	N(CC[6a]C[6])(NCH)	118.5990	0.000	1	118.5990	0.000	1	118.5990	0.000	1	118.5990	0.000	1	118.7058	19.519	46	118.7492	20.428	52
930	466	941	0:SP2_SP2_SP3	C	C[6]	N	3:4:2:	4:4:3:2:	3:2:	C[6a]-3:C[6]-4:N-2:	C[6]-4:C[6]-4:C-3:O-2:	C-3:O-2:	C(C[6a]C[6a]2)(C[6]C[6]2O)(NO)	C[6](C[6]C[6]HH)2(CC[6a]N)(OH)	N(CC[6a]C[6])(OH)	C(C[6a]C[6a]2)(C[6]C[6]2O)(NO)	C[6](C[6]C[6]HH)2(CC[6a]N)(OH){1|C<4>,4|H<1>}	N(CC[6a]C[6])(OH)	116.1640	1.003	2	116.1640	1.005	2	116.1640	1.005	2	116.1640	1.005	2	118.7058	19.519	46	118.7492	20.428	52
930	466	941	0:SP2_SP2_SP3	C	C[6]	N	4:2:1:	2:4:3:2:	4:3:	C[6]-4:N-2:O-1:	O[6]-2:C[6]-4:C-3:O-2:	C[6]-4:C-3:	C(C[6]C[6]O[6]O)(NC[6])(O)	C[6](O[6]C[6,6a])(C[6]O[6]CC)(CNO)(OH)	N(C[6]C[6]O[6]C)(CC[6]O)	C(C[6]C[6]O[6]O)(NC[6])(O)	C[6](O[6]C[6,6a])(C[6]O[6]CC)(CNO)(OH){2|C<3>}	N(C[6]C[6]O[6]C)(CC[6]O)	115.5380	0.000	1	115.5380	0.000	1	115.5380	0.000	1	115.5380	0.000	1	118.7058	19.519	46	118.7492	20.428	52
930	466	941	0:SP2_SP2_SP3	C	C[6]	N	4:2:1:	2:4:3:3:	3:3:	C[6]-4:N-2:O-1:	O[6]-2:C[6]-4:C-3:C-3:	C[6a]-3:C-3:	C(C[6]C[6]O[6]C)(NC[6a])(O)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CNO)2	N(C[6a]C[6a]2)(CC[6]O)	C(C[6]C[6]O[6]C)(NC[6a])(O)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CNO)2{2|C<3>,2|C<4>}	N(C[6a]C[6a]2)(CC[6]O)	114.3095	0.288	2	114.3095	0.083	2	114.3095	0.083	2	114.3095	0.083	2	118.7058	19.519	46	118.7492	20.428	52
930	466	941	0:SP2_SP2_SP3	C	C[6]	N	4:2:1:	3:4:3:1:	3:3:	C[6]-4:N-2:H-1:	C[6]-3:C[6]-4:C-3:H-1:	C-3:C-3:	C(C[6]C[6]2H)(NC)(H)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CHN)(H)	N(CC[6a]C)(CC[6]H)	C(C[6]C[6]2H)(NC)(H)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CHN)(H){2|C<3>,2|H<1>}	N(CC[6a]C)(CC[6]H)	124.9350	0.000	1	124.9350	0.000	1	124.9350	0.000	1	124.9350	0.000	1	118.7058	19.519	46	118.7492	20.428	52
930	466	941	0:SP2_SP2_SP3	C	C[6]	N	4:2:1:	3:4:3:1:	3:4:	C[6]-4:N-2:O-1:	C[6,6]-3:C[6]-4:C-3:H-1:	C-3:C-4:	C(C[6]C[6,6]C[6]H)(NC)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CNO)(H)	N(CC[6]O)(CCCH)	C(C[6]C[6,6]C[6]H)(NC)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CNO)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|N<2>}	N(CC[6]O)(CCCH)	110.6430	0.000	1	110.6430	0.000	1	110.6430	0.000	1	110.6430	0.000	1	118.7058	19.519	46	118.7492	20.428	52
930	466	941	0:SP2_SP2_SP3	C	C[6]	N	4:2:1:	4:2:3:1:	3:2:	C[6]-4:N-2:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C-3:N-2:	C(C[6]C[6]O[6]H)(NN)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHN)(H)	N(CC[6]H)(NS)	C(C[6]C[6]O[6]H)(NN)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHN)(H){1|C<4>,1|O<2>,3|H<1>}	N(CC[6]H)(NS)	121.0560	0.000	1	121.0560	0.000	1	121.0560	0.000	1	121.0560	0.000	1	118.7058	19.519	46	118.7492	20.428	52
930	466	941	0:SP2_SP2_SP3	C	C[6]	N	4:2:1:	4:2:4:3:	3:3:	C[6]-4:N-2:H-1:	C[6]-4:O[6]-2:C-4:C-3:	N-3:C-3:	C(C[6]C[6]O[6]C)(NN)(H)	C[6](C[6]O[6]HH)(O[6]C[6])(CCHH)(CHN)	N(NC[6a]H)(CC[6]H)	C(C[6]C[6]O[6]C)(NN)(H)	C[6](C[6]O[6]HH)(O[6]C[6])(CCHH)(CHN){1|O<2>,2|C<4>}	N(NC[6a]H)(CC[6]H)	120.5030	0.488	2	120.5030	0.238	2	120.5030	0.238	2	120.5030	0.238	2	118.7058	19.519	46	118.7492	20.428	52
930	466	941	0:SP2_SP2_SP3	C	C[6]	N	4:2:1:	4:3:2:3:	4:3:	C[6]-4:N-2:H-1:	C[6]-4:N[6]-3:S-2:C-3:	S-4:C-3:	C(C[6]C[6]N[6]S)(NS)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(SC[6a])(CHN)	N(SC[6a]OO)(CC[6]H)	C(C[6]C[6]N[6]S)(NS)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(SC[6a])(CHN){1|C<3>,3|H<1>}	N(SC[6a]OO)(CC[6]H)	119.9120	0.000	1	119.9120	0.000	1	119.9120	0.000	1	119.9120	0.000	1	118.7058	19.519	46	118.7492	20.428	52
930	466	941	0:SP2_SP2_SP3	C	C[6]	N	4:2:1:	4:3:3:1:	4:3:	C[6]-4:N-2:O-1:	C[6]-4:N[6]-3:C-3:H-1:	S-4:C-3:	C(C[6]C[6]N[6]H)(NS)(O)	C[6](C[6]C[6]HW)(N[6]C[6]C)(CNO)(H)	N(SC[6a]OO)(CC[6]O)	C(C[6]C[6]N[6]H)(NS)(O)	C[6](C[6]C[6]HW)(N[6]C[6]C)(CNO)(H){1|C<3>,2|H<1>}	N(SC[6a]OO)(CC[6]O)	111.3960	0.000	1	111.3960	0.000	1	111.3960	0.000	1	111.3960	0.000	1	118.7058	19.519	46	118.7492	20.428	52
930	466	941	0:SP2_SP2_SP3	C	C[6]	N	4:2:1:	4:4:3:1:	3:1:	C[6]-4:N-2:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:H-1:	C(C[6]C[6]2H)(NH)(O)	C[6](C[6]C[6]HH)2(CNO)(H)	N(CC[6]O)(H)	C(C[6]C[6]2H)(NH)(O)	C[6](C[6]C[6]HH)2(CNO)(H){1|N<4>,4|H<1>}	N(CC[6]O)(H)	116.3430	0.000	1	116.3430	0.000	1	116.3430	0.000	1	116.3430	0.000	1	118.7058	19.519	46	118.7492	20.428	52
930	466	941	0:SP2_SP2_SP3	C	C[6]	N	4:2:1:	4:4:3:1:	3:2:	C[6]-4:N-2:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:N-2:	C(C[6]C[6]2H)(NN)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(H)	N(CC[6]O)(NC)	C(C[6]C[6]2H)(NN)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(H){1|C<4>,4|H<1>}	N(CC[6]O)(NC)	114.0850	0.000	1	114.0850	0.000	1	114.0850	0.000	1	114.0850	0.000	1	118.7058	19.519	46	118.7492	20.428	52
930	466	941	0:SP2_SP2_SP3	C	C[6]	N	4:2:1:	4:4:3:1:	3:3:	C[6]-4:N-2:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	N-3:C-3:	C(C[6]C[5,6]C[6]H)(NN)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHN)(H)	N(NC[6a]H)(CC[6]H)	C(C[6]C[5,6]C[6]H)(NN)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHN)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N(NC[6a]H)(CC[6]H)	121.0310	0.000	1	121.0310	0.000	1	121.0310	0.000	1	120.4447	2.036	3	118.7058	19.519	46	118.7492	20.428	52
930	466	941	0:SP2_SP2_SP3	C	C[6]	N	4:2:1:	4:4:3:1:	3:3:	C[6]-4:N-2:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:N-3:	C(C[6]C[6,6]C[6]H)(NN)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(CHN)(H)	N(CC[6]H)(NHS)	C(C[6]C[6,6]C[6]H)(NN)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(CHN)(H){1|O<2>,2|H<1>,4|C<3>}	N(CC[6]H)(NHS)	121.4850	0.000	1	121.4850	0.000	1	121.4850	0.000	1	120.4447	2.036	3	118.7058	19.519	46	118.7492	20.428	52
930	466	941	0:SP2_SP2_SP3	C	C[6]	N	4:2:1:	4:4:3:1:	3:3:	C[6]-4:N-2:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	N-3:C-3:	C(C[6]C[6,6]C[6]H)(NN)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHN)(H)	N(NC[6a]H)(CC[6]H)	C(C[6]C[6,6]C[6]H)(NN)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHN)(H){1|C<3>,1|H<1>,5|C<4>}	N(NC[6a]H)(CC[6]H)	118.8180	0.000	1	118.8180	0.000	1	118.8180	0.000	1	120.4447	2.036	3	118.7058	19.519	46	118.7492	20.428	52
930	466	941	0:SP2_SP2_SP3	C	C[6]	N	4:2:1:	4:4:3:3:	3:3:	C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6a]-3:C-3:	C(C[6]C[6]2C)(NC[6a])(H)	C[6](C[6]C[6]HH)2(CCN)(CHN)	N(C[6a]C[6a]2)(CC[6]H)	C(C[6]C[6]2C)(NC[6a])(H)	C[6](C[6]C[6]HH)2(CCN)(CHN){1|C<4>,4|H<1>}	N(C[6a]C[6a]2)(CC[6]H)	123.6140	0.000	1	123.6140	0.000	1	123.7540	0.022	3	123.7540	0.022	3	118.7058	19.519	46	118.7492	20.428	52
930	466	941	0:SP2_SP2_SP3	C	C[6]	N	4:2:1:	4:4:3:3:	3:3:	C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C[6a]-3:C-3:	C(C[6]C[6]2C)(NC[6a])(H)	C[6](C[6]C[6]HH)2(CHN)2	N(C[6a]C[6a]2)(CC[6]H)	C(C[6]C[6]2C)(NC[6a])(H)	C[6](C[6]C[6]HH)2(CHN)2{1|C<4>,4|H<1>}	N(C[6a]C[6a]2)(CC[6]H)	123.8240	0.119	2	123.8240	0.014	2	123.7540	0.022	3	123.7540	0.022	3	118.7058	19.519	46	118.7492	20.428	52
930	466	941	0:SP2_SP2_SP3	C	C[6]	N	4:2:1:	4:4:3:3:	4:3:	C[6]-4:N-2:O-1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:C-3:	C(C[6]C[6]2N)(NC[6])(O)	C[6](C[6]O[6]HH)2(CNO)(NCH)	N(C[6]C[6]2C)(CC[6]O)	C(C[6]C[6]2N)(NC[6])(O)	C[6](C[6]O[6]HH)2(CNO)(NCH){1|C<4>}	N(C[6]C[6]2C)(CC[6]O)	116.1130	0.000	1	116.1130	0.000	1	116.1130	0.000	1	116.1130	0.000	1	118.7058	19.519	46	118.7492	20.428	52
930	466	941	0:SP2_SP2_SP3	C	C[6]	N	4:2:1:	4:4:4:3:	3:1:	C[6]-4:N-2:O-1:	C[6]-4:C[6]-4:N-4:C-3:	C-3:H-1:	C(C[6]C[6]2N)(NH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(CNO)	N(CC[6]O)(H)	C(C[6]C[6]2N)(NH)(O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NH3)(CNO){1|C<4>,4|H<1>}	N(CC[6]O)(H)	116.5350	0.000	1	116.5350	0.000	1	116.5350	0.000	1	116.5350	0.000	1	118.7058	19.519	46	118.7492	20.428	52
930	466	941	0:SP2_SP2_SP3	C	C[6]	N	4:2:1:	4:4:4:3:	3:2:	C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:P-4:C-3:	C-3:N-2:	C(C[6]C[6]2P)(NN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PO3)(CHN)	N(CC[6]H)(NS)	C(C[6]C[6]2P)(NN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PO3)(CHN){1|C<3>,3|H<1>}	N(CC[6]H)(NS)	122.6700	0.000	1	122.6700	0.000	1	122.6700	0.000	1	122.6700	0.000	1	118.7058	19.519	46	118.7492	20.428	52
930	466	941	0:SP2_SP2_SP3	C	C[6]	N	4:2:1:	4:4:4:3:	3:3:	C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:P-4:C-3:	C-3:N-3:	C(C[6]C[6]2P)(NN)(H)	C[6](C[6]C[6]CH)2(PO3)(CHN)	N(CC[6]H)(NHS)	C(C[6]C[6]2P)(NN)(H)	C[6](C[6]C[6]CH)2(PO3)(CHN){1|C<3>,3|H<1>}	N(CC[6]H)(NHS)	118.3100	0.000	1	118.3100	0.000	1	118.3100	0.000	1	118.3100	0.000	1	118.7058	19.519	46	118.7492	20.428	52
930	466	941	0:SP2_SP2_SP3	C	C[6]	N	4:2:1:	4:4:4:3:	3:4:	C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C-3:C-4:	C(C[6]C[6]2C)(NC)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCHH)(CHN)	N(CC[6]H)(CCHH)	C(C[6]C[6]2C)(NC)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCHH)(CHN){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	N(CC[6]H)(CCHH)	124.2980	2.083	2	124.2980	4.339	2	124.2980	4.339	2	124.2980	4.339	2	118.7058	19.519	46	118.7492	20.428	52
930	466	941	0:SP2_SP2_SP3	C	C[6]	N	4:2:2:	3:3:4:3:	3:3:	C[6]-4:N-2:S-2:	N[6]-3:C[6]-3:C-4:C-3:	C[6a]-3:C-3:	C(C[6]C[6]N[6]C)(NC[6a])(SC[6])	C[6](N[6]C[6,6]H)(C[6]N[6]O)(CH3)(CNS)	N(C[6a]C[6a]2)(CC[6]S)	C(C[6]C[6]N[6]C)(NC[6a])(SC[6])	C[6](N[6]C[6,6]H)(C[6]N[6]O)(CH3)(CNS){2|C<4>,2|H<1>}	N(C[6a]C[6a]2)(CC[6]S)	119.9350	0.000	1	119.9350	0.000	1	119.9350	0.000	1	119.9350	0.000	1	118.7058	19.519	46	118.7492	20.428	52
930	466	941	0:SP2_SP2_SP3	C	C[6]	N	4:2:4:	4:3:3:1:	3:3:	C[6]-4:N-2:C-4:	C[6]-4:C[6]-3:C-3:H-1:	C[6a]-3:C-3:	C(C[6]C[6]2H)(NC[6a])(CH3)	C[6](C[6]C[6a]O[6]H)(C[6]N[6]C)(CCN)(H)	N(C[6a]C[6a]2)(CC[6]C)	C(C[6]C[6]2H)(NC[6a])(CH3)	C[6](C[6]C[6a]O[6]H)(C[6]N[6]C)(CCN)(H){1|Ge<2>,3|C<3>}	N(C[6a]C[6a]2)(CC[6]C)	117.3570	0.000	1	117.3570	0.000	1	117.3570	0.000	1	117.3570	0.000	1	118.7058	19.519	46	118.7492	20.428	52
930	466	941	0:SP2_SP2_SP3	C	C[6]	N	4:3:2:	3:3:3:1:	3:1:	C[6]-4:C-3:N-2:	C[6,6a]-3:N[6]-3:C-3:H-1:	C-3:N-1:	C(C[6]C[6,6a]N[6]H)(COO)(NN)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCN)(H)	N(CC[6]C)(N)	C(C[6]C[6,6a]N[6]H)(COO)(NN)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCN)(H){2|H<1>,3|C<3>}	N(CC[6]C)(N)	114.5210	0.000	1	114.5210	0.000	1	114.5210	0.000	1	114.5210	0.000	1	118.7058	19.519	46	118.7492	20.428	52
930	466	941	0:SP2_SP2_SP3	C	C[6]	N	4:3:2:	4:3:3:2:	3:1:	C[6]-4:C-3:N-2:	C[6]-4:N[6]-3:C-3:O-2:	C-3:N-1:	C(C[6]C[6]N[6]O)(COO)(NN)	C[6](C[6]C[6]HH)(N[6]N[6]C)(CCN)(OSi)	N(CC[6]C)(N)	C(C[6]C[6]N[6]O)(COO)(NN)	C[6](C[6]C[6]HH)(N[6]N[6]C)(CCN)(OSi){1|C<3>,2|H<1>}	N(CC[6]C)(N)	117.1935	0.243	2	117.1935	0.059	2	117.1935	0.059	2	117.1935	0.059	2	118.7058	19.519	46	118.7492	20.428	52
930	466	941	0:SP2_SP2_SP3	C	C[6]	N	4:4:2:	3:3:3:1:	3:1:	C[6]-4:P-4:N-2:	C[6,6a]-3:N[6]-3:C-3:H-1:	C-3:N-1:	C(C[6]C[6,6a]N[6]H)(PO3)(NN)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CNP)(H)	N(CC[6]P)(N)	C(C[6]C[6,6a]N[6]H)(PO3)(NN)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CNP)(H){2|H<1>,3|C<3>}	N(CC[6]P)(N)	118.2710	0.000	1	118.2710	0.000	1	118.2710	0.000	1	118.2710	0.000	1	118.7058	19.519	46	118.7492	20.428	52
930	466	941	0:SP2_SP2_SP3	C	C[6]	N	4:4:2:	3:3:3:3:	3:2:	C[6]-4:C-4:N-2:	C[6]-3:C[6]-3:C-3:N-3:	C-3:O-2:	C(C[6]C[6]2N)(CH3)(NO)	C[6](C[6]N[6]O)2(CCN)(NHO)	N(CC[6]C)(OC)	C(C[6]C[6]2N)(CH3)(NO)	C[6](C[6]N[6]O)2(CCN)(NHO){1|C<3>,2|C<4>}	N(CC[6]C)(OC)	113.1035	0.624	2	113.1035	0.390	2	113.2003	0.223	3	113.2003	0.223	3	118.7058	19.519	46	118.7492	20.428	52
930	466	941	0:SP2_SP2_SP3	C	C[6]	N	4:4:2:	3:3:3:3:	3:2:	C[6]-4:C-4:N-2:	C[6]-3:C[6]-3:C-3:N-3:	C-3:O-2:	C(C[6]C[6]2N)(CH3)(NO)	C[6](C[6]O[6]O)2(CCN)(NHO)	N(CC[6]C)(OC)	C(C[6]C[6]2N)(CH3)(NO)	C[6](C[6]O[6]O)2(CCN)(NHO){1|C<4>}	N(CC[6]C)(OC)	113.3940	0.000	1	113.3940	0.000	1	113.2003	0.223	3	113.2003	0.223	3	118.7058	19.519	46	118.7492	20.428	52
930	466	941	0:SP2_SP2_SP3	C	C[6]	N	4:4:2:	3:3:4:3:	3:2:	C[6]-4:C-4:N-2:	N[6]-3:N[6]-3:C-4:C-3:	C-3:O-2:	C(C[6]N[6]2C)(CH3)(NO)	C[6](N[6]C[6]H)2(CH3)(CCN)	N(CC[6]C)(OH)	C(C[6]N[6]2C)(CH3)(NO)	C[6](N[6]C[6]H)2(CH3)(CCN){1|C<4>,4|H<1>}	N(CC[6]C)(OH)	114.6510	0.000	1	114.6510	0.000	1	114.6510	0.000	1	114.6510	0.000	1	118.7058	19.519	46	118.7492	20.428	52
930	466	941	0:SP2_SP2_SP3	C	C[6]	N	4:4:2:	4:4:3:1:	3:2:	C[6]-4:C-4:N-2:	C[6]-4:C[6]-4:C-3:H-1:	C-3:N-2:	C(C[6]C[6]2H)(CH3)(NN)	C[6](C[6]C[6]HH)2(CCN)(H)	N(CC[6]C)(NC[5a])	C(C[6]C[6]2H)(CH3)(NN)	C[6](C[6]C[6]HH)2(CCN)(H){1|C<3>,3|H<1>}	N(CC[6]C)(NC[5a])	117.4690	0.000	1	117.4690	0.000	1	117.4690	0.000	1	117.4690	0.000	1	118.7058	19.519	46	118.7492	20.428	52
930	466	941	0:SP2_SP2_SP3	C	C[6]	N	4:4:2:	4:4:3:1:	3:3:	C[6]-4:C-4:N-2:	C[5,6]-4:C[6]-4:C-3:H-1:	C-3:N-3:	C(C[6]C[5,6]C[6]H)(CH3)(NN)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CCN)(H)	N(CC[6]C)(NHS)	C(C[6]C[5,6]C[6]H)(CH3)(NN)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CCN)(H){1|C<3>,2|C<4>,4|H<1>}	N(CC[6]C)(NHS)	115.0960	0.000	1	115.0960	0.000	1	115.0960	0.000	1	122.7564	32.155	5	118.7058	19.519	46	118.7492	20.428	52
930	466	941	0:SP2_SP2_SP3	C	C[6]	N	4:4:2:	4:4:3:1:	3:3:	C[6]-4:C-4:N-2:	C[6]-4:C[6]-4:C-3:H-1:	C-3:N-3:	C(C[6]C[6]2H)(CCCH)(NN)	C[6](C[6]C[6]HH)2(CCN)(H)	N(CC[6]C)(NCC)	C(C[6]C[6]2H)(CCCH)(NN)	C[6](C[6]C[6]HH)2(CCN)(H){1|C<4>,4|H<1>}	N(CC[6]C)(NCC)	125.9500	0.000	2	125.9500	0.000	2	123.4523	18.715	3	122.7564	32.155	5	118.7058	19.519	46	118.7492	20.428	52
930	466	941	0:SP2_SP2_SP3	C	C[6]	N	4:4:2:	4:4:3:1:	3:3:	C[6]-4:C-4:N-2:	C[6]-4:C[6]-4:C-3:H-1:	C-3:N-3:	C(C[6]C[6]2H)(CH3)(NN)	C[6](C[6]C[6]HH)2(CCN)(H)	N(CC[6]C)(NCH)	C(C[6]C[6]2H)(CH3)(NN)	C[6](C[6]C[6]HH)2(CCN)(H){1|C<4>,4|H<1>}	N(CC[6]C)(NCH)	118.4570	0.000	1	118.4570	0.000	1	123.4523	18.715	3	122.7564	32.155	5	118.7058	19.519	46	118.7492	20.428	52
930	466	941	0:SP2_SP2_SP3	C	C[6]	N	4:4:2:	4:4:3:1:	3:3:	C[6]-4:C-4:N-2:	C[6]-4:C[6]-4:C-3:H-1:	C[6a]-3:C-3:	C(C[6]C[6]2H)(CC[6a]2C)(NC[6a])	C[6](C[6]C[6]HH)2(CCN)(H)	N(C[6a]C[6a]2)(CC[6]C)	C(C[6]C[6]2H)(CC[6a]2C)(NC[6a])	C[6](C[6]C[6]HH)2(CCN)(H){1|C<4>,4|H<1>}	N(C[6a]C[6a]2)(CC[6]C)	128.3290	0.000	1	128.3290	0.000	1	128.3290	0.000	1	122.7564	32.155	5	118.7058	19.519	46	118.7492	20.428	52
930	466	941	0:SP2_SP2_SP3	C	C[6]	N	4:4:2:	4:4:3:3:	3:3:	C[6]-4:C-4:N-2:	C[6,6]-4:C[6]-4:C-3:C-3:	N-3:C-3:	C(C[6]C[6,6]C[6]C)(CCHH)(NN)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CCN)(COO)	N(NC[6a]H)(CC[6]C)	C(C[6]C[6,6]C[6]C)(CCHH)(NN)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(CCN)(COO){1|C<4>,2|H<1>,3|C<3>}	N(NC[6a]H)(CC[6]C)	116.5170	0.000	1	116.5170	0.000	1	116.5170	0.000	1	116.5170	0.000	1	118.7058	19.519	46	118.7492	20.428	52
930	466	941	0:SP2_SP2_SP3	C	C[6]	N	4:4:2:	4:4:3:3:	3:4:	C[6]-4:C-4:N-2:	C[6]-4:C[6]-4:C-3:C-3:	C-3:C-4:	C(C[6]C[6]2C)(CC[6a]2H)(NC)	C[6](C[6]C[6]HH)2(CCN)(CHN)	N(CC[6]C)(CCCH)	C(C[6]C[6]2C)(CC[6a]2H)(NC)	C[6](C[6]C[6]HH)2(CCN)(CHN){1|C<4>,4|H<1>}	N(CC[6]C)(CCCH)	117.0110	0.000	1	117.0110	0.000	1	117.0110	0.000	1	117.0110	0.000	1	118.7058	19.519	46	118.7492	20.428	52
930	466	945	0:SP2_SP3_SP3	C	C[3x6]	P	4:3:1:	4:4:4:3:	3:3:4:	C[3x6]-4:P-3:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C-3:C-3:C-4:	C(C[3x6]C[6,6]3)(PCC)(O)	C[3x6](C[6,6]C[3x6]HH)3(COP)	P(CC[3x6]O)(CC[6a]O)(CC3)	C(C[3x6]C[6,6]3)(PCC)(O)	C[3x6](C[6,6]C[3x6]HH)3(COP){3|C<4>,3|H<1>}	P(CC[3x6]O)(CC[6a]O)(CC3)	116.2700	0.000	1	116.2700	0.000	1	116.2700	0.000	1	116.2700	0.000	1	116.2700	0.000	1	116.2700	0.000	1
930	466	951	0:SP2_SP-NON_SP3	C	C[3x6]	H	3:4:1:	4:4:4:3:	3:	C[4]-3:C[3x6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C-3:	C(C[4]C[4,6a]P[4])(C[3x6]C[6,6]3)(H)	C[3x6](C[6,6]C[3x6]HH)3(CC[4]H)	H(CC[3x6]C[4])	C(C[4]C[4,6a]P[4])(C[3x6]C[6,6]3)(H)	C[3x6](C[6,6]C[3x6]HH)3(CC[4]H){3|C<4>,3|H<1>}	H(CC[3x6]C[4])	115.0225	0.551	2	115.0225	0.303	2	115.0225	0.303	2	115.0225	0.303	2	116.7509	2.266	16	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[3x6]	H	4:1:1:	3:3:3:3:	3:	C[3x6]-4:H-1:O-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-3:	C-3:	C(C[3x6]C[6,6,6a]3)(H)(O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CHO)	H(CC[3x6]O)	C(C[3x6]C[6,6,6a]3)(H)(O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CHO){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	H(CC[3x6]O)	116.5157	1.486	8	116.5157	2.208	8	116.5157	2.208	8	116.4966	1.935	9	116.7509	2.266	16	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[3x6]	H	4:1:1:	3:3:3:3:	3:	C[3x6]-4:H-1:O-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:C-3:	C-3:	C(C[3x6]C[6,6,6a]2C[6,6])(H)(O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(CHO)	H(CC[3x6]O)	C(C[3x6]C[6,6,6a]2C[6,6])(H)(O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(CHO){1|C<4>,2|H<1>,5|C<3>}	H(CC[3x6]O)	116.3430	0.000	1	116.3430	0.000	1	116.3430	0.000	1	116.4966	1.935	9	116.7509	2.266	16	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[3x6]	H	4:1:1:	4:4:4:3:	3:	C[3x6]-4:H-1:O-1:	C[4x6]-4:C[3x6]-4:C[6,6]-4:C-3:	C-3:	C(C[3x6]C[3x6]C[4x6]C[6,6])(H)(O)	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[6,6]C[6,6]C[6]H)(CHO)	H(CC[3x6]O)	C(C[3x6]C[3x6]C[4x6]C[6,6])(H)(O)	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(C[6,6]C[6,6]C[6]H)(CHO){5|C<4>,9|H<1>}	H(CC[3x6]O)	118.1510	0.000	1	118.1510	0.000	1	118.1510	0.000	1	118.1510	0.000	1	116.7509	2.266	16	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[3x6]	H	4:2:1:	4:4:3:1:	3:	C[3x6]-4:N-2:H-1:	C[4x6]-4:C[4x6]-4:C-3:H-1:	C-3:	C(C[3x6]C[4x6]2H)(NN)(H)	C[3x6](C[4x6]C[4x6]C[6,6]H)2(CHN)(H)	H(CC[3x6]N)	C(C[3x6]C[4x6]2H)(NN)(H)	C[3x6](C[4x6]C[4x6]C[6,6]H)2(CHN)(H){1|C<3>,2|C<4>,5|H<1>}	H(CC[3x6]N)	119.5340	0.000	1	119.5340	0.000	1	119.5340	0.000	1	119.5340	0.000	1	116.7509	2.266	16	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[3x6]	H	4:3:1:	4:3:3:3:	3:	C[3x6]-4:C-3:H-1:	C[5,3x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:C-3:	C-3:	C(C[3x6]C[6,6,6a]2C[5,3x6])(CHH)(H)	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(CCH)	H(CC[3x6]C)	C(C[3x6]C[6,6,6a]2C[5,3x6])(CHH)(H)	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(CCH){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|H<1>,6|C<3>}	H(CC[3x6]C)	118.1360	0.000	1	118.1360	0.000	1	118.1360	0.000	1	118.1360	0.000	1	116.7509	2.266	16	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[3x6]	H	4:3:1:	4:4:3:3:	3:	C[3x6]-4:C-3:H-1:	C[3x6]-4:C[4x6]-4:C[6,6]-3:C-3:	C-3:	C(C[3x6]C[3x6]C[4x6]C[6,6])(CHH)(H)	C[3x6](C[3x6]C[3x6]O[6,6]H)(C[4x6]C[4x6]O[6,6]H)(C[6,6]C[6,6]C[6])(CCH)	H(CC[3x6]C)	C(C[3x6]C[3x6]C[4x6]C[6,6])(CHH)(H)	C[3x6](C[3x6]C[3x6]O[6,6]H)(C[4x6]C[4x6]O[6,6]H)(C[6,6]C[6,6]C[6])(CCH){3|C<3>,3|C<4>,3|H<1>}	H(CC[3x6]C)	116.8190	0.000	1	116.8190	0.000	1	116.8190	0.000	1	116.8190	0.000	1	116.7509	2.266	16	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[3x6]	H	4:3:1:	4:4:4:3:	3:	C[3x6]-4:C[3]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:C-3:	C-3:	C(C[3x6]C[6,6]3)(C[3]C[3]O[3])(H)	C[3x6](C[6,6]C[3x6]HH)3(CC[3]H)	H(CC[3x6]C[3])	C(C[3x6]C[6,6]3)(C[3]C[3]O[3])(H)	C[3x6](C[6,6]C[3x6]HH)3(CC[3]H){3|C<4>,3|H<1>}	H(CC[3x6]C[3])	116.8610	0.000	1	116.8610	0.000	1	116.8610	0.000	1	116.8610	0.000	1	116.7509	2.266	16	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6,6]	H	4:1:1:	4:3:4:3:	3:	C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-3:C[6]-4:C-3:	C-3:	C(C[6,6]C[6,6]2C[6])(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHH)	H(CC[6,6]H)	C(C[6,6]C[6,6]2C[6])(H)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(CHH){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	H(CC[6,6]H)	106.1095	2.836	2	106.1095	8.044	2	106.1095	8.044	2	106.1095	8.044	2	116.0005	13.900	136	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6,6]	H	4:1:1:	4:4:3:1:	3:	C[6,6]-4:H-1:O-1:	C[3x6]-4:C[3x6]-4:C-3:H-1:	C-3:	C(C[6,6]C[3x6]2H)(H)(O)	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(CHO)(H)	H(CC[6,6]O)	C(C[6,6]C[3x6]2H)(H)(O)	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(CHO)(H){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	H(CC[6,6]O)	118.2260	0.000	1	117.6840	0.588	2	117.6840	0.588	2	117.2954	3.275	7	116.0005	13.900	136	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6,6]	H	4:1:1:	4:4:3:1:	3:	C[6,6]-4:H-1:O-1:	C[3x6]-4:C[3x6]-4:C-3:H-1:	C-3:	C(C[6,6]C[3x6]2H)(H)(O)	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(CHO)(H)	H(CC[6,6]O)	C(C[6,6]C[3x6]2H)(H)(O)	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(CHO)(H){2|C<3>,2|C<4>,4|H<1>}	H(CC[6,6]O)	117.1420	0.000	1	117.6840	0.588	2	117.6840	0.588	2	117.2954	3.275	7	116.0005	13.900	136	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6,6]	H	4:1:1:	4:4:3:1:	3:	C[6,6]-4:H-1:O-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C-3:	C(C[6,6]C[3x6]C[6,6]H)(H)(O)	C[6,6](C[3x6]C[3,6,6]N[5,6,6]H)(C[6,6]C[3x6]C[5]H)(CHO)(H)	H(CC[6,6]O)	C(C[6,6]C[3x6]C[6,6]H)(H)(O)	C[6,6](C[3x6]C[3,6,6]N[5,6,6]H)(C[6,6]C[3x6]C[5]H)(CHO)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(CC[6,6]O)	119.0090	0.000	1	119.0090	0.000	1	117.1423	9.040	3	117.2954	3.275	7	116.0005	13.900	136	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6,6]	H	4:1:1:	4:4:3:1:	3:	C[6,6]-4:H-1:O-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C-3:	C(C[6,6]C[3x6]C[6,6]H)(H)(O)	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]C[5]H)(CHO)(H)	H(CC[6,6]O)	C(C[6,6]C[3x6]C[6,6]H)(H)(O)	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]C[5]H)(CHO)(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(CC[6,6]O)	116.2090	3.585	2	116.2090	12.852	2	117.1423	9.040	3	117.2954	3.275	7	116.0005	13.900	136	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6,6]	H	4:1:1:	4:4:3:1:	3:	C[6,6]-4:H-1:O-1:	C[6,6]-4:C[3x6]-4:C-3:H-1:	C-3:	C(C[6,6]C[3x6]C[6,6]H)(H)(O)	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2C)(CHO)(H)	H(CC[6,6]O)	C(C[6,6]C[3x6]C[6,6]H)(H)(O)	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2C)(CHO)(H){1|C<4>,3|C<3>,4|H<1>}	H(CC[6,6]O)	116.6080	0.000	1	116.6080	0.000	1	117.1365	0.559	2	117.2954	3.275	7	116.0005	13.900	136	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6,6]	H	4:1:1:	4:4:3:1:	3:	C[6,6]-4:H-1:O-1:	C[6,6]-4:C[3x6]-4:C-3:H-1:	C-3:	C(C[6,6]C[3x6]C[6,6]H)(H)(O)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2C)(CHO)(H)	H(CC[6,6]O)	C(C[6,6]C[3x6]C[6,6]H)(H)(O)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2C)(CHO)(H){1|C<4>,3|C<3>,5|H<1>}	H(CC[6,6]O)	117.6650	0.000	1	117.6650	0.000	1	117.1365	0.559	2	117.2954	3.275	7	116.0005	13.900	136	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6,6]	H	4:1:1:	4:4:3:3:	3:	C[6,6]-4:H-1:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-3:	C-3:	C(C[6,6]C[6,6]2C[6])(H)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CHO)	H(CC[6,6]O)	C(C[6,6]C[6,6]2C[6])(H)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CHO){1|C<3>,3|C<4>,8|H<1>}	H(CC[6,6]O)	116.6300	0.000	1	116.3885	0.369	4	116.3885	0.369	4	115.8807	0.840	6	116.0005	13.900	136	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6,6]	H	4:1:1:	4:4:3:3:	3:	C[6,6]-4:H-1:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-3:	C-3:	C(C[6,6]C[6,6]2C[6])(H)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CHO)	H(CC[6,6]O)	C(C[6,6]C[6,6]2C[6])(H)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CHO){2|C<3>,4|C<4>,6|H<1>}	H(CC[6,6]O)	115.4810	0.000	1	116.3885	0.369	4	116.3885	0.369	4	115.8807	0.840	6	116.0005	13.900	136	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6,6]	H	4:1:1:	4:4:3:3:	3:	C[6,6]-4:H-1:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:C-3:	C-3:	C(C[6,6]C[6,6]2C[6])(H)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CHO)	H(CC[6,6]O)	C(C[6,6]C[6,6]2C[6])(H)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]O)(CHO){3|C<3>,3|C<4>,5|H<1>}	H(CC[6,6]O)	116.7215	0.054	2	116.3885	0.369	4	116.3885	0.369	4	115.8807	0.840	6	116.0005	13.900	136	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6,6]	H	4:1:1:	4:4:3:3:	3:	C[6,6]-4:H-1:O-1:	C[6,6]-4:C[6]-4:C[6]-3:C-3:	C-3:	C(C[6,6]C[6,6]C[6]2)(H)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(CHO)	H(CC[6,6]O)	C(C[6,6]C[6,6]C[6]2)(H)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)(CHO){1|C<3>,3|C<4>,6|H<1>}	H(CC[6,6]O)	114.8650	0.000	2	114.8650	0.000	2	114.8650	0.000	2	115.8807	0.840	6	116.0005	13.900	136	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6,6]	H	4:1:1:	4:4:4:3:	3:	C[6,6]-4:H-1:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6,6]C[6,6]2C[6])(H)2	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(CHH)	H(CC[6,6]H)	C(C[6,6]C[6,6]2C[6])(H)2	C[6,6](C[6,6]C[6,6]C[6]H)2(C[6]C[6]HH)(CHH){1|C<3>,5|C<4>,6|H<1>}	H(CC[6,6]H)	107.8230	1.500	2	107.8230	2.251	2	107.8230	2.251	2	114.8662	19.217	13	116.0005	13.900	136	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6,6]	H	4:1:1:	4:4:4:3:	3:	C[6,6]-4:H-1:O-1:	C[4x6]-4:C[5,6,6]-4:C-4:C-3:	C-3:	C(C[6,6]C[5,6,6]C[4x6]C)(H)(O)	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[5,6,6]C[5,3x6]C[5]H)(CH3)(CHO)	H(CC[6,6]O)	C(C[6,6]C[5,6,6]C[4x6]C)(H)(O)	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[5,6,6]C[5,3x6]C[5]H)(CH3)(CHO){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(CC[6,6]O)	118.6780	0.701	2	118.6780	0.492	2	118.6780	0.492	2	114.8662	19.217	13	116.0005	13.900	136	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6,6]	H	4:1:1:	4:4:4:3:	3:	C[6,6]-4:H-1:O-1:	C[5,6,6]-4:C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)(O)	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CHO)	H(CC[6,6]O)	C(C[6,6]C[5,6,6]C[6,6]C[6])(H)(O)	C[6,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CHO){1|C<3>,1|O<2>,5|C<4>,7|H<1>}	H(CC[6,6]O)	118.1305	0.028	2	118.1305	0.001	2	118.1305	0.001	2	114.8662	19.217	13	116.0005	13.900	136	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6,6]	H	4:1:1:	4:4:4:3:	3:	C[6,6]-4:H-1:O-1:	C[5,6]-4:C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6,6]C[5,6]C[6,6]C[6])(H)(O)	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CHO)	H(CC[6,6]O)	C(C[6,6]C[5,6]C[6,6]C[6])(H)(O)	C[6,6](C[5,6]O[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]HH)(CHO){1|S<2>,3|C<4>,7|H<1>}	H(CC[6,6]O)	113.7760	0.000	1	113.7760	0.000	1	113.7760	0.000	1	114.8662	19.217	13	116.0005	13.900	136	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6,6]	H	4:1:1:	4:4:4:3:	3:	C[6,6]-4:H-1:O-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6,6]C[6,6]2C[6])(H)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6,6]HH)(CHO)	H(CC[6,6]O)	C(C[6,6]C[6,6]2C[6])(H)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(C[6]C[6,6]HH)(CHO){1|O<2>,4|C<4>,8|H<1>}	H(CC[6,6]O)	117.6180	0.000	1	117.6180	0.000	1	117.8840	0.056	3	114.8662	19.217	13	116.0005	13.900	136	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6,6]	H	4:1:1:	4:4:4:3:	3:	C[6,6]-4:H-1:O-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6,6]C[6,6]2C[6])(H)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CHO)	H(CC[6,6]O)	C(C[6,6]C[6,6]2C[6])(H)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HH)(CHO){1|O<2>,4|C<4>,8|H<1>}	H(CC[6,6]O)	118.0700	0.000	1	118.0700	0.000	1	117.8840	0.056	3	114.8662	19.217	13	116.0005	13.900	136	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6,6]	H	4:1:1:	4:4:4:3:	3:	C[6,6]-4:H-1:O-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6,6]C[6,6]2C[6])(H)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CHO)	H(CC[6,6]O)	C(C[6,6]C[6,6]2C[6])(H)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O)(C[6]C[6]HO)(CHO){4|C<4>,9|H<1>}	H(CC[6,6]O)	117.9640	0.000	1	117.9640	0.000	1	117.8840	0.056	3	114.8662	19.217	13	116.0005	13.900	136	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6,6]	H	4:1:1:	4:4:4:3:	3:	C[6,6]-4:H-1:O-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C-3:	C(C[6,6]C[6,6]C[6]2)(H)(O)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(CHO)	H(CC[6,6]O)	C(C[6,6]C[6,6]C[6]2)(H)(O)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)2(CHO){1|C<3>,2|C<4>,6|H<1>}	H(CC[6,6]O)	110.0230	0.000	2	110.0230	0.000	2	110.0230	0.000	2	114.8662	19.217	13	116.0005	13.900	136	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6,6]	H	4:1:1:	4:4:4:3:	3:	C[6,6]-4:H-1:O-1:	C[6]-4:C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6,6]C[6,6]C[6]2)(H)(O)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2C)(C[6]C[6]CC)(CHO)	H(CC[6,6]O)	C(C[6,6]C[6,6]C[6]2)(H)(O)	C[6,6](C[6]C[6,6a]HO)(C[6,6]C[6]2C)(C[6]C[6]CC)(CHO){1|C<4>,2|C<3>,6|H<1>}	H(CC[6,6]O)	116.5230	0.000	1	116.5230	0.000	1	116.5230	0.000	1	114.8662	19.217	13	116.0005	13.900	136	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6,6]	H	4:2:1:	4:4:3:1:	3:	C[6,6]-4:C-2:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C-3:	C(C[6,6]C[3x6]C[6,6]H)(CH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H)	H(CC[6,6]C)	C(C[6,6]C[3x6]C[6,6]H)(CH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H){2|C<4>,5|H<1>}	H(CC[6,6]C)	85.6753	0.000	1	85.6753	0.000	1	85.6753	0.000	1	85.6753	0.000	1	116.0005	13.900	136	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6,6]	H	4:2:1:	4:4:4:3:	3:	C[6,6]-4:C-2:H-1:	C[3x6]-4:C[6,6]-4:C-4:C-3:	C-3:	C(C[6,6]C[3x6]C[6,6]C)(CC[6])(H)	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]HH)(CH3)(CCH)	H(CC[6,6]C)	C(C[6,6]C[3x6]C[6,6]C)(CC[6])(H)	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]HH)(CH3)(CCH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	H(CC[6,6]C)	117.6250	0.000	1	117.6250	0.000	1	117.6250	0.000	1	117.6250	0.000	1	116.0005	13.900	136	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6,6]	H	4:3:1:	3:4:4:3:	3:	C[6,6]-4:C-3:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C-3:	C(C[6,6]C[6,6]C[6]2)(CCH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(CCH)	H(CC[6,6]C)	C(C[6,6]C[6,6]C[6]2)(CCH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(CCH){1|C<3>,3|C<4>,5|H<1>}	H(CC[6,6]C)	115.0510	0.000	1	115.8590	1.306	2	116.2390	0.628	4	116.2390	0.628	4	116.0005	13.900	136	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6,6]	H	4:3:1:	3:4:4:3:	3:	C[6,6]-4:C-3:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C-3:	C(C[6,6]C[6,6]C[6]2)(CCH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(CCH)	H(CC[6,6]C)	C(C[6,6]C[6,6]C[6]2)(CCH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(CCH){2|C<3>,2|C<4>,5|H<1>}	H(CC[6,6]C)	116.6670	0.000	1	115.8590	1.306	2	116.2390	0.628	4	116.2390	0.628	4	116.0005	13.900	136	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6,6]	H	4:3:1:	3:4:4:3:	3:	C[6,6]-4:C-3:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C-3:	C(C[6,6]C[6,6]C[6]2)(CC[6a]H)(H)	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6,6a]HH)(C[6]O[6]HH)(CCH)	H(CC[6,6]C)	C(C[6,6]C[6,6]C[6]2)(CC[6a]H)(H)	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6,6a]HH)(C[6]O[6]HH)(CCH){4|C<3>}	H(CC[6,6]C)	116.6030	0.000	1	116.6030	0.000	1	116.2390	0.628	4	116.2390	0.628	4	116.0005	13.900	136	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6,6]	H	4:3:1:	3:4:4:3:	3:	C[6,6]-4:C-3:H-1:	C[6,6]-3:C[6]-4:C[6]-4:C-3:	C-3:	C(C[6,6]C[6,6]C[6]2)(CHH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(CCH)	H(CC[6,6]C)	C(C[6,6]C[6,6]C[6]2)(CHH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2(CCH){2|C<3>,2|C<4>,5|H<1>}	H(CC[6,6]C)	116.6350	0.000	1	116.6350	0.000	1	116.2390	0.628	4	116.2390	0.628	4	116.0005	13.900	136	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6,6]	H	4:3:1:	4:2:2:3:	3:	C[6,6]-4:C-3:H-1:	C[6,6]-4:O[6]-2:O[6]-2:C-3:	C-3:	C(C[6,6]C[6,6]O[6]2)(CCH)(H)	C[6,6](C[6,6]O[6]2C)(O[6]C[6])2(CCH)	H(CC[6,6]C)	C(C[6,6]C[6,6]O[6]2)(CCH)(H)	C[6,6](C[6,6]O[6]2C)(O[6]C[6])2(CCH){2|C<4>,4|H<1>}	H(CC[6,6]C)	115.3350	1.595	2	115.3350	2.545	2	116.1523	3.276	3	116.1523	3.276	3	116.0005	13.900	136	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6,6]	H	4:3:1:	4:2:2:3:	3:	C[6,6]-4:C-3:H-1:	C[6,6]-4:O[6]-2:O[6]-2:C-3:	C-3:	C(C[6,6]C[6,6]O[6]2)(CC[6a]H)(H)	C[6,6](C[6,6]C[6]2F)(O[6]C[6,6a])(O[6]C[6])(CCH)	H(CC[6,6]C)	C(C[6,6]C[6,6]O[6]2)(CC[6a]H)(H)	C[6,6](C[6,6]C[6]2F)(O[6]C[6,6a])(O[6]C[6])(CCH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(CC[6,6]C)	117.7870	0.000	1	117.7870	0.000	1	116.1523	3.276	3	116.1523	3.276	3	116.0005	13.900	136	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6,6]	H	4:3:1:	4:3:2:3:	3:	C[6,6]-4:C-3:H-1:	C[5,6,6]-4:C[6]-3:O[6]-2:C-3:	C-3:	C(C[6,6]C[5,6,6]C[6]O[6])(CCH)(H)	C[6,6](C[5,6,6]N[6,6]O[5,6]O[5])(C[6]N[6]O)(O[6]C[6])(CCH)	H(CC[6,6]C)	C(C[6,6]C[5,6,6]C[6]O[6])(CCH)(H)	C[6,6](C[5,6,6]N[6,6]O[5,6]O[5])(C[6]N[6]O)(O[6]C[6])(CCH){1|C<3>,2|H<1>,3|C<4>}	H(CC[6,6]C)	119.0210	0.000	1	119.0210	0.000	1	119.0210	0.000	1	119.0210	0.000	1	116.0005	13.900	136	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6,6]	H	4:3:1:	4:4:3:1:	3:	C[6,6]-4:C-3:H-1:	C[3x6]-4:C[3x6]-4:C-3:H-1:	C-3:	C(C[6,6]C[3x6]2H)(CCC)(H)	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2C)(CCH)(H)	H(CC[6,6]C)	C(C[6,6]C[3x6]2H)(CCC)(H)	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2C)(CCH)(H){1|C<3>,2|O<1>,4|C<4>}	H(CC[6,6]C)	115.6180	0.000	1	115.6180	0.000	1	117.0255	3.962	2	116.6475	3.022	94	116.0005	13.900	136	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6,6]	H	4:3:1:	4:4:3:1:	3:	C[6,6]-4:C-3:H-1:	C[3x6]-4:C[3x6]-4:C-3:H-1:	C-3:	C(C[6,6]C[3x6]2H)(CCH)(H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(CCH)(H)	H(CC[6,6]C)	C(C[6,6]C[3x6]2H)(CCH)(H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(CCH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(CC[6,6]C)	118.4330	0.000	1	118.4330	0.000	1	117.0255	3.962	2	116.6475	3.022	94	116.0005	13.900	136	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6,6]	H	4:3:1:	4:4:3:1:	3:	C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C-3:	C(C[6,6]C[3x6]C[6,6]H)(CC[6a]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(CCH)(H)	H(CC[6,6]C)	C(C[6,6]C[3x6]C[6,6]H)(CC[6a]H)(H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(CCH)(H){1|C<4>,2|C<3>,3|H<1>}	H(CC[6,6]C)	115.8140	0.000	1	115.8140	0.000	1	116.6796	3.024	83	116.6475	3.022	94	116.0005	13.900	136	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6,6]	H	4:3:1:	4:4:3:1:	3:	C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C-3:	C(C[6,6]C[3x6]C[6,6]H)(CC[6a]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(CCH)(H)	H(CC[6,6]C)	C(C[6,6]C[3x6]C[6,6]H)(CC[6a]H)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(CCH)(H){1|O<1>,2|H<1>,3|C<4>}	H(CC[6,6]C)	118.6088	0.512	4	118.6088	0.262	4	116.6796	3.024	83	116.6475	3.022	94	116.0005	13.900	136	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6,6]	H	4:3:1:	4:4:3:1:	3:	C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C-3:	C(C[6,6]C[3x6]C[6,6]H)(CHH)(H)	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]CH)(CCH)(H)	H(CC[6,6]C)	C(C[6,6]C[3x6]C[6,6]H)(CHH)(H)	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]CH)(CCH)(H){2|C<3>,2|C<4>,2|H<1>}	H(CC[6,6]C)	117.8400	0.000	1	117.8400	0.000	1	116.6796	3.024	83	116.6475	3.022	94	116.0005	13.900	136	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6,6]	H	4:3:1:	4:4:3:1:	3:	C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C-3:	C(C[6,6]C[3x6]C[6,6]H)(CHH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H)	H(CC[6,6]C)	C(C[6,6]C[3x6]C[6,6]H)(CHH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H){1|Al<5>,2|C<4>,4|H<1>}	H(CC[6,6]C)	116.8545	2.736	2	116.5756	3.017	77	116.6796	3.024	83	116.6475	3.022	94	116.0005	13.900	136	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6,6]	H	4:3:1:	4:4:3:1:	3:	C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C-3:	C(C[6,6]C[3x6]C[6,6]H)(CHH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H)	H(CC[6,6]C)	C(C[6,6]C[3x6]C[6,6]H)(CHH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H){1|B<4>,2|C<4>,4|H<1>}	H(CC[6,6]C)	117.0660	0.387	2	116.5756	3.017	77	116.6796	3.024	83	116.6475	3.022	94	116.0005	13.900	136	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6,6]	H	4:3:1:	4:4:3:1:	3:	C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C-3:	C(C[6,6]C[3x6]C[6,6]H)(CHH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H)	H(CC[6,6]C)	C(C[6,6]C[3x6]C[6,6]H)(CHH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H){2|C<4>,4|H<1>}	H(CC[6,6]C)	116.0423	2.097	23	116.5756	3.017	77	116.6796	3.024	83	116.6475	3.022	94	116.0005	13.900	136	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6,6]	H	4:3:1:	4:4:3:1:	3:	C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C-3:	C(C[6,6]C[3x6]C[6,6]H)(CHH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H)	H(CC[6,6]C)	C(C[6,6]C[3x6]C[6,6]H)(CHH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H){2|C<4>,5|H<1>}	H(CC[6,6]C)	116.9453	1.446	40	116.5756	3.017	77	116.6796	3.024	83	116.6475	3.022	94	116.0005	13.900	136	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6,6]	H	4:3:1:	4:4:3:1:	3:	C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:H-1:	C-3:	C(C[6,6]C[3x6]C[6,6]H)(CHH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H)	H(CC[6,6]C)	C(C[6,6]C[3x6]C[6,6]H)(CHH)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(CCH)(H){3|C<4>,4|H<1>}	H(CC[6,6]C)	116.1696	1.798	10	116.5756	3.017	77	116.6796	3.024	83	116.6475	3.022	94	116.0005	13.900	136	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6,6]	H	4:3:1:	4:4:3:1:	3:	C[6,6]-4:C-3:H-1:	C[4x6]-4:C[5,6,6]-4:C-3:H-1:	C-3:	C(C[6,6]C[5,6,6]C[4x6]H)(CSiH)(H)	C[6,6](C[4x6]C[3x6]C[5,6]C[6,6])(C[5,6,6]C[5,3x6]C[5]H)(CCH)(H)	H(CC[6,6]C)	C(C[6,6]C[5,6,6]C[4x6]H)(CSiH)(H)	C[6,6](C[4x6]C[3x6]C[5,6]C[6,6])(C[5,6,6]C[5,3x6]C[5]H)(CCH)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(CC[6,6]C)	116.7710	0.000	1	116.7710	0.000	1	116.7710	0.000	1	116.6475	3.022	94	116.0005	13.900	136	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6,6]	H	4:3:1:	4:4:3:1:	3:	C[6,6]-4:C-3:H-1:	C[5,3x6]-4:C[6,6]-4:C-3:H-1:	C-3:	C(C[6,6]C[5,3x6]C[6,6]H)(CCH)(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]HO)(CCH)(H)	H(CC[6,6]C)	C(C[6,6]C[5,3x6]C[6,6]H)(CCH)(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]HO)(CCH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(CC[6,6]C)	116.9665	0.771	2	116.9665	0.595	2	116.9665	0.595	2	116.6475	3.022	94	116.0005	13.900	136	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6,6]	H	4:3:1:	4:4:3:1:	3:	C[6,6]-4:C-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C-3:H-1:	C-3:	C(C[6,6]C[5,6,6]2H)(CCH)(H)	C[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]C[5,6]O[5,6]O)(CCH)(H)	H(CC[6,6]C)	C(C[6,6]C[5,6,6]2H)(CCH)(H)	C[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]C[5,6]O[5,6]O)(CCH)(H){1|C<3>,2|C<4>,3|H<1>}	H(CC[6,6]C)	115.3965	0.053	2	115.3965	0.003	2	115.3965	0.003	2	116.6475	3.022	94	116.0005	13.900	136	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6,6]	H	4:3:1:	4:4:3:1:	3:	C[6,6]-4:C-3:H-1:	C[5,6,6]-4:C[6,6]-4:C-3:H-1:	C-3:	C(C[6,6]C[5,6,6]C[6,6]H)(CCC)(H)	C[6,6](C[5,6,6]C[5,6]O[5]O[6])(C[6,6]C[6]2H)(CCH)(H)	H(CC[6,6]C)	C(C[6,6]C[5,6,6]C[6,6]H)(CCC)(H)	C[6,6](C[5,6,6]C[5,6]O[5]O[6])(C[6,6]C[6]2H)(CCH)(H){2|C<3>,3|C<4>,3|H<1>}	H(CC[6,6]C)	113.1110	0.000	1	113.1110	0.000	1	113.1110	0.000	1	116.6475	3.022	94	116.0005	13.900	136	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6,6]	H	4:3:1:	4:4:3:1:	3:	C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C-3:	C(C[6,6]C[6,6]2H)(CHH)(H)	C[6,6](C[6,6]C[5,6]C[6]N)(C[6,6]C[5,6]O[6]H)(CCH)(H)	H(CC[6,6]C)	C(C[6,6]C[6,6]2H)(CHH)(H)	C[6,6](C[6,6]C[5,6]C[6]N)(C[6,6]C[5,6]O[6]H)(CCH)(H){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	H(CC[6,6]C)	118.6530	0.000	1	118.6530	0.000	1	118.6325	0.001	2	116.6475	3.022	94	116.0005	13.900	136	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6,6]	H	4:3:1:	4:4:3:1:	3:	C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C-3:H-1:	C-3:	C(C[6,6]C[6,6]2H)(CHH)(H)	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(CCH)(H)	H(CC[6,6]C)	C(C[6,6]C[6,6]2H)(CHH)(H)	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(CCH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(CC[6,6]C)	118.6120	0.000	1	118.6120	0.000	1	118.6325	0.001	2	116.6475	3.022	94	116.0005	13.900	136	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6,6]	H	4:3:1:	4:4:3:1:	3:	C[6,6]-4:C[6]-3:H-1:	C[3x6]-4:C[3x6]-4:C-3:H-1:	C-3:	C(C[6,6]C[3x6]2H)(C[6]C[6]2)(H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]O[6,6]H)(CC[6]H)(H)	H(CC[6,6]C[6])	C(C[6,6]C[3x6]2H)(C[6]C[6]2)(H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[3x6]C[6,6]O[6,6]H)(CC[6]H)(H){1|O<2>,2|C<4>,3|H<1>}	H(CC[6,6]C[6])	114.5300	0.000	1	114.5300	0.000	1	114.5300	0.000	1	116.6475	3.022	94	116.0005	13.900	136	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6,6]	H	4:3:1:	4:4:4:3:	3:	C[6,6]-4:C-3:H-1:	C[5,5,3x6]-4:C[6,6]-4:C-4:C-3:	C-3:	C(C[6,6]C[5,5,3x6]C[6,6]C)(CHH)(H)	C[6,6](C[5,5,3x6]N[5,6,6]2C[5,5])(C[6,6]C[3x6]HH)(CCHH)(CCH)	H(CC[6,6]C)	C(C[6,6]C[5,5,3x6]C[6,6]C)(CHH)(H)	C[6,6](C[5,5,3x6]N[5,6,6]2C[5,5])(C[6,6]C[3x6]HH)(CCHH)(CCH){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	H(CC[6,6]C)	116.3750	0.000	1	116.3750	0.000	1	116.3750	0.000	1	113.4093	34.110	4	116.0005	13.900	136	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6,6]	H	4:3:1:	4:4:4:3:	3:	C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-4:C-3:	C-3:	C(C[6,6]C[6,6]2C[6])(CHH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]O[6]HH)(CCH)	H(CC[6,6]C)	C(C[6,6]C[6,6]2C[6])(CHH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]H)(C[6]O[6]HH)(CCH){1|C<3>,4|C<4>,4|H<1>}	H(CC[6,6]C)	116.9700	0.000	1	116.9700	0.000	1	116.9700	0.000	1	113.4093	34.110	4	116.0005	13.900	136	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6,6]	H	4:3:1:	4:4:4:3:	3:	C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C-3:	C(C[6,6]C[6,6]C[6]2)(CCH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CCH)	H(CC[6,6]C)	C(C[6,6]C[6,6]C[6]2)(CCH)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(CCH){1|C<4>,2|C<3>,4|H<1>}	H(CC[6,6]C)	104.6890	0.000	1	104.6890	0.000	1	110.1460	59.558	2	113.4093	34.110	4	116.0005	13.900	136	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6,6]	H	4:3:1:	4:4:4:3:	3:	C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:C-3:	C-3:	C(C[6,6]C[6,6]C[6]2)(CHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(CCH)	H(CC[6,6]C)	C(C[6,6]C[6,6]C[6]2)(CHH)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]O[6]HH)(CCH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(CC[6,6]C)	115.6030	0.000	1	115.6030	0.000	1	110.1460	59.558	2	113.4093	34.110	4	116.0005	13.900	136	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	3:4:1:	4:2:3:2:	3:	C[6]-3:C[6]-4:H-1:	C[6]-4:O[6]-2:C-3:O-2:	C-3:	C(C[6]C[6,6]C[6])(C[6]C[6]O[6]O)(H)	C[6](C[6]C[5,6]HO)(O[6]C[5,6])(CC[6]H)(OH)	H(CC[6]2)	C(C[6]C[6,6]C[6])(C[6]C[6]O[6]O)(H)	C[6](C[6]C[5,6]HO)(O[6]C[5,6])(CC[6]H)(OH){1|H<1>,4|C<4>}	H(CC[6]2)	116.8425	0.008	2	116.8425	0.000	2	116.8425	0.000	2	116.8425	0.000	2	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	3:4:1:	4:3:3:3:	3:	C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:C-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)(COO)	H(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)(COO){2|C<4>,3|H<1>}	H(CC[6a]C[6])	108.2300	0.000	1	108.2300	0.000	1	108.2300	0.000	1	108.2300	0.000	1	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	3:4:1:	4:4:3:1:	3:	C[6,6]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6,6]C[6,6]N[3x6])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(CC[6,6]H)(H)	H(CC[6,6]C[6])	C(C[6,6]C[6,6]N[3x6])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(CC[6,6]H)(H){1|C<4>,4|H<1>}	H(CC[6,6]C[6])	117.2200	0.000	1	117.2200	0.000	1	117.2200	0.000	1	116.4823	0.408	3	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	3:4:1:	4:4:3:1:	3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[5,6]C[6])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(CC[6]H)(H)	H(CC[6]2)	C(C[6]C[5,6]C[6])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(CC[6]H)(H){1|C<4>,4|H<1>}	H(CC[6]2)	116.1170	0.000	1	116.1170	0.000	1	116.1135	0.000	2	116.4823	0.408	3	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	3:4:1:	4:4:3:1:	3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6,6a]C[6])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(CC[6]H)(H)	H(CC[6]2)	C(C[6]C[6,6a]C[6])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(CC[6]H)(H){1|C<4>,4|H<1>}	H(CC[6]2)	116.1100	0.000	1	116.1100	0.000	1	116.1135	0.000	2	116.4823	0.408	3	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	2:2:4:3:	3:	C[6]-4:H-1:H-1:	O[6]-2:O[6]-2:C-4:C-3:	C-3:	C(C[6]O[6]2C)(H)2	C[6](O[6]C[6])2(CH3)(CHH)	H(CC[6]H)	C(C[6]O[6]2C)(H)2	C[6](O[6]C[6])2(CH3)(CHH){1|C<3>,1|C<4>,3|H<1>}	H(CC[6]H)	108.5680	0.240	2	109.0995	0.402	4	109.0995	0.402	4	109.0995	0.402	4	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	2:2:4:3:	3:	C[6]-4:H-1:H-1:	O[6]-2:O[6]-2:C-4:C-3:	C-3:	C(C[6]O[6]2C)(H)2	C[6](O[6]C[6])2(CH3)(CHH)	H(CC[6]H)	C(C[6]O[6]2C)(H)2	C[6](O[6]C[6])2(CH3)(CHH){1|C<4>,4|H<1>}	H(CC[6]H)	109.6310	0.134	2	109.0995	0.402	4	109.0995	0.402	4	109.0995	0.402	4	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	3:3:3:1:	3:	C[6]-4:H-1:H-1:	C[6]-3:N[6]-3:C-3:H-1:	C-3:	C(C[6]C[6]N[6]H)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(CHH)(H)	H(CC[6]H)	C(C[6]C[6]N[6]H)(H)2	C[6](C[6]C[6]C)(N[6]C[6]H)(CHH)(H){1|C<4>,1|N<3>,1|S<1>}	H(CC[6]H)	110.2450	2.987	2	110.2450	8.921	2	110.4218	6.159	4	110.4218	6.159	4	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	3:3:3:1:	3:	C[6]-4:H-1:H-1:	C[6]-3:N[6]-3:C-3:H-1:	C-3:	C(C[6]C[6]N[6]H)(H)2	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CHH)(H)	H(CC[6]H)	C(C[6]C[6]N[6]H)(H)2	C[6](C[6]N[6,6]O)(N[6]C[6]C)(CHH)(H){1|O<1>,2|C<4>}	H(CC[6]H)	110.5985	3.071	2	110.5985	9.431	2	110.4218	6.159	4	110.4218	6.159	4	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	3:3:3:3:	3:	C[6]-4:H-1:O-1:	C[6a]-3:C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6a]C[6]2)(H)(O)	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]C)(C[6]C[6]O)(CHO)	H(CC[6]O)	C(C[6]C[6a]C[6]2)(H)(O)	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]C)(C[6]C[6]O)(CHO){2|C<4>,2|H<1>,4|C<3>}	H(CC[6]O)	116.6055	0.383	2	116.6055	0.146	2	116.6055	0.146	2	116.6055	0.146	2	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	3:3:4:3:	3:	C[6]-4:H-1:O-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6,6a]2C[6])(H)(O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CHO)	H(CC[6]O)	C(C[6]C[6,6a]2C[6])(H)(O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CHO){1|C<4>,2|H<1>,8|C<3>}	H(CC[6]O)	117.0960	0.142	6	117.0960	0.020	6	117.0960	0.020	6	117.0454	0.035	7	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	3:3:4:3:	3:	C[6]-4:H-1:O-1:	C[6a]-3:C[6]-3:C[6]-4:C-3:	C-3:	C(C[6]C[6a]C[6]2)(H)(O)	C[6](C[6a]C[5,6a]C[6a])(C[6]C[5,6]O)(C[6]C[6]CC)(CHO)	H(CC[6]O)	C(C[6]C[6a]C[6]2)(H)(O)	C[6](C[6a]C[5,6a]C[6a])(C[6]C[5,6]O)(C[6]C[6]CC)(CHO){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(CC[6]O)	116.7420	0.000	1	116.7420	0.000	1	116.7420	0.000	1	117.0454	0.035	7	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	3:4:3:3:	3:	C[6]-4:H-1:O-1:	C[6a]-3:C[3,6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[3,6]C[6a]C[6])(H)(O)	C[6](C[6a]C[5a,6a]C[6a])(C[3,6]C[3,6]C[3]C)(C[6]C[6]O)(CHO)	H(CC[6]O)	C(C[6]C[3,6]C[6a]C[6])(H)(O)	C[6](C[6a]C[5a,6a]C[6a])(C[3,6]C[3,6]C[3]C)(C[6]C[6]O)(CHO){3|C<3>,3|C<4>,4|H<1>}	H(CC[6]O)	117.0000	0.000	1	117.0000	0.000	1	117.0000	0.000	1	117.5045	0.509	2	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	3:4:3:3:	3:	C[6]-4:H-1:O-1:	C[6a]-3:C[6]-4:N[6]-3:C-3:	C-3:	C(C[6]C[6a]C[6]N[6])(H)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(CHO)	H(CC[6]O)	C(C[6]C[6a]C[6]N[6])(H)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(CHO){1|C<4>,3|C<3>,4|H<1>}	H(CC[6]O)	118.0090	0.000	1	118.0090	0.000	1	118.0090	0.000	1	117.5045	0.509	2	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	3:4:4:3:	3:	C[6]-4:H-1:O-1:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6a]C[6]2)(H)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CHO)	H(CC[6]O)	C(C[6]C[6a]C[6]2)(H)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CHO){1|C<4>,2|C<3>,6|H<1>}	H(CC[6]O)	117.3160	0.000	1	117.3160	0.000	1	117.3160	0.000	1	117.3160	0.000	1	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:2:2:3:	3:	C[6]-4:H-1:O-1:	C[6]-4:S[6]-2:S[6]-2:C-3:	C-3:	C(C[6]C[6]S[6]2)(H)(O)	C[6](C[6]S[6]2H)(S[6]C[6])2(CHO)	H(CC[6]O)	C(C[6]C[6]S[6]2)(H)(O)	C[6](C[6]S[6]2H)(S[6]C[6])2(CHO){3|C<4>,4|H<1>}	H(CC[6]O)	117.2660	0.280	2	117.2660	0.078	2	117.2660	0.078	2	117.2660	0.078	2	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:2:3:1:	3:	C[6]-4:H-1:O-1:	C[6]-4:O[6]-2:C-3:H-1:	C-3:	C(C[6]C[6]O[6]H)(H)(O)	C[6](C[6]C[6]HO)(O[6]C[6])(CHO)(H)	H(CC[6]O)	C(C[6]C[6]O[6]H)(H)(O)	C[6](C[6]C[6]HO)(O[6]C[6])(CHO)(H){1|C<4>,2|H<1>,2|O<2>}	H(CC[6]O)	123.5760	0.000	1	123.5760	0.000	1	123.5760	0.000	1	123.5760	0.000	1	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:2:4:3:	3:	C[6]-4:H-1:O-1:	C[6]-4:O[6]-2:C-4:C-3:	C-3:	C(C[6]C[6]O[6]C)(H)(O)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(CHO)	H(CC[6]O)	C(C[6]C[6]O[6]C)(H)(O)	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)(CHO){1|C<4>,1|O<2>,3|H<1>}	H(CC[6]O)	110.9990	0.000	1	110.9990	0.000	1	116.4172	13.092	4	116.4172	13.092	4	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:2:4:3:	3:	C[6]-4:H-1:O-1:	C[6]-4:O[6]-2:C-4:C-3:	C-3:	C(C[6]C[6]O[6]C)(H)(O)	C[6](C[6]C[6]HH)(O[6]O[6])(CCCH)(CHO)	H(CC[6]O)	C(C[6]C[6]O[6]C)(H)(O)	C[6](C[6]C[6]HH)(O[6]O[6])(CCCH)(CHO){1|C<4>,2|H<1>}	H(CC[6]O)	118.1640	0.000	1	118.1640	0.000	1	116.4172	13.092	4	116.4172	13.092	4	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:2:4:3:	3:	C[6]-4:H-1:O-1:	C[6]-4:O[6]-2:C-4:C-3:	C-3:	C(C[6]C[6]O[6]C)(H)(O)	C[6](C[6]O[6]HH)(O[6]C[6])(CCHH)(CHO)	H(CC[6]O)	C(C[6]C[6]O[6]C)(H)(O)	C[6](C[6]O[6]HH)(O[6]C[6])(CCHH)(CHO){1|O<2>,2|C<4>}	H(CC[6]O)	118.2530	0.358	2	118.2530	0.128	2	116.4172	13.092	4	116.4172	13.092	4	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:3:3:1:	3:	C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C-3:	C(C[6]C[6]N[6]H)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CHH)(H)	H(CC[6]H)	C(C[6]C[6]N[6]H)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]C)(CHH)(H){2|C<4>,3|H<1>}	H(CC[6]H)	112.0390	6.155	2	112.0390	37.880	2	112.0390	37.880	2	116.2018	18.092	6	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:3:3:1:	3:	C[6]-4:H-1:O-1:	C[6,6]-4:C[6]-3:C-3:H-1:	C-3:	C(C[6]C[6,6]C[6]H)(H)(O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CHO)(H)	H(CC[6]O)	C(C[6]C[6,6]C[6]H)(H)(O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CHO)(H){1|O<2>,3|C<4>,3|H<1>}	H(CC[6]O)	118.3660	0.567	2	118.2832	0.198	4	118.2832	0.198	4	116.2018	18.092	6	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:3:3:1:	3:	C[6]-4:H-1:O-1:	C[6,6]-4:C[6]-3:C-3:H-1:	C-3:	C(C[6]C[6,6]C[6]H)(H)(O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CHO)(H)	H(CC[6]O)	C(C[6]C[6,6]C[6]H)(H)(O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CHO)(H){3|C<4>,4|H<1>}	H(CC[6]O)	118.2005	0.494	2	118.2832	0.198	4	118.2832	0.198	4	116.2018	18.092	6	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:3:3:2:	3:	C[6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C-3:O-2:	C-3:	C(C[6]C[5,6]C[6]O)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CHH)(OH)	H(CC[6]H)	C(C[6]C[5,6]C[6]O)(H)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CHH)(OH){4|C<4>,4|H<1>}	H(CC[6]H)	108.3645	1.722	2	108.3645	2.965	2	108.3645	2.965	2	108.3645	2.965	2	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:3:3:3:	3:	C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-3:C-3:	C-3:	C(C[6]C[6]N[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(CHH)2	H(CC[6]H)	C(C[6]C[6]N[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(CHH)2{1|H<1>,1|N<2>,3|C<4>}	H(CC[6]H)	107.3475	4.919	4	107.3475	24.196	4	107.3475	24.196	4	107.3475	24.196	4	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:3:4:3:	3:	C[6]-4:H-1:H-1:	C[6]-4:N[6]-3:C-4:C-3:	C-3:	C(C[6]C[6]N[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)(CHH)	H(CC[6]H)	C(C[6]C[6]N[6]C)(H)2	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)(CHH){2|H<1>,3|C<4>}	H(CC[6]H)	89.0182	12.718	2	89.0182	161.739	2	89.0182	161.739	2	89.0182	161.739	2	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:2:3:	3:	C[6]-4:H-1:O-1:	C[6]-4:C-4:O[6]-2:C-3:	C-3:	C(C[6]C[6]O[6]C)(H)(O)	C[6](C[6]O[6]HH)(CC[6a]HH)(O[6]C[6])(CHO)	H(CC[6]O)	C(C[6]C[6]O[6]C)(H)(O)	C[6](C[6]O[6]HH)(CC[6a]HH)(O[6]C[6])(CHO){1|O<2>,2|C<4>}	H(CC[6]O)	118.2510	0.457	2	118.2510	0.209	2	118.2510	0.209	2	118.2510	0.209	2	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:3:1:	3:	C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6,6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CHH)(H)	H(CC[6]H)	C(C[6]C[6,6]C[6]H)(H)2	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CHH)(H){1|O<1>,3|C<4>,3|H<1>}	H(CC[6]H)	120.9290	2.369	2	120.9290	5.611	2	120.9290	5.611	2	116.3116	10.392	54	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:3:1:	3:	C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHH)(H)	H(CC[6]H)	C(C[6]C[6]2H)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHH)(H){1|C<4>,1|O<2>,3|H<1>}	H(CC[6]H)	112.0680	3.089	2	112.0680	9.540	2	111.1451	18.761	10	116.3116	10.392	54	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:3:1:	3:	C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(H)2	C[6](C[6]C[6,6]HH)2(CHH)(H)	H(CC[6]H)	C(C[6]C[6]2H)(H)2	C[6](C[6]C[6,6]HH)2(CHH)(H){2|H<1>,3|C<4>}	H(CC[6]H)	111.2910	0.000	1	111.2910	0.000	1	111.1451	18.761	10	116.3116	10.392	54	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:3:1:	3:	C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(CHH)(H)	H(CC[6]H)	C(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(CHH)(H){1|C<3>,2|C<4>,2|H<1>}	H(CC[6]H)	107.5307	0.231	3	111.6052	33.729	5	111.1451	18.761	10	116.3116	10.392	54	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:3:1:	3:	C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(CHH)(H)	H(CC[6]H)	C(C[6]C[6]2H)(H)2	C[6](C[6]C[6]HH)2(CHH)(H){1|C<4>,1|O<1>,2|H<1>}	H(CC[6]H)	117.7170	3.209	2	111.6052	33.729	5	111.1451	18.761	10	116.3116	10.392	54	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:3:1:	3:	C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(CHH)(H)	H(CC[6]H)	C(C[6]C[6]2H)(H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(CHH)(H){1|H<1>,1|O<1>,3|C<3>}	H(CC[6]H)	108.9990	3.521	2	108.9990	12.400	2	111.1451	18.761	10	116.3116	10.392	54	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:3:1:	3:	C[6]-4:H-1:O-1:	C[4x6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[4x6]C[6]H)(H)(O)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(CHO)(H)	H(CC[6]O)	C(C[6]C[4x6]C[6]H)(H)(O)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(CHO)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(CC[6]O)	117.3390	0.263	2	117.3390	0.069	2	117.4633	0.081	3	116.3116	10.392	54	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:3:1:	3:	C[6]-4:H-1:O-1:	C[4x6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[4x6]C[6]H)(H)(O)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(CHO)(H)	H(CC[6]O)	C(C[6]C[4x6]C[6]H)(H)(O)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(CHO)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(CC[6]O)	117.7120	0.000	1	117.7120	0.000	1	117.4633	0.081	3	116.3116	10.392	54	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:3:1:	3:	C[6]-4:H-1:O-1:	C[5,6,6]-4:C[5,6]-4:C-3:H-1:	C-3:	C(C[6]C[5,6,6]C[5,6]H)(H)(O)	C[6](C[5,6,6]C[5,6]2O[5,6])(C[5,6]C[5,6]O[5]H)(CHO)(H)	H(CC[6]O)	C(C[6]C[5,6,6]C[5,6]H)(H)(O)	C[6](C[5,6,6]C[5,6]2O[5,6])(C[5,6]C[5,6]O[5]H)(CHO)(H){1|O<2>,3|H<1>,6|C<4>}	H(CC[6]O)	117.8540	0.000	1	117.8540	0.000	1	117.8540	0.000	1	116.3116	10.392	54	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:3:1:	3:	C[6]-4:H-1:O-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[5,6]C[6]H)(H)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(CHO)(H)	H(CC[6]O)	C(C[6]C[5,6]C[6]H)(H)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(CHO)(H){2|C<4>,3|H<1>,4|C<3>}	H(CC[6]O)	117.5880	0.000	1	117.5880	0.000	1	117.3545	0.109	2	116.3116	10.392	54	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:3:1:	3:	C[6]-4:H-1:O-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[5,6]C[6]H)(H)(O)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]C[6]H)(CHO)(H)	H(CC[6]O)	C(C[6]C[5,6]C[6]H)(H)(O)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]C[6]H)(CHO)(H){1|N<3>,3|C<3>,3|C<4>,3|H<1>}	H(CC[6]O)	117.1210	0.000	1	117.1210	0.000	1	117.3545	0.109	2	116.3116	10.392	54	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:3:1:	3:	C[6]-4:H-1:O-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6,6]C[6]H)(H)(O)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CHO)(H)	H(CC[6]O)	C(C[6]C[6,6]C[6]H)(H)(O)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CHO)(H){1|N<3>,3|C<3>,4|H<1>}	H(CC[6]O)	117.6600	0.000	1	117.6600	0.000	1	117.4944	0.563	13	116.3116	10.392	54	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:3:1:	3:	C[6]-4:H-1:O-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6,6]C[6]H)(H)(O)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHO)(H)	H(CC[6]O)	C(C[6]C[6,6]C[6]H)(H)(O)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]CC)(CHO)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(CC[6]O)	116.1730	0.000	1	116.1730	0.000	1	117.4944	0.563	13	116.3116	10.392	54	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:3:1:	3:	C[6]-4:H-1:O-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6,6]C[6]H)(H)(O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHO)(H)	H(CC[6]O)	C(C[6]C[6,6]C[6]H)(H)(O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CHO)(H){3|C<4>,5|H<1>}	H(CC[6]O)	117.6500	0.000	1	117.6500	0.000	1	117.4944	0.563	13	116.3116	10.392	54	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:3:1:	3:	C[6]-4:H-1:O-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6,6]C[6]H)(H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)(CHO)(H)	H(CC[6]O)	C(C[6]C[6,6]C[6]H)(H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)(CHO)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(CC[6]O)	117.5780	0.000	1	117.5780	0.000	1	117.4944	0.563	13	116.3116	10.392	54	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:3:1:	3:	C[6]-4:H-1:O-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6,6]C[6]H)(H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(CHO)(H)	H(CC[6]O)	C(C[6]C[6,6]C[6]H)(H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(CHO)(H){1|O<2>,2|H<1>,4|C<3>}	H(CC[6]O)	117.7460	0.000	1	117.7460	0.000	1	117.4944	0.563	13	116.3116	10.392	54	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:3:1:	3:	C[6]-4:H-1:O-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6,6]C[6]H)(H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHO)(H)	H(CC[6]O)	C(C[6]C[6,6]C[6]H)(H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHO)(H){1|C<3>,1|H<1>,5|C<4>}	H(CC[6]O)	118.3400	0.000	1	118.3400	0.000	1	117.4944	0.563	13	116.3116	10.392	54	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:3:1:	3:	C[6]-4:H-1:O-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6,6]C[6]H)(H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHO)(H)	H(CC[6]O)	C(C[6]C[6,6]C[6]H)(H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHO)(H){1|C<3>,3|C<4>,4|H<1>}	H(CC[6]O)	117.2060	1.013	4	117.2060	1.027	4	117.4944	0.563	13	116.3116	10.392	54	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:3:1:	3:	C[6]-4:H-1:O-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6,6]C[6]H)(H)(O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6]H)(CHO)(H)	H(CC[6]O)	C(C[6]C[6,6]C[6]H)(H)(O)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6]H)(CHO)(H){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	H(CC[6]O)	118.2190	0.000	1	118.2190	0.000	1	117.4944	0.563	13	116.3116	10.392	54	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:3:1:	3:	C[6]-4:H-1:O-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6,6]C[6]H)(H)(O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(CHO)(H)	H(CC[6]O)	C(C[6]C[6,6]C[6]H)(H)(O)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(CHO)(H){1|C<4>,1|H<1>,6|C<3>}	H(CC[6]O)	117.9410	0.000	1	117.9410	0.000	1	117.4944	0.563	13	116.3116	10.392	54	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:3:1:	3:	C[6]-4:H-1:O-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6,6]C[6]H)(H)(O)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(CHO)(H)	H(CC[6]O)	C(C[6]C[6,6]C[6]H)(H)(O)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(CHO)(H){2|C<3>,2|C<4>,2|H<1>}	H(CC[6]O)	117.2960	0.000	1	117.2960	0.000	1	117.4944	0.563	13	116.3116	10.392	54	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:3:1:	3:	C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(H)(O)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CHO)(H)	H(CC[6]O)	C(C[6]C[6]2H)(H)(O)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(CHO)(H){1|C<4>,2|C<3>,2|H<1>}	H(CC[6]O)	115.9630	0.000	1	115.9630	0.000	1	117.1800	0.711	23	116.3116	10.392	54	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:3:1:	3:	C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(H)(O)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)(CHO)(H)	H(CC[6]O)	C(C[6]C[6]2H)(H)(O)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)(CHO)(H){2|H<1>,6|C<3>}	H(CC[6]O)	117.3540	0.085	2	117.3540	0.007	2	117.1800	0.711	23	116.3116	10.392	54	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:3:1:	3:	C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(H)(O)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CC)(CHO)(H)	H(CC[6]O)	C(C[6]C[6]2H)(H)(O)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CC)(CHO)(H){3|C<3>,3|H<1>}	H(CC[6]O)	116.6930	0.000	1	116.6930	0.000	1	117.1800	0.711	23	116.3116	10.392	54	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:3:1:	3:	C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(H)(O)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]CH)(CHO)(H)	H(CC[6]O)	C(C[6]C[6]2H)(H)(O)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]CH)(CHO)(H){1|C<4>,3|C<3>,3|H<1>}	H(CC[6]O)	116.6040	0.287	2	116.6040	0.082	2	117.1800	0.711	23	116.3116	10.392	54	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:3:1:	3:	C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(H)(O)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(CHO)(H)	H(CC[6]O)	C(C[6]C[6]2H)(H)(O)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(CHO)(H){1|C<4>,3|C<3>,3|H<1>}	H(CC[6]O)	117.0150	0.000	1	117.0150	0.000	1	117.1800	0.711	23	116.3116	10.392	54	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:3:1:	3:	C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(H)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHO)(H)	H(CC[6]O)	C(C[6]C[6]2H)(H)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHO)(H){1|C<4>,2|C<3>,2|H<1>}	H(CC[6]O)	118.4960	0.000	1	118.1915	0.185	2	117.1800	0.711	23	116.3116	10.392	54	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:3:1:	3:	C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(H)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHO)(H)	H(CC[6]O)	C(C[6]C[6]2H)(H)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHO)(H){2|H<1>,3|C<4>}	H(CC[6]O)	117.8870	0.000	1	118.1915	0.185	2	117.1800	0.711	23	116.3116	10.392	54	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:3:1:	3:	C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(H)(O)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CHO)(H)	H(CC[6]O)	C(C[6]C[6]2H)(H)(O)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CHO)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(CC[6]O)	116.7630	0.000	1	116.7630	0.000	1	117.1800	0.711	23	116.3116	10.392	54	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:3:1:	3:	C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CHO)(H)	H(CC[6]O)	C(C[6]C[6]2H)(H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CHO)(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	H(CC[6]O)	116.1540	2.196	2	116.1540	4.824	2	117.1800	0.711	23	116.3116	10.392	54	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:3:1:	3:	C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(CHO)(H)	H(CC[6]O)	C(C[6]C[6]2H)(H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(CHO)(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	H(CC[6]O)	117.8160	0.000	1	117.8160	0.000	1	117.1800	0.711	23	116.3116	10.392	54	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:3:1:	3:	C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CHO)(H)	H(CC[6]O)	C(C[6]C[6]2H)(H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CHO)(H){1|C<4>,3|C<3>,3|H<1>}	H(CC[6]O)	116.6540	0.000	1	117.4262	0.510	4	117.1800	0.711	23	116.3116	10.392	54	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:3:1:	3:	C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CHO)(H)	H(CC[6]O)	C(C[6]C[6]2H)(H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CHO)(H){1|S<2>,3|C<3>,3|H<1>}	H(CC[6]O)	117.8930	0.000	1	117.4262	0.510	4	117.1800	0.711	23	116.3116	10.392	54	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:3:1:	3:	C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CHO)(H)	H(CC[6]O)	C(C[6]C[6]2H)(H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CHO)(H){3|C<3>,4|H<1>}	H(CC[6]O)	117.5790	0.817	2	117.4262	0.510	4	117.1800	0.711	23	116.3116	10.392	54	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:3:1:	3:	C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CHO)(H)	H(CC[6]O)	C(C[6]C[6]2H)(H)(O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CHO)(H){2|H<1>,4|C<3>}	H(CC[6]O)	116.9270	0.000	1	116.9270	0.000	1	117.1800	0.711	23	116.3116	10.392	54	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:3:1:	3:	C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(H)(O)	C[6](C[6]C[6a]C[6]H)2(CHO)(H)	H(CC[6]O)	C(C[6]C[6]2H)(H)(O)	C[6](C[6]C[6a]C[6]H)2(CHO)(H){1|C<4>,3|H<1>,5|C<3>}	H(CC[6]O)	117.4600	0.000	1	117.3307	0.261	3	117.1800	0.711	23	116.3116	10.392	54	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:3:1:	3:	C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(H)(O)	C[6](C[6]C[6a]C[6]H)2(CHO)(H)	H(CC[6]O)	C(C[6]C[6]2H)(H)(O)	C[6](C[6]C[6a]C[6]H)2(CHO)(H){2|C<4>,2|H<1>,5|C<3>}	H(CC[6]O)	117.7640	0.000	1	117.3307	0.261	3	117.1800	0.711	23	116.3116	10.392	54	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:3:1:	3:	C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(H)(O)	C[6](C[6]C[6a]C[6]H)2(CHO)(H)	H(CC[6]O)	C(C[6]C[6]2H)(H)(O)	C[6](C[6]C[6a]C[6]H)2(CHO)(H){2|H<1>,6|C<3>}	H(CC[6]O)	116.7680	0.000	1	117.3307	0.261	3	117.1800	0.711	23	116.3116	10.392	54	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:3:1:	3:	C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(H)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(CHO)(H)	H(CC[6]O)	C(C[6]C[6]2H)(H)(O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(CHO)(H){1|O<2>,2|H<1>,3|C<3>}	H(CC[6]O)	118.0350	0.000	1	118.0350	0.000	1	117.1800	0.711	23	116.3116	10.392	54	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:3:1:	3:	C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(H)(O)	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CHO)(H)	H(CC[6]O)	C(C[6]C[6]2H)(H)(O)	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(CHO)(H){2|C<4>,2|H<1>}	H(CC[6]O)	117.6230	0.000	1	117.6230	0.000	1	117.1800	0.711	23	116.3116	10.392	54	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:3:2:	3:	C[6]-4:H-1:O-1:	C[5,6]-4:C[6]-4:C-3:N-2:	C-3:	C(C[6]C[5,6]C[6]N)(H)(O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(CHO)(NN)	H(CC[6]O)	C(C[6]C[5,6]C[6]N)(H)(O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(CHO)(NN){2|C<4>,2|H<1>,2|O<2>}	H(CC[6]O)	123.5340	0.000	1	123.5340	0.000	1	123.5340	0.000	1	118.0923	4.308	9	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:3:2:	3:	C[6]-4:H-1:O-1:	C[5,6]-4:C[6]-4:C-3:O-2:	C-3:	C(C[6]C[5,6]C[6]O)(H)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHO)(OSi)	H(CC[6]O)	C(C[6]C[5,6]C[6]O)(H)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHO)(OSi){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(CC[6]O)	117.4121	0.405	8	117.4121	0.164	8	117.4121	0.164	8	118.0923	4.308	9	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:3:3:	3:	C[6]-4:H-1:H-1:	C[6,6]-4:C[6]-4:C-3:N-3:	C-3:	C(C[6]C[6,6]C[6]N)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)(NCH)	H(CC[6]H)	C(C[6]C[6,6]C[6]N)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)(NCH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(CC[6]H)	109.6820	1.645	2	109.6820	2.705	2	109.6820	2.705	2	111.8307	8.249	10	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:3:3:	3:	C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C-3:	C(C[6]C[6]2C)(H)2	C[6](C[6]C[5,6]HH)2(CHH)(COO)	H(CC[6]H)	C(C[6]C[6]2C)(H)2	C[6](C[6]C[5,6]HH)2(CHH)(COO){1|C<3>,2|C<4>,2|H<1>}	H(CC[6]H)	111.3950	0.000	1	111.3950	0.000	1	110.2150	1.045	3	111.8307	8.249	10	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:3:3:	3:	C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C-3:	C(C[6]C[6]2C)(H)2	C[6](C[6]C[6,6]HH)2(CHH)(CPW)	H(CC[6]H)	C(C[6]C[6]2C)(H)2	C[6](C[6]C[6,6]HH)2(CHH)(CPW){2|H<1>,3|C<4>}	H(CC[6]H)	109.6250	0.035	2	109.6250	0.001	2	110.2150	1.045	3	111.8307	8.249	10	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:3:3:	3:	C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:N[5]-3:C-3:	C-3:	C(C[6]C[6]2N[5])(H)(O)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(CHO)	H(CC[6]O)	C(C[6]C[6]2N[5])(H)(O)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(CHO){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	H(CC[6]O)	113.4965	3.422	4	113.6596	8.915	5	113.6596	8.915	5	111.8307	8.249	10	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:3:3:	3:	C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:N[5]-3:C-3:	C-3:	C(C[6]C[6]2N[5])(H)(O)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(CHO)	H(CC[6]O)	C(C[6]C[6]2N[5])(H)(O)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(CHO){2|O<1>,3|C<3>,3|H<1>}	H(CC[6]O)	114.3120	0.000	1	113.6596	8.915	5	113.6596	8.915	5	111.8307	8.249	10	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:4:3:	3:	C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C-3:	C(C[6]C[6]2C)(H)2	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(CCHO)(CHH)	H(CC[6]H)	C(C[6]C[6]2C)(H)2	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(CCHO)(CHH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(CC[6]H)	112.9395	4.962	2	112.9395	24.619	2	96.1258	1319.519	6	110.0993	417.374	21	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:4:3:	3:	C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C-3:	C(C[6]C[6]2C)(H)2	C[6](C[6]C[6]ZrH)2(CH3)(CHH)	H(CC[6]H)	C(C[6]C[6]2C)(H)2	C[6](C[6]C[6]ZrH)2(CH3)(CHH){1|C<4>,2|H<1>}	H(CC[6]H)	111.6995	4.055	2	111.6995	16.445	2	96.1258	1319.519	6	110.0993	417.374	21	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:4:3:	3:	C[6]-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C-3:	C(C[6]C[6]2C)(H)2	C[6](C[6]O[6]HH)2(CH3)(CHH)	H(CC[6]H)	C(C[6]C[6]2C)(H)2	C[6](C[6]O[6]HH)2(CH3)(CHH){1|C<4>}	H(CC[6]H)	63.7385	58.380	2	63.7385	3408.168	2	96.1258	1319.519	6	110.0993	417.374	21	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:4:3:	3:	C[6]-4:H-1:O-1:	C[5,6,6]-4:C[6]-4:C-4:C-3:	C-3:	C(C[6]C[5,6,6]C[6]C)(H)(O)	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]H)(C[6]C[6]HO)(CH3)(CHO)	H(CC[6]O)	C(C[6]C[5,6,6]C[6]C)(H)(O)	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]H)(C[6]C[6]HO)(CH3)(CHO){1|N<3>,1|O<2>,2|H<1>,4|C<4>}	H(CC[6]O)	118.8560	0.000	1	118.8560	0.000	1	118.8560	0.000	1	110.0993	417.374	21	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:4:3:	3:	C[6]-4:H-1:O-1:	C[5,6]-4:C[6]-4:C-4:C-3:	C-3:	C(C[6]C[5,6]C[6]C)(H)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(CH3)(CHO)	H(CC[6]O)	C(C[6]C[5,6]C[6]C)(H)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(CH3)(CHO){1|C<4>,3|C<3>,4|H<1>}	H(CC[6]O)	116.6000	0.000	1	116.6000	0.000	1	116.6000	0.000	1	110.0993	417.374	21	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:4:3:	3:	C[6]-4:H-1:O-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C-3:	C(C[6]C[6,6]C[6]C)(H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CHO)	H(CC[6]O)	C(C[6]C[6,6]C[6]C)(H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CHO){1|C<4>,2|C<3>,4|H<1>}	H(CC[6]O)	114.0530	0.000	1	114.0530	0.000	1	115.7230	4.435	8	110.0993	417.374	21	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:4:3:	3:	C[6]-4:H-1:O-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C-3:	C(C[6]C[6,6]C[6]C)(H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CHO)	H(CC[6]O)	C(C[6]C[6,6]C[6]C)(H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CHO){4|C<4>,4|H<1>}	H(CC[6]O)	117.3340	0.000	1	117.3340	0.000	1	115.7230	4.435	8	110.0993	417.374	21	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:4:3:	3:	C[6]-4:H-1:O-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C-3:	C(C[6]C[6,6]C[6]C)(H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(CHO)	H(CC[6]O)	C(C[6]C[6,6]C[6]C)(H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(CHO){4|C<4>,4|H<1>}	H(CC[6]O)	116.2062	2.176	5	116.2062	4.735	5	115.7230	4.435	8	110.0993	417.374	21	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:4:3:	3:	C[6]-4:H-1:O-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C-3:	C(C[6]C[6,6]C[6]C)(H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCHH)(CHO)	H(CC[6]O)	C(C[6]C[6,6]C[6]C)(H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCHH)(CHO){1|C<3>,3|C<4>,3|H<1>}	H(CC[6]O)	113.3660	0.000	1	113.3660	0.000	1	115.7230	4.435	8	110.0993	417.374	21	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:4:3:	3:	C[6]-4:H-1:O-1:	C[6]-4:C[6,6]-4:C-4:C-3:	C-3:	C(C[6]C[6,6]C[6]C)(H)(O)	C[6](C[6]C[6,6a]HO)(C[6,6]C[6]3)(CH3)(CHO)	H(CC[6]O)	C(C[6]C[6,6]C[6]C)(H)(O)	C[6](C[6]C[6,6a]HO)(C[6,6]C[6]3)(CH3)(CHO){2|C<3>,2|C<4>,6|H<1>}	H(CC[6]O)	117.9295	0.059	2	117.9295	0.003	2	117.9295	0.003	2	110.0993	417.374	21	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:4:3:	3:	C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:C-4:C-3:	C-3:	C(C[6]C[6]2C)(H)(O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(CHO)	H(CC[6]O)	C(C[6]C[6]2C)(H)(O)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)(CHO){1|C<3>,1|C<4>,2|H<1>}	H(CC[6]O)	112.8870	0.000	1	112.8870	0.000	1	112.7437	15.864	3	110.0993	417.374	21	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:4:3:	3:	C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:C-4:C-3:	C-3:	C(C[6]C[6]2C)(H)(O)	C[6](C[6]C[6,6]HH)2(CH3)(CHO)	H(CC[6]O)	C(C[6]C[6]2C)(H)(O)	C[6](C[6]C[6,6]HH)2(CH3)(CHO){5|C<4>}	H(CC[6]O)	108.6910	0.000	1	108.6910	0.000	1	112.7437	15.864	3	110.0993	417.374	21	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:1:1:	4:4:4:3:	3:	C[6]-4:H-1:O-1:	C[6]-4:C[6]-4:C-4:C-3:	C-3:	C(C[6]C[6]2C)(H)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CHO)	H(CC[6]O)	C(C[6]C[6]2C)(H)(O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(CHO){2|H<1>,3|C<4>}	H(CC[6]O)	116.6530	0.000	1	116.6530	0.000	1	112.7437	15.864	3	110.0993	417.374	21	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:2:1:	3:4:3:1:	3:	C[6]-4:N-2:H-1:	C[6]-3:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(NC)(H)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CHN)(H)	H(CC[6]N)	C(C[6]C[6]2H)(NC)(H)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CHN)(H){2|C<3>,2|H<1>}	H(CC[6]N)	117.5190	0.000	1	117.5190	0.000	1	117.5190	0.000	1	117.5190	0.000	1	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:2:1:	3:4:4:3:	3:	C[6]-4:H-2:H-1:	C[6,6]-3:C[6]-4:C-4:C-3:	C-3:	C(C[6]C[6,6]C[6]C)(HC)(H)	C[6](C[6,6]C[4,4,6,6]C[6,6])(C[6]C[6]HH)(CH3)(CHH)	H(CC[6]H)	C(C[6]C[6,6]C[6]C)(HC)(H)	C[6](C[6,6]C[4,4,6,6]C[6,6])(C[6]C[6]HH)(CH3)(CHH){2|C<3>,2|H<1>,3|C<4>}	H(CC[6]H)	124.2380	0.000	1	124.2380	0.000	1	124.2380	0.000	1	124.2380	0.000	1	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:2:1:	4:2:3:1:	3:	C[6]-4:C-2:H-1:	C[5,6]-4:O[6]-2:C-3:H-1:	C-3:	C(C[6]C[5,6]O[6]H)(CC)(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CCH)(H)	H(CC[6]C)	C(C[6]C[5,6]O[6]H)(CC)(H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(CCH)(H){2|C<4>,2|H<1>,2|O<2>}	H(CC[6]C)	118.1600	0.000	1	118.1600	0.000	1	118.1600	0.000	1	115.3070	16.279	2	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:2:1:	4:2:3:1:	3:	C[6]-4:N-2:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C-3:	C(C[6]C[6]O[6]H)(NN)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHN)(H)	H(CC[6]N)	C(C[6]C[6]O[6]H)(NN)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CHN)(H){1|C<4>,1|O<2>,3|H<1>}	H(CC[6]N)	112.4540	0.000	1	112.4540	0.000	1	112.4540	0.000	1	115.3070	16.279	2	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:2:1:	4:2:4:3:	3:	C[6]-4:N-2:H-1:	C[6]-4:O[6]-2:C-4:C-3:	C-3:	C(C[6]C[6]O[6]C)(NN)(H)	C[6](C[6]O[6]HH)(O[6]C[6])(CCHH)(CHN)	H(CC[6]N)	C(C[6]C[6]O[6]C)(NN)(H)	C[6](C[6]O[6]HH)(O[6]C[6])(CCHH)(CHN){1|O<2>,2|C<4>}	H(CC[6]N)	119.7475	0.216	2	119.7475	0.047	2	119.7475	0.047	2	119.7475	0.047	2	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:2:1:	4:3:2:3:	3:	C[6]-4:N-2:H-1:	C[6]-4:N[6]-3:S-2:C-3:	C-3:	C(C[6]C[6]N[6]S)(NS)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(SC[6a])(CHN)	H(CC[6]N)	C(C[6]C[6]N[6]S)(NS)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(SC[6a])(CHN){1|C<3>,3|H<1>}	H(CC[6]N)	120.0420	0.000	1	120.0420	0.000	1	120.0420	0.000	1	120.0420	0.000	1	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:2:1:	4:4:3:1:	3:	C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CC)(H)	C[6](C[6]C[6]HH)2(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CC)(H)	C[6](C[6]C[6]HH)2(CCH)(H){1|C<4>,4|H<1>}	H(CC[6]C)	116.5710	0.769	2	116.5710	0.592	2	116.5710	0.592	2	118.4920	3.474	5	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:2:1:	4:4:3:1:	3:	C[6]-4:N-2:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[5,6]C[6]H)(NN)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHN)(H)	H(CC[6]N)	C(C[6]C[5,6]C[6]H)(NN)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHN)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(CC[6]N)	119.4430	0.000	1	119.4430	0.000	1	119.4430	0.000	1	118.4920	3.474	5	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:2:1:	4:4:3:1:	3:	C[6]-4:N-2:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6,6]C[6]H)(NN)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(CHN)(H)	H(CC[6]N)	C(C[6]C[6,6]C[6]H)(NN)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(CHN)(H){1|O<2>,2|H<1>,4|C<3>}	H(CC[6]N)	119.2900	0.000	1	119.2900	0.000	1	119.9375	0.839	2	118.4920	3.474	5	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:2:1:	4:4:3:1:	3:	C[6]-4:N-2:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6,6]C[6]H)(NN)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHN)(H)	H(CC[6]N)	C(C[6]C[6,6]C[6]H)(NN)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHN)(H){1|C<3>,1|H<1>,5|C<4>}	H(CC[6]N)	120.5850	0.000	1	120.5850	0.000	1	119.9375	0.839	2	118.4920	3.474	5	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:2:1:	4:4:3:3:	3:	C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C-3:	C(C[6]C[6]2C)(NC[6a])(H)	C[6](C[6]C[6]HH)2(CCN)(CHN)	H(CC[6]N)	C(C[6]C[6]2C)(NC[6a])(H)	C[6](C[6]C[6]HH)2(CCN)(CHN){1|C<4>,4|H<1>}	H(CC[6]N)	118.2140	0.000	1	118.2140	0.000	1	118.1330	0.009	3	118.1330	0.009	3	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:2:1:	4:4:3:3:	3:	C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C-3:	C(C[6]C[6]2C)(NC[6a])(H)	C[6](C[6]C[6]HH)2(CHN)2	H(CC[6]N)	C(C[6]C[6]2C)(NC[6a])(H)	C[6](C[6]C[6]HH)2(CHN)2{1|C<4>,4|H<1>}	H(CC[6]N)	118.0925	0.094	2	118.0925	0.009	2	118.1330	0.009	3	118.1330	0.009	3	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:2:1:	4:4:4:3:	3:	C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C-3:	C(C[6]C[6]2C)(NC)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCHH)(CHN)	H(CC[6]N)	C(C[6]C[6]2C)(NC)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(CCHH)(CHN){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(CC[6]N)	117.8220	1.058	2	117.8220	1.119	2	117.8220	1.119	2	118.7920	2.428	4	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:2:1:	4:4:4:3:	3:	C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:P-4:C-3:	C-3:	C(C[6]C[6]2P)(NN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PO3)(CHN)	H(CC[6]N)	C(C[6]C[6]2P)(NN)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PO3)(CHN){1|C<3>,3|H<1>}	H(CC[6]N)	118.6660	0.000	1	118.6660	0.000	1	119.7620	2.402	2	118.7920	2.428	4	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:2:1:	4:4:4:3:	3:	C[6]-4:N-2:H-1:	C[6]-4:C[6]-4:P-4:C-3:	C-3:	C(C[6]C[6]2P)(NN)(H)	C[6](C[6]C[6]CH)2(PO3)(CHN)	H(CC[6]N)	C(C[6]C[6]2P)(NN)(H)	C[6](C[6]C[6]CH)2(PO3)(CHN){1|C<3>,3|H<1>}	H(CC[6]N)	120.8580	0.000	1	120.8580	0.000	1	119.7620	2.402	2	118.7920	2.428	4	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	2:2:4:3:	3:	C[6]-4:C-3:H-1:	O[6]-2:O[6]-2:C-4:C-3:	C-3:	C(C[6]O[6]2C)(CHH)(H)	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)(CCH)	H(CC[6]C)	C(C[6]O[6]2C)(CHH)(H)	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)(CCH){1|O<1>,2|C<3>}	H(CC[6]C)	116.9230	0.000	1	116.9230	0.000	1	116.9230	0.000	1	116.9230	0.000	1	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	2:3:3:1:	3:	C[6]-4:C-3:H-1:	O[6]-2:N[6]-3:C-3:H-1:	C-3:	C(C[6]N[6]O[6]H)(CHH)(H)	C[6](O[6]C[6,6])(N[6]C[6]S)(CCH)(H)	H(CC[6]C)	C(C[6]N[6]O[6]H)(CHH)(H)	C[6](O[6]C[6,6])(N[6]C[6]S)(CCH)(H){1|H<1>,4|C<4>}	H(CC[6]C)	116.5980	0.000	1	116.5980	0.000	1	116.5980	0.000	1	116.5980	0.000	1	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	2:3:4:3:	3:	C[6]-4:C-3:H-1:	O[6]-2:C[6]-3:C-4:C-3:	C-3:	C(C[6]C[6]O[6]C)(CCH)(H)	C[6](O[6]C[6,6a])(C[6]N[6]O)(CH3)(CCH)	H(CC[6]C)	C(C[6]C[6]O[6]C)(CCH)(H)	C[6](O[6]C[6,6a])(C[6]N[6]O)(CH3)(CCH){1|H<1>,2|C<3>}	H(CC[6]C)	117.7570	0.000	1	117.7570	0.000	1	117.7570	0.000	1	117.7570	0.000	1	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	2:4:3:1:	3:	C[6]-4:C-3:H-1:	O[6]-2:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]O[6]H)(CC[6a]H)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]O[6]H)(CC[6a]H)(H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCH)(H){1|O<1>,2|C<3>}	H(CC[6]C)	118.8230	0.000	1	118.8230	0.000	1	117.1940	5.307	2	117.1940	5.307	2	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	2:4:3:1:	3:	C[6]-4:C-3:H-1:	O[6]-2:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]O[6]H)(CHH)(H)	C[6](O[6]C[6,6a])(C[6]N[6]HH)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]O[6]H)(CHH)(H)	C[6](O[6]C[6,6a])(C[6]N[6]HH)(CCH)(H){1|S<4>,2|C<3>}	H(CC[6]C)	115.5650	0.000	1	115.5650	0.000	1	117.1940	5.307	2	117.1940	5.307	2	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	2:4:4:3:	3:	C[6]-4:C-3:H-1:	O[6]-2:C[6]-4:C-4:C-3:	C-3:	C(C[6]C[6]O[6]C)(CHH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(CCH)	H(CC[6]C)	C(C[6]C[6]O[6]C)(CHH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(CCH){1|H<1>,1|N<3>,2|C<3>}	H(CC[6]C)	115.2895	0.120	2	115.2895	0.014	2	115.2895	0.014	2	115.2895	0.014	2	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:2:2:3:	3:	C[6]-4:C-3:H-1:	C[6a]-3:O[6]-2:O[6]-2:C-3:	C-3:	C(C[6]C[6a]O[6]2)(CC[6a]2)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6])(CCH)	H(CC[6]C)	C(C[6]C[6a]O[6]2)(CC[6a]2)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6])(CCH){1|O<1>,2|H<1>,4|C<3>}	H(CC[6]C)	115.5325	0.370	2	115.5325	0.137	2	115.5325	0.137	2	115.9963	0.714	3	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:2:2:3:	3:	C[6]-4:C-3:H-1:	C[6a]-3:S[6]-2:O[6]-2:C-3:	C-3:	C(C[6]C[6a]O[6]S[6])(CC[6a]2)(H)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(O[6]C[6])(CCH)	H(CC[6]C)	C(C[6]C[6a]O[6]S[6])(CC[6a]2)(H)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(O[6]C[6])(CCH){1|O<1>,2|H<1>,4|C<3>}	H(CC[6]C)	116.9240	0.000	1	116.9240	0.000	1	116.9240	0.000	1	115.9963	0.714	3	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:2:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6a]-3:O[6]-2:C-3:H-1:	C-3:	C(C[6]C[6,6a]O[6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6a]O[6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(CC[6]C)	117.9850	0.000	1	118.0263	0.002	3	118.0263	0.002	3	118.0263	0.002	3	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:2:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6a]-3:O[6]-2:C-3:H-1:	C-3:	C(C[6]C[6,6a]O[6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6a]O[6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCH)(H){1|H<1>,1|N<2>,3|C<3>}	H(CC[6]C)	118.0470	0.030	2	118.0263	0.002	3	118.0263	0.002	3	118.0263	0.002	3	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:3:2:3:	3:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[5a]-3:O[6]-2:C-3:	C-3:	C(C[6]C[6,6a]C[5a]O[6])(CC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(O[6]C[6,6a])(CCH)	H(CC[6]C)	C(C[6]C[6,6a]C[5a]O[6])(CC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(O[6]C[6,6a])(CCH){2|H<1>,6|C<3>}	H(CC[6]C)	117.5360	0.000	1	117.5360	0.000	1	117.5360	0.000	1	116.6170	1.689	2	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:3:2:3:	3:	C[6]-4:C-3:H-1:	C[6a]-3:N[6]-3:N[6]-2:C-3:	C-3:	C(C[6]C[6a]N[6]2)(CCC)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(CCH)	H(CC[6]C)	C(C[6]C[6a]N[6]2)(CCC)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(CCH){2|H<1>,3|C<3>,3|C<4>}	H(CC[6]C)	115.6980	0.000	1	115.6980	0.000	1	115.6980	0.000	1	116.6170	1.689	2	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:3:3:1:	3:	C[6]-4:C-3:H-1:	C[5a,6]-3:C[5a,6]-3:C-3:H-1:	C-3:	C(C[6]C[5a,6]2H)(CCC)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]N[5a])(CCH)(H)	H(CC[6]C)	C(C[6]C[5a,6]2H)(CCC)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]N[5a])(CCH)(H){1|C<4>,1|N<3>,5|C<3>}	H(CC[6]C)	115.3165	0.235	2	115.3165	0.055	2	115.3165	0.055	2	117.5850	2.313	42	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:3:3:1:	3:	C[6]-4:C-3:H-1:	C[5a,6]-3:N[6,6]-3:C-3:H-1:	C-3:	C(C[6]C[5a,6]N[6,6]H)(CCC)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(CCH)(H)	H(CC[6]C)	C(C[6]C[5a,6]N[6,6]H)(CCC)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(CCH)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>}	H(CC[6]C)	115.7460	0.000	1	115.9495	0.083	2	115.9495	0.083	2	117.5850	2.313	42	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:3:3:1:	3:	C[6]-4:C-3:H-1:	C[5a,6]-3:N[6,6]-3:C-3:H-1:	C-3:	C(C[6]C[5a,6]N[6,6]H)(CCC)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(CCH)(H)	H(CC[6]C)	C(C[6]C[5a,6]N[6,6]H)(CCC)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(CCH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(CC[6]C)	116.1530	0.000	1	115.9495	0.083	2	115.9495	0.083	2	117.5850	2.313	42	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:3:3:1:	3:	C[6]-4:C-3:H-1:	C[5a,6]-3:N[6]-3:C-3:H-1:	C-3:	C(C[6]C[5a,6]N[6]H)(CC[6a]H)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]O[6])(CCH)(H)	H(CC[6]C)	C(C[6]C[5a,6]N[6]H)(CC[6a]H)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]O[6])(CCH)(H){1|C<4>,1|N<3>,4|C<3>}	H(CC[6]C)	116.8930	0.000	1	116.8930	0.000	1	116.8930	0.000	1	117.5850	2.313	42	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6]-3:C[6,6]-3:C-3:H-1:	C-3:	C(C[6]C[6,6]2H)(CC[6a]H)(H)	C[6](C[6,6]C[6,6]C[6])2(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6]2H)(CC[6a]H)(H)	C[6](C[6,6]C[6,6]C[6])2(CCH)(H){1|O<2>,2|O<1>,4|C<4>}	H(CC[6]C)	116.8450	2.563	5	116.8450	6.570	5	116.8450	6.570	5	117.5850	2.313	42	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6]-3:C[6]-3:C-3:H-1:	C-3:	C(C[6]C[6,6]C[6]H)(CC[6a]Br)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6]C[6]H)(CC[6a]Br)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CCH)(H){1|Br<1>,1|H<1>,4|C<4>}	H(CC[6]C)	117.7610	0.304	3	117.7610	0.092	3	117.7610	0.092	3	117.5850	2.313	42	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6,6a]-3:C-3:H-1:	C-3:	C(C[6]C[6,6a]2H)(CCC)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6a]2H)(CCC)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCH)(H){3|O<2>,4|C<3>}	H(CC[6]C)	116.0705	0.223	2	116.0705	0.050	2	116.0705	0.050	2	117.5850	2.313	42	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-3:C-3:H-1:	C-3:	C(C[6]C[6,6a]C[6]H)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6a]C[6]H)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH)(H){1|C<4>,2|C<3>,2|H<1>}	H(CC[6]C)	118.3500	0.000	1	118.3500	0.000	1	117.6432	0.753	4	117.5850	2.313	42	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-3:C-3:H-1:	C-3:	C(C[6]C[6,6a]C[6]H)(CC[6a]2)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6a]C[6]H)(CC[6a]2)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CCH)(H){1|O<2>,4|C<3>}	H(CC[6]C)	116.3990	0.000	1	116.3990	0.000	1	117.6432	0.753	4	117.5850	2.313	42	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-3:C-3:H-1:	C-3:	C(C[6]C[6,6a]C[6]H)(CC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6a]C[6]H)(CC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(CC[6]C)	117.9120	0.256	2	117.9120	0.066	2	117.6432	0.753	4	117.5850	2.313	42	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6a]-3:N[5,6]-3:C-3:H-1:	C-3:	C(C[6]C[6,6a]N[5,6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6a]N[5,6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(CCH)(H){1|H<1>,1|N<2>,5|C<3>}	H(CC[6]C)	118.5535	0.745	2	118.5535	0.554	2	118.5535	0.554	2	117.5850	2.313	42	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6a]-3:N[6]-3:C-3:H-1:	C-3:	C(C[6]C[6,6a]N[6]H)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6a]N[6]H)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CCH)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	H(CC[6]C)	117.4663	0.915	4	117.4663	0.837	4	117.3053	0.786	6	117.5850	2.313	42	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6a]-3:N[6]-3:C-3:H-1:	C-3:	C(C[6]C[6,6a]N[6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6a]N[6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(CC[6]C)	117.7290	0.000	1	116.9835	1.112	2	117.3053	0.786	6	117.5850	2.313	42	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6a]-3:N[6]-3:C-3:H-1:	C-3:	C(C[6]C[6,6a]N[6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6a]N[6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(CC[6]C)	116.2380	0.000	1	116.9835	1.112	2	117.3053	0.786	6	117.5850	2.313	42	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-3:C[6]-3:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CBrC)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CBrC)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCH)(H){1|C<4>,3|H<1>}	H(CC[6]C)	117.6115	1.105	2	117.6115	1.221	2	118.2747	2.194	4	117.5850	2.313	42	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-3:C[6]-3:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[6]H)(C[6]O[6]O)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[6]H)(C[6]O[6]O)(CCH)(H){1|C<3>,1|C<4>}	H(CC[6]C)	117.5960	0.000	1	117.5960	0.000	1	118.2747	2.194	4	117.5850	2.313	42	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-3:C[6]-3:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CC[4]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CC[4]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(CCH)(H){1|H<1>,2|C<4>}	H(CC[6]C)	120.2800	0.000	1	120.2800	0.000	1	118.2747	2.194	4	117.5850	2.313	42	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-3:N[6]-3:C-3:H-1:	C-3:	C(C[6]C[6]N[6]H)(CCH)(H)	C[6](C[6]N[6]C)(N[6]C[6]S)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]N[6]H)(CCH)(H)	C[6](C[6]N[6]C)(N[6]C[6]S)(CCH)(H){1|H<1>,2|C<3>}	H(CC[6]C)	121.3250	0.000	1	121.3250	0.000	1	118.7770	2.850	6	117.5850	2.313	42	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-3:N[6]-3:C-3:H-1:	C-3:	C(C[6]C[6]N[6]H)(CC[4]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]N[6]H)(CC[4]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH)(H){1|C<4>,1|H<1>,1|O<1>}	H(CC[6]C)	120.3290	0.000	1	120.3290	0.000	1	118.7770	2.850	6	117.5850	2.313	42	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-3:N[6]-3:C-3:H-1:	C-3:	C(C[6]C[6]N[6]H)(CC[6a]N)(H)	C[6](C[6]O[6]O)(N[6]C[6]H)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]N[6]H)(CC[6a]N)(H)	C[6](C[6]O[6]O)(N[6]C[6]H)(CCH)(H){1|C<4>,2|C<3>}	H(CC[6]C)	117.4105	0.776	2	117.4105	0.602	2	118.7770	2.850	6	117.5850	2.313	42	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-3:N[6]-3:C-3:H-1:	C-3:	C(C[6]C[6]N[6]H)(CHH)(H)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]N[6]H)(CHH)(H)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCH)(H){1|C<4>,1|H<1>,1|O<1>}	H(CC[6]C)	118.0935	0.279	2	118.0935	0.078	2	118.7770	2.850	6	117.5850	2.313	42	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:3:3:1:	3:	C[6]-4:C-3:H-1:	N[6]-3:N[6]-3:C-3:H-1:	C-3:	C(C[6]N[6]2H)(CC[5a]H)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CCH)(H)	H(CC[6]C)	C(C[6]N[6]2H)(CC[5a]H)(H)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(CCH)(H){1|O<1>,2|C<3>}	H(CC[6]C)	118.6053	0.433	3	118.6053	0.188	3	118.4448	0.142	5	117.5850	2.313	42	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:3:3:1:	3:	C[6]-4:C-3:H-1:	N[6]-3:N[6]-3:C-3:H-1:	C-3:	C(C[6]N[6]2H)(CC[6a]H)(H)	C[6](N[6]C[6,6a]H)2(CCH)(H)	H(CC[6]C)	C(C[6]N[6]2H)(CC[6a]H)(H)	C[6](N[6]C[6,6a]H)2(CCH)(H){3|C<3>}	H(CC[6]C)	118.1820	0.000	1	118.1820	0.000	1	118.4448	0.142	5	117.5850	2.313	42	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:3:3:1:	3:	C[6]-4:C-3:H-1:	N[6]-3:N[6]-3:C-3:H-1:	C-3:	C(C[6]N[6]2H)(CC[6a]H)(H)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]C)(CCH)(H)	H(CC[6]C)	C(C[6]N[6]2H)(CC[6a]H)(H)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]C)(CCH)(H){1|O<1>,4|C<3>}	H(CC[6]C)	118.2260	0.000	1	118.2260	0.000	1	118.4448	0.142	5	117.5850	2.313	42	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:3:3:3:	3:	C[6]-4:C-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:C-3:	C-3:	C(C[6]C[6a]C[6]N[6])(CC[6a]H)(H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6a]C[6]N[6])(CC[6a]H)(H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]H)(CCH){1|O<1>,2|H<1>,4|C<3>}	H(CC[6]C)	117.2680	0.000	1	117.2680	0.000	1	117.2680	0.000	1	115.9480	0.668	6	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:3:3:3:	3:	C[6]-4:C-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:C-3:	C-3:	C(C[6]C[6a]C[6]2)(CCH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]O)2(CCH)	H(CC[6]C)	C(C[6]C[6a]C[6]2)(CCH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]O)2(CCH){1|C<4>,2|C<3>,6|H<1>}	H(CC[6]C)	115.9165	0.317	2	115.9165	0.101	2	115.9165	0.101	2	115.9480	0.668	6	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:3:3:3:	3:	C[6]-4:C-3:H-1:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:C-3:	C-3:	C(C[6]C[6,6a]N[5a,6]C[6a])(CCC)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[5,6,6a]C[6a])(C[6a]C[6a]2)(CCH)	H(CC[6]C)	C(C[6]C[6,6a]N[5a,6]C[6a])(CCC)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[5,6,6a]C[6a])(C[6a]C[6a]2)(CCH){1|N<2>,1|N<3>,3|H<1>,6|C<3>}	H(CC[6]C)	116.3150	0.000	1	116.3150	0.000	1	116.3150	0.000	1	115.9480	0.668	6	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:3:3:3:	3:	C[6]-4:C-3:H-1:	N[6]-3:N[6]-3:C-3:C-3:	C-3:	C(C[6]N[6]2C)(CCH)(H)	C[6](N[6]C[6a]C[6])2(CCH)2	H(CC[6]C)	C(C[6]N[6]2C)(CCH)(H)	C[6](N[6]C[6a]C[6])2(CCH)2{1|C<4>,2|O<1>,4|C<3>}	H(CC[6]C)	115.1360	0.202	2	115.1360	0.041	2	115.1360	0.041	2	115.9480	0.668	6	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:3:4:3:	3:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-3:C-4:C-3:	C-3:	C(C[6]C[6,6a]C[6]C)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(CCH)	H(CC[6]C)	C(C[6]C[6,6a]C[6]C)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(CCH){1|C<4>,1|H<1>,3|C<3>}	H(CC[6]C)	115.4470	0.233	2	115.4470	0.054	2	115.4470	0.054	2	114.8732	5.279	4	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:3:4:3:	3:	C[6]-4:C-3:H-1:	C[6,6a]-3:N[6]-3:C-4:C-3:	C-3:	C(C[6]C[6,6a]N[6]C)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(CCH)	H(CC[6]C)	C(C[6]C[6,6a]N[6]C)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(CCH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(CC[6]C)	116.9890	0.000	1	116.9890	0.000	1	116.9890	0.000	1	114.8732	5.279	4	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:3:4:3:	3:	C[6]-4:C-3:H-1:	C[6]-3:C[6]-3:C-4:C-3:	C-3:	C(C[6]C[6]2C)(CCH)(H)	C[6](C[6]C[6]H)2(CH3)(CCH)	H(CC[6]C)	C(C[6]C[6]2C)(CCH)(H)	C[6](C[6]C[6]H)2(CH3)(CCH){1|C<4>,2|H<1>}	H(CC[6]C)	111.6100	0.000	1	111.6100	0.000	1	111.6100	0.000	1	114.8732	5.279	4	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:4:3:1:	3:	C[6]-4:C-3:H-1:	C[5a,6]-3:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[5a,6]C[6]H)(CC[6a]H)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]CH)(CCH)(H)	H(CC[6]C)	C(C[6]C[5a,6]C[6]H)(CC[6a]H)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]CH)(CCH)(H){1|C<4>,1|N<3>,2|C<3>}	H(CC[6]C)	117.4335	0.551	2	117.4335	0.303	2	117.5318	0.228	5	117.0638	1.527	53	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:4:3:1:	3:	C[6]-4:C-3:H-1:	C[5a,6]-3:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[5a,6]C[6]H)(CHH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(CCH)(H)	H(CC[6]C)	C(C[6]C[5a,6]C[6]H)(CHH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(CCH)(H){1|C<4>,1|H<1>,4|C<3>}	H(CC[6]C)	117.9820	0.000	1	117.9820	0.000	1	117.5318	0.228	5	117.0638	1.527	53	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:4:3:1:	3:	C[6]-4:C-3:H-1:	C[5a,6]-3:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[5a,6]C[6]H)(CHH)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCH)(H)	H(CC[6]C)	C(C[6]C[5a,6]C[6]H)(CHH)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCH)(H){1|C<4>,1|N<3>,1|S<4>,2|C<3>}	H(CC[6]C)	117.8250	0.000	1	117.4050	0.353	2	117.5318	0.228	5	117.0638	1.527	53	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:4:3:1:	3:	C[6]-4:C-3:H-1:	C[5a,6]-3:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[5a,6]C[6]H)(CHH)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCH)(H)	H(CC[6]C)	C(C[6]C[5a,6]C[6]H)(CHH)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCH)(H){1|N<3>,2|C<3>,2|C<4>}	H(CC[6]C)	116.9850	0.000	1	117.4050	0.353	2	117.5318	0.228	5	117.0638	1.527	53	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[5,6]-4:C-3:H-1:	C-3:	C(C[6]C[6,6a]C[5,6]H)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6a]C[5,6]H)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCH)(H){1|C<3>,1|O<1>,1|S<2>,2|H<1>,4|C<4>}	H(CC[6]C)	117.6492	0.944	8	117.6492	0.890	8	117.6066	0.635	11	117.0638	1.527	53	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[5,6]-4:C-3:H-1:	C-3:	C(C[6]C[6,6a]C[5,6]H)(CC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6a]C[5,6]H)(CC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(CCH)(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	H(CC[6]C)	117.5980	0.047	2	117.5980	0.002	2	117.6066	0.635	11	117.0638	1.527	53	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[5,6]-4:C-3:H-1:	C-3:	C(C[6]C[6,6a]C[5,6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6a]C[5,6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCH)(H){1|N<4>,2|C<3>,2|C<4>,4|H<1>}	H(CC[6]C)	117.2830	0.000	1	117.2830	0.000	1	117.6066	0.635	11	117.0638	1.527	53	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6,6]-4:C-3:H-1:	C-3:	C(C[6]C[6,6a]C[6,6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6a]C[6,6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CCH)(H){2|H<1>,2|O<1>,3|C<3>,3|N<3>}	H(CC[6]C)	118.1500	0.000	1	118.1500	0.000	1	118.1500	0.000	1	117.0638	1.527	53	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6,6a]C[6]H)(CCC)(H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HN)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6a]C[6]H)(CCC)(H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HN)(CCH)(H){3|C<3>,3|H<1>}	H(CC[6]C)	115.8807	0.902	3	115.8807	0.814	3	116.8476	1.914	22	117.0638	1.527	53	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6,6a]C[6]H)(CCC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]CH)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6a]C[6]H)(CCC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]CH)(CCH)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	H(CC[6]C)	116.2703	0.598	3	116.2703	0.357	3	116.8476	1.914	22	117.0638	1.527	53	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6,6a]C[6]H)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6a]C[6]H)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCH)(H){1|C<4>,1|H<1>,3|C<3>}	H(CC[6]C)	116.2700	0.000	1	116.2700	0.000	1	116.8476	1.914	22	117.0638	1.527	53	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6,6a]C[6]H)(CCH)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6a]C[6]H)(CCH)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(CCH)(H){1|C<4>,5|C<3>}	H(CC[6]C)	117.2765	0.013	2	117.2765	0.000	2	116.8476	1.914	22	117.0638	1.527	53	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6,6a]C[6]H)(CC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6a]C[6]H)(CC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CCH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	H(CC[6]C)	117.0950	0.000	1	117.0950	0.000	1	116.8476	1.914	22	117.0638	1.527	53	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6,6a]C[6]H)(CC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6a]C[6]H)(CC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH)(H){1|C<4>,2|H<1>,3|C<3>}	H(CC[6]C)	116.0970	0.000	1	117.2750	2.775	2	116.8476	1.914	22	117.0638	1.527	53	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6,6a]C[6]H)(CC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6a]C[6]H)(CC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(CC[6]C)	118.4530	0.000	1	117.2750	2.775	2	116.8476	1.914	22	117.0638	1.527	53	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6,6a]C[6]H)(CC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6a]C[6]H)(CC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCH)(H){1|O<2>,2|H<1>,5|C<3>}	H(CC[6]C)	117.9180	0.031	2	117.9180	0.001	2	116.8476	1.914	22	117.0638	1.527	53	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6,6a]C[6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6a]C[6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CCH)(H){1|C<4>,1|H<1>,3|C<3>}	H(CC[6]C)	114.6210	0.000	1	114.6210	0.000	1	116.8476	1.914	22	117.0638	1.527	53	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6,6a]C[6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6a]C[6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CCH)(H){1|N<3>,2|H<1>,3|C<3>}	H(CC[6]C)	113.1090	0.000	1	113.1090	0.000	1	116.8476	1.914	22	117.0638	1.527	53	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6,6a]C[6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6a]C[6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCH)(H){1|C<4>,2|C<3>,3|H<1>}	H(CC[6]C)	117.8200	0.000	1	118.0685	0.138	4	116.8476	1.914	22	117.0638	1.527	53	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6,6a]C[6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6a]C[6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(CC[6]C)	118.3530	0.296	2	118.0685	0.138	4	116.8476	1.914	22	117.0638	1.527	53	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6,6a]C[6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6a]C[6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCH)(H){1|O<2>,2|C<3>,3|H<1>}	H(CC[6]C)	117.7480	0.000	1	118.0685	0.138	4	116.8476	1.914	22	117.0638	1.527	53	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6,6a]C[6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6a]C[6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCH)(H){1|H<1>,2|C<3>,2|C<4>}	H(CC[6]C)	118.2040	0.000	1	118.2040	0.000	1	116.8476	1.914	22	117.0638	1.527	53	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6,6a]C[6]H)(CHN)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6a]C[6]H)(CHN)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(CCH)(H){1|H<1>,4|C<3>}	H(CC[6]C)	117.6820	0.000	1	117.6820	0.000	1	116.8476	1.914	22	117.0638	1.527	53	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]HH)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]HH)(CCH)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	H(CC[6]C)	116.8135	0.043	2	116.8135	0.002	2	116.8135	0.002	2	117.0638	1.527	53	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:4:3:1:	3:	C[6]-4:C-3:H-1:	N[5,6]-3:C[6]-4:C-3:H-1:	C-3:	C(C[6]N[5,6]C[6]H)(CHH)(H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[5,6]HO)(CCH)(H)	H(CC[6]C)	C(C[6]N[5,6]C[6]H)(CHH)(H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[5,6]HO)(CCH)(H){1|C<2>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(CC[6]C)	118.0150	0.000	1	118.0150	0.000	1	118.0150	0.000	1	117.0638	1.527	53	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:4:3:1:	3:	C[6]-4:C-3:H-1:	N[5a,6]-3:C[6]-4:C-3:H-1:	C-3:	C(C[6]N[5a,6]C[6]H)(CHH)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(CCH)(H)	H(CC[6]C)	C(C[6]N[5a,6]C[6]H)(CHH)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(CCH)(H){2|C<4>,3|C<3>}	H(CC[6]C)	118.2000	0.000	1	118.2000	0.000	1	115.9593	1.709	6	117.0638	1.527	53	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:4:3:1:	3:	C[6]-4:C-3:H-1:	N[5a,6]-3:C[6]-4:C-3:H-1:	C-3:	C(C[6]N[5a,6]C[6]H)(CHH)(H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(CCH)(H)	H(CC[6]C)	C(C[6]N[5a,6]C[6]H)(CHH)(H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(CCH)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	H(CC[6]C)	115.0210	0.468	3	115.0210	0.219	3	115.9593	1.709	6	117.0638	1.527	53	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:4:3:1:	3:	C[6]-4:C-3:H-1:	N[5a,6]-3:C[6]-4:C-3:H-1:	C-3:	C(C[6]N[5a,6]C[6]H)(CHH)(H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(CCH)(H)	H(CC[6]C)	C(C[6]N[5a,6]C[6]H)(CHH)(H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(CCH)(H){1|C<3>,1|C<4>,1|N<2>}	H(CC[6]C)	116.2465	0.530	2	116.2465	0.281	2	115.9593	1.709	6	117.0638	1.527	53	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:4:3:1:	3:	C[6]-4:C-3:H-1:	N[6,6a]-3:C[6]-4:C-3:H-1:	C-3:	C(C[6]N[6,6a]C[6]H)(CHH)(H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCH)(H)	H(CC[6]C)	C(C[6]N[6,6a]C[6]H)(CHH)(H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCH)(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>}	H(CC[6]C)	118.1580	0.000	1	118.1580	0.000	1	118.1580	0.000	1	117.0638	1.527	53	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:4:3:1:	3:	C[6]-4:C-3:H-1:	N[6]-3:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]N[6]H)(CC[6a]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]CC)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]N[6]H)(CC[6a]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]CC)(CCH)(H){1|H<1>,5|C<3>}	H(CC[6]C)	118.2480	0.000	1	118.4675	0.096	2	118.4675	0.096	2	117.0638	1.527	53	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:4:3:1:	3:	C[6]-4:C-3:H-1:	N[6]-3:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]N[6]H)(CC[6a]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]CC)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]N[6]H)(CC[6a]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]CC)(CCH)(H){6|C<3>}	H(CC[6]C)	118.6870	0.000	1	118.4675	0.096	2	118.4675	0.096	2	117.0638	1.527	53	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:4:3:1:	3:	C[6]-4:C[5]-3:H-1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6,6a]C[6]H)(C[5]C[5]N[5])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CC[5]H)(H)	H(CC[5]C[6])	C(C[6]C[6,6a]C[6]H)(C[5]C[5]N[5])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CC[5]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(CC[5]C[6])	115.8800	0.676	2	115.8800	0.457	2	115.8800	0.457	2	117.0638	1.527	53	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:4:3:2:	3:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C-3:O-2:	C-3:	C(C[6]C[6,6a]C[6]O)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CCH)(OH)	H(CC[6]C)	C(C[6]C[6,6a]C[6]O)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CCH)(OH){3|C<3>,3|H<1>}	H(CC[6]C)	117.7600	0.000	1	117.7600	0.000	1	117.7600	0.000	1	117.8317	0.080	3	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:4:3:2:	3:	C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:C-3:O-2:	C-3:	C(C[6]C[6]2O)(CHH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(CCH)(OH)	H(CC[6]C)	C(C[6]C[6]2O)(CHH)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(CCH)(OH){2|C<3>,2|H<1>}	H(CC[6]C)	117.8675	0.391	2	117.8675	0.153	2	117.8675	0.153	2	117.8317	0.080	3	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:4:3:3:	3:	C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:C-3:	C-3:	C(C[6]C[6a]C[6]2)(CCH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)(CCH)	H(CC[6]C)	C(C[6]C[6a]C[6]2)(CCH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)(CCH){1|C<4>,3|C<3>,4|H<1>}	H(CC[6]C)	108.9120	0.000	1	108.9120	0.000	1	108.9120	0.000	1	108.9120	0.000	1	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:4:4:3:	3:	C[6]-4:C-3:H-1:	C[5a,6]-3:C[6]-4:C-4:C-3:	C-3:	C(C[6]C[5a,6]C[6]C)(CHH)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)(CCH)	H(CC[6]C)	C(C[6]C[5a,6]C[6]C)(CHH)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CCHH)(CCH){1|C<4>,2|H<1>,3|C<3>}	H(CC[6]C)	115.0600	1.530	2	115.0600	2.341	2	115.0600	2.341	2	114.6915	8.722	26	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:4:4:3:	3:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C-4:C-3:	C-3:	C(C[6]C[6,6a]C[6]C)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)(CCH)	H(CC[6]C)	C(C[6]C[6,6a]C[6]C)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)(CCH){1|N<3>,2|H<1>,3|C<3>}	H(CC[6]C)	115.5990	0.000	1	115.5990	0.000	1	115.5990	0.000	1	114.6915	8.722	26	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:4:4:3:	3:	C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:C-4:C-3:	C-3:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH)	H(CC[6]C)	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(CC[6]C)	116.5070	0.583	2	114.5301	11.760	19	114.5543	10.110	22	114.6915	8.722	26	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:4:4:3:	3:	C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:C-4:C-3:	C-3:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH)	H(CC[6]C)	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	H(CC[6]C)	115.3088	1.469	5	114.5301	11.760	19	114.5543	10.110	22	114.6915	8.722	26	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:4:4:3:	3:	C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:C-4:C-3:	C-3:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH)	H(CC[6]C)	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH){1|H<1>,1|O<2>,2|C<4>}	H(CC[6]C)	114.6953	0.850	3	114.5301	11.760	19	114.5543	10.110	22	114.6915	8.722	26	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:4:4:3:	3:	C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:C-4:C-3:	C-3:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH)	H(CC[6]C)	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH){1|O<1>,2|C<4>}	H(CC[6]C)	116.2100	0.000	1	114.5301	11.760	19	114.5543	10.110	22	114.6915	8.722	26	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:4:4:3:	3:	C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:C-4:C-3:	C-3:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH)	H(CC[6]C)	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CH3)(CCH){2|C<4>,2|H<1>}	H(CC[6]C)	113.2771	4.999	8	114.5301	11.760	19	114.5543	10.110	22	114.6915	8.722	26	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:4:4:3:	3:	C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:C-4:C-3:	C-3:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3)(CCH)	H(CC[6]C)	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	H(CC[6]C)	114.9220	0.529	2	114.9220	0.280	2	114.5543	10.110	22	114.6915	8.722	26	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:4:4:3:	3:	C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:C-4:C-3:	C-3:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)(CCH)	H(CC[6]C)	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	H(CC[6]C)	114.2800	0.000	1	114.2800	0.000	1	114.5543	10.110	22	114.6915	8.722	26	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	3:4:4:3:	3:	C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C-3:	C(C[6]C[6a]C[6]2)(CHH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(CCH)	H(CC[6]C)	C(C[6]C[6a]C[6]2)(CHH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(CCH){1|N<3>,3|C<3>,5|H<1>}	H(CC[6]C)	116.0650	0.000	1	116.0650	0.000	1	116.0650	0.000	1	114.6915	8.722	26	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:2:3:1:	3:	C[6]-4:C-3:H-1:	C[3x6]-4:O[6]-2:C-3:H-1:	C-3:	C(C[6]C[3x6]O[6]H)(CCC)(H)	C[6](C[3x6]C[3x6]C[6]2)(O[6]N[5,6])(CCH)(H)	H(CC[6]C)	C(C[6]C[3x6]O[6]H)(CCC)(H)	C[6](C[3x6]C[3x6]C[6]2)(O[6]N[5,6])(CCH)(H){1|O<2>,4|C<4>,5|H<1>}	H(CC[6]C)	116.2325	0.206	2	116.2325	0.042	2	116.2047	0.023	3	116.8122	3.000	60	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:2:3:1:	3:	C[6]-4:C-3:H-1:	C[3x6]-4:O[6]-2:C-3:H-1:	C-3:	C(C[6]C[3x6]O[6]H)(CCC)(H)	C[6](C[3x6]C[4x6]C[6,6]C)(O[6]N[6])(CCH)(H)	H(CC[6]C)	C(C[6]C[3x6]O[6]H)(CCC)(H)	C[6](C[3x6]C[4x6]C[6,6]C)(O[6]N[6])(CCH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(CC[6]C)	116.1490	0.000	1	116.1490	0.000	1	116.2047	0.023	3	116.8122	3.000	60	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:2:3:1:	3:	C[6]-4:C-3:H-1:	C[5,6,6]-4:O[6]-2:C-3:H-1:	C-3:	C(C[6]C[5,6,6]O[6]H)(CHH)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[6]C[6])(CCH)(H)	H(CC[6]C)	C(C[6]C[5,6,6]O[6]H)(CHH)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[6]C[6])(CCH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(CC[6]C)	118.7000	0.000	1	118.7000	0.000	1	118.7000	0.000	1	116.8122	3.000	60	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:2:3:1:	3:	C[6]-4:C-3:H-1:	C[5,6]-4:N[6]-2:C-3:H-1:	C-3:	C(C[6]C[5,6]N[6]H)(CHH)(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6])(CCH)(H)	H(CC[6]C)	C(C[6]C[5,6]N[6]H)(CHH)(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6])(CCH)(H){1|O<2>,2|H<1>,3|C<4>}	H(CC[6]C)	114.5510	0.000	1	114.5510	0.000	1	114.5510	0.000	1	116.8122	3.000	60	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:2:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6]-4:O[6]-2:C-3:H-1:	C-3:	C(C[6]C[6,6]O[6]H)(CC[6a]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6]O[6]H)(CC[6a]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCH)(H){1|C<3>,3|H<1>,4|C<4>}	H(CC[6]C)	116.0820	0.000	1	116.0820	0.000	1	116.6870	0.732	2	116.8122	3.000	60	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:2:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6]-4:O[6]-2:C-3:H-1:	C-3:	C(C[6]C[6,6]O[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6]O[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CCH)(H){1|C<3>,2|C<4>,4|H<1>}	H(CC[6]C)	117.2920	0.000	1	117.2920	0.000	1	116.6870	0.732	2	116.8122	3.000	60	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:2:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:N[6]-2:C-3:H-1:	C-3:	C(C[6]C[6]N[6]H)(CHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6])(CCH)(H)	H(CC[6]C)	C(C[6]C[6]N[6]H)(CHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6])(CCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(CC[6]C)	116.7530	0.000	1	116.7530	0.000	1	116.7530	0.000	1	116.8122	3.000	60	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:2:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C-3:	C(C[6]C[6]O[6]H)(CCC)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCH)(H)	H(CC[6]C)	C(C[6]C[6]O[6]H)(CCC)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCH)(H){2|H<1>,3|C<4>}	H(CC[6]C)	116.8740	0.554	3	116.8740	0.307	3	116.8195	3.238	51	116.8122	3.000	60	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:2:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C-3:	C(C[6]C[6]O[6]H)(CCH)(H)	C[6](C[6]C[6,6]HH)(O[6]B[6])(CCH)(H)	H(CC[6]C)	C(C[6]C[6]O[6]H)(CCH)(H)	C[6](C[6]C[6,6]HH)(O[6]B[6])(CCH)(H){1|C<3>,1|N<3>,2|C<4>}	H(CC[6]C)	117.5240	0.000	1	117.5240	0.000	1	116.8195	3.238	51	116.8122	3.000	60	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:2:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C-3:	C(C[6]C[6]O[6]H)(CCH)(H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCH)(H)	H(CC[6]C)	C(C[6]C[6]O[6]H)(CCH)(H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCH)(H){1|C<3>,1|O<1>,2|C<4>}	H(CC[6]C)	115.1020	0.000	1	115.1020	0.000	1	116.8195	3.238	51	116.8122	3.000	60	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:2:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C-3:	C(C[6]C[6]O[6]H)(CCH)(H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCH)(H)	H(CC[6]C)	C(C[6]C[6]O[6]H)(CCH)(H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCH)(H){1|C<3>,1|C<4>,1|O<1>}	H(CC[6]C)	118.2590	0.000	1	118.2590	0.000	1	116.8195	3.238	51	116.8122	3.000	60	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:2:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C-3:	C(C[6]C[6]O[6]H)(CCH)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H)	H(CC[6]C)	C(C[6]C[6]O[6]H)(CCH)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H){1|C<3>,1|O<1>,1|O<2>}	H(CC[6]C)	114.6240	0.000	1	114.6240	0.000	1	116.8195	3.238	51	116.8122	3.000	60	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:2:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C-3:	C(C[6]C[6]O[6]H)(CCH)(H)	C[6](C[6]C[6]HH)(O[6]P[6])(CCH)(H)	H(CC[6]C)	C(C[6]C[6]O[6]H)(CCH)(H)	C[6](C[6]C[6]HH)(O[6]P[6])(CCH)(H){1|B<4>,1|C<3>,1|H<1>,2|O<2>}	H(CC[6]C)	111.9090	0.215	2	113.1043	4.310	3	116.8195	3.238	51	116.8122	3.000	60	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:2:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C-3:	C(C[6]C[6]O[6]H)(CCH)(H)	C[6](C[6]C[6]HH)(O[6]P[6])(CCH)(H)	H(CC[6]C)	C(C[6]C[6]O[6]H)(CCH)(H)	C[6](C[6]C[6]HH)(O[6]P[6])(CCH)(H){1|C<3>,1|H<1>,1|O<1>,2|O<2>}	H(CC[6]C)	115.4950	0.000	1	113.1043	4.310	3	116.8195	3.238	51	116.8122	3.000	60	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:2:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C-3:	C(C[6]C[6]O[6]H)(CCH)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(CCH)(H)	H(CC[6]C)	C(C[6]C[6]O[6]H)(CCH)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(CCH)(H){1|O<2>,2|C<4>,2|H<1>}	H(CC[6]C)	117.7405	0.962	4	117.7405	0.926	4	116.8195	3.238	51	116.8122	3.000	60	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:2:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C-3:	C(C[6]C[6]O[6]H)(CCH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCH)(H)	H(CC[6]C)	C(C[6]C[6]O[6]H)(CCH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCH)(H){1|C<4>,1|O<2>,3|H<1>}	H(CC[6]C)	114.9890	0.000	1	114.9890	0.000	1	116.8195	3.238	51	116.8122	3.000	60	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:2:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C-3:	C(C[6]C[6]O[6]H)(CCH)(H)	C[6](C[6]O[6]CH)(O[6]C[6])(CCH)(H)	H(CC[6]C)	C(C[6]C[6]O[6]H)(CCH)(H)	C[6](C[6]O[6]CH)(O[6]C[6])(CCH)(H){1|O<2>,2|C<4>}	H(CC[6]C)	118.3840	0.000	1	118.3840	0.000	1	116.8195	3.238	51	116.8122	3.000	60	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:2:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C-3:	C(C[6]C[6]O[6]H)(CC[6]H)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H)	H(CC[6]C)	C(C[6]C[6]O[6]H)(CC[6]H)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(CC[6]C)	117.2410	0.000	2	117.2410	0.000	2	116.8195	3.238	51	116.8122	3.000	60	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:2:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C-3:	C(C[6]C[6]O[6]H)(CC[6a]H)(H)	C[6](C[6]C[6,6a]C[6a]H)(O[6]C[6])(CCH)(H)	H(CC[6]C)	C(C[6]C[6]O[6]H)(CC[6a]H)(H)	C[6](C[6]C[6,6a]C[6a]H)(O[6]C[6])(CCH)(H){2|H<1>,4|C<3>}	H(CC[6]C)	115.8570	0.000	1	115.8570	0.000	1	116.8195	3.238	51	116.8122	3.000	60	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:2:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C-3:	C(C[6]C[6]O[6]H)(CC[6a]H)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCH)(H)	H(CC[6]C)	C(C[6]C[6]O[6]H)(CC[6a]H)(H)	C[6](C[6]C[6]CH)(O[6]C[6])(CCH)(H){1|C<4>,1|O<1>,2|H<1>}	H(CC[6]C)	118.9400	0.000	1	118.9400	0.000	1	116.8195	3.238	51	116.8122	3.000	60	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:2:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C-3:	C(C[6]C[6]O[6]H)(CC[6a]H)(H)	C[6](C[6]C[6]FH)(O[6]C[6])(CCH)(H)	H(CC[6]C)	C(C[6]C[6]O[6]H)(CC[6a]H)(H)	C[6](C[6]C[6]FH)(O[6]C[6])(CCH)(H){1|C<3>,1|H<1>,1|O<1>}	H(CC[6]C)	117.4940	0.038	2	117.4940	0.001	2	116.8195	3.238	51	116.8122	3.000	60	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:2:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C-3:	C(C[6]C[6]O[6]H)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCH)(H)	H(CC[6]C)	C(C[6]C[6]O[6]H)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(CCH)(H){1|C<3>,1|C<4>,3|H<1>}	H(CC[6]C)	116.2610	0.000	1	116.2610	0.000	1	116.8195	3.238	51	116.8122	3.000	60	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:2:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C-3:	C(C[6]C[6]O[6]H)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H)	H(CC[6]C)	C(C[6]C[6]O[6]H)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(CC[6]C)	118.2692	2.363	4	117.5263	5.962	6	116.8195	3.238	51	116.8122	3.000	60	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:2:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C-3:	C(C[6]C[6]O[6]H)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H)	H(CC[6]C)	C(C[6]C[6]O[6]H)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H){1|C<4>,1|O<2>,3|H<1>}	H(CC[6]C)	116.0405	2.538	2	117.5263	5.962	6	116.8195	3.238	51	116.8122	3.000	60	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:2:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C-3:	C(C[6]C[6]O[6]H)(CC[6a]H)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCH)(H)	H(CC[6]C)	C(C[6]C[6]O[6]H)(CC[6a]H)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(CCH)(H){1|C<3>,1|H<1>,1|O<1>}	H(CC[6]C)	118.3430	0.000	1	118.3430	0.000	1	116.8195	3.238	51	116.8122	3.000	60	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:2:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C-3:	C(C[6]C[6]O[6]H)(CHH)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H)	H(CC[6]C)	C(C[6]C[6]O[6]H)(CHH)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(CC[6]C)	116.4518	1.714	5	116.8277	3.199	6	116.8195	3.238	51	116.8122	3.000	60	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:2:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C-3:	C(C[6]C[6]O[6]H)(CHH)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H)	H(CC[6]C)	C(C[6]C[6]O[6]H)(CHH)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H){1|H<1>,2|C<4>,2|S<4>}	H(CC[6]C)	118.7070	0.000	1	116.8277	3.199	6	116.8195	3.238	51	116.8122	3.000	60	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:2:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C-3:	C(C[6]C[6]O[6]H)(CHH)(H)	C[6](C[6]C[6]HH)(O[6]N[6])(CCH)(H)	H(CC[6]C)	C(C[6]C[6]O[6]H)(CHH)(H)	C[6](C[6]C[6]HH)(O[6]N[6])(CCH)(H){1|C<4>,3|C<3>}	H(CC[6]C)	117.8310	0.000	1	117.8310	0.000	1	116.8195	3.238	51	116.8122	3.000	60	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:2:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C-3:	C(C[6]C[6]O[6]H)(CHH)(H)	C[6](C[6]C[6]HH)(O[6]P[6])(CCH)(H)	H(CC[6]C)	C(C[6]C[6]O[6]H)(CHH)(H)	C[6](C[6]C[6]HH)(O[6]P[6])(CCH)(H){1|B<4>,1|C<3>,1|H<1>,2|O<2>}	H(CC[6]C)	114.9000	2.055	2	116.0450	6.044	3	116.8195	3.238	51	116.8122	3.000	60	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:2:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C-3:	C(C[6]C[6]O[6]H)(CHH)(H)	C[6](C[6]C[6]HH)(O[6]P[6])(CCH)(H)	H(CC[6]C)	C(C[6]C[6]O[6]H)(CHH)(H)	C[6](C[6]C[6]HH)(O[6]P[6])(CCH)(H){1|C<3>,1|H<1>,1|O<1>,2|O<2>}	H(CC[6]C)	118.3350	0.000	1	116.0450	6.044	3	116.8195	3.238	51	116.8122	3.000	60	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:2:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C-3:	C(C[6]C[6]O[6]H)(CHH)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCH)(H)	H(CC[6]C)	C(C[6]C[6]O[6]H)(CHH)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCH)(H){2|C<4>,3|H<1>}	H(CC[6]C)	117.7050	0.000	1	117.2080	0.494	2	116.8195	3.238	51	116.8122	3.000	60	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:2:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C-3:	C(C[6]C[6]O[6]H)(CHH)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCH)(H)	H(CC[6]C)	C(C[6]C[6]O[6]H)(CHH)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCH)(H){2|H<1>,3|C<4>}	H(CC[6]C)	116.7110	0.000	1	117.2080	0.494	2	116.8195	3.238	51	116.8122	3.000	60	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:2:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C-3:	C(C[6]C[6]O[6]H)(CHH)(H)	C[6](C[6]N[6]HH)(O[6]C[6])(CCH)(H)	H(CC[6]C)	C(C[6]C[6]O[6]H)(CHH)(H)	C[6](C[6]N[6]HH)(O[6]C[6])(CCH)(H){1|C<4>,1|O<1>,1|S<4>}	H(CC[6]C)	118.1820	0.000	1	116.8530	3.007	5	116.8195	3.238	51	116.8122	3.000	60	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:2:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C-3:	C(C[6]C[6]O[6]H)(CHH)(H)	C[6](C[6]N[6]HH)(O[6]C[6])(CCH)(H)	H(CC[6]C)	C(C[6]C[6]O[6]H)(CHH)(H)	C[6](C[6]N[6]HH)(O[6]C[6])(CCH)(H){1|S<4>,2|C<3>}	H(CC[6]C)	116.5208	1.809	4	116.8530	3.007	5	116.8195	3.238	51	116.8122	3.000	60	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:2:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C-3:	C(C[6]C[6]O[6]H)(CHI)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H)	H(CC[6]C)	C(C[6]C[6]O[6]H)(CHI)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H){2|C<4>,3|H<1>}	H(CC[6]C)	117.6440	0.065	2	117.6440	0.004	2	116.8195	3.238	51	116.8122	3.000	60	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:2:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C-3:	C(C[6]C[6]O[6]H)(CHO)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H)	H(CC[6]C)	C(C[6]C[6]O[6]H)(CHO)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(CC[6]C)	115.6660	0.000	1	115.6660	0.000	1	116.8195	3.238	51	116.8122	3.000	60	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:2:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:H-1:	C-3:	C(C[6]C[6]O[6]H)(CHS)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H)	H(CC[6]C)	C(C[6]C[6]O[6]H)(CHS)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(CC[6]C)	117.4210	0.000	1	117.4210	0.000	1	116.8195	3.238	51	116.8122	3.000	60	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:2:3:1:	3:	C[6]-4:C-3:H-1:	P[6]-4:O[6]-2:C-3:H-1:	C-3:	C(C[6]O[6]P[6]H)(CC[6a]H)(H)	C[6](P[6]C[6a]2C[6])(O[6]B[6])(CCH)(H)	H(CC[6]C)	C(C[6]O[6]P[6]H)(CC[6a]H)(H)	C[6](P[6]C[6a]2C[6])(O[6]B[6])(CCH)(H){1|C<4>,2|H<1>,6|C<3>}	H(CC[6]C)	118.9440	0.000	1	118.9440	0.000	1	118.9440	0.000	1	116.8122	3.000	60	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:2:3:3:	3:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-3:C-3:	C-3:	C(C[6]C[6]O[6]C)(CC[6a]H)(H)	C[6](C[6]C[6]ClH)(O[6]C[6])(CCH)(COO)	H(CC[6]C)	C(C[6]C[6]O[6]C)(CC[6a]H)(H)	C[6](C[6]C[6]ClH)(O[6]C[6])(CCH)(COO){1|O<1>,2|C<3>}	H(CC[6]C)	117.5940	0.000	1	117.5940	0.000	1	117.5940	0.000	1	117.5940	0.000	1	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:2:4:3:	3:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-4:C-3:	C-3:	C(C[6]C[6]O[6]C)(CCC)(H)	C[6](C[6]C[6,6]HH)(O[6]C[5,6])(CH3)(CCH)	H(CC[6]C)	C(C[6]C[6]O[6]C)(CCC)(H)	C[6](C[6]C[6,6]HH)(O[6]C[5,6])(CH3)(CCH){2|C<3>,2|C<4>}	H(CC[6]C)	115.9600	0.000	1	115.9600	0.000	1	115.8247	3.051	10	115.8247	3.051	10	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:2:4:3:	3:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-4:C-3:	C-3:	C(C[6]C[6]O[6]C)(CCH)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(CCH)	H(CC[6]C)	C(C[6]C[6]O[6]C)(CCH)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCCH)(CCH){2|C<4>,3|H<1>}	H(CC[6]C)	118.6360	0.000	1	118.6360	0.000	1	115.8247	3.051	10	115.8247	3.051	10	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:2:4:3:	3:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-4:C-3:	C-3:	C(C[6]C[6]O[6]C)(CCH)(H)	C[6](C[6]O[6]HH)(O[6]O[6])(CH3)(CCH)	H(CC[6]C)	C(C[6]C[6]O[6]C)(CCH)(H)	C[6](C[6]O[6]HH)(O[6]O[6])(CH3)(CCH){1|C<4>}	H(CC[6]C)	112.7380	0.000	1	112.7380	0.000	1	115.8247	3.051	10	115.8247	3.051	10	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:2:4:3:	3:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-4:C-3:	C-3:	C(C[6]C[6]O[6]C)(CHH)(H)	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(CH3)(CCH)	H(CC[6]C)	C(C[6]C[6]O[6]C)(CHH)(H)	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(CH3)(CCH){1|H<1>,1|O<2>,3|C<4>}	H(CC[6]C)	116.2810	0.000	1	116.2810	0.000	1	115.8247	3.051	10	115.8247	3.051	10	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:2:4:3:	3:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-4:C-3:	C-3:	C(C[6]C[6]O[6]C)(CHH)(H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(CCH)	H(CC[6]C)	C(C[6]C[6]O[6]C)(CHH)(H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(CCH){1|H<1>,1|O<2>,3|C<4>}	H(CC[6]C)	116.8920	0.000	1	115.7720	1.957	6	115.8247	3.051	10	115.8247	3.051	10	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:2:4:3:	3:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-4:C-3:	C-3:	C(C[6]C[6]O[6]C)(CHH)(H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(CCH)	H(CC[6]C)	C(C[6]C[6]O[6]C)(CHH)(H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(CCH){1|O<1>,3|C<4>}	H(CC[6]C)	116.4440	0.000	1	115.7720	1.957	6	115.8247	3.051	10	115.8247	3.051	10	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:2:4:3:	3:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-4:C-3:	C-3:	C(C[6]C[6]O[6]C)(CHH)(H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(CCH)	H(CC[6]C)	C(C[6]C[6]O[6]C)(CHH)(H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)(CCH){2|H<1>,3|C<4>}	H(CC[6]C)	115.3240	1.557	4	115.7720	1.957	6	115.8247	3.051	10	115.8247	3.051	10	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:3:1:	3:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6,6a]-3:C-3:H-1:	C-3:	C(C[6]C[6,6a]C[5,6]H)(CHH)(H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6a]C[5,6]H)(CHH)(H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(CCH)(H){2|H<1>,2|N<3>,4|C<3>}	H(CC[6]C)	118.4090	0.000	1	118.4090	0.000	1	118.5130	0.022	2	117.0209	1.914	81	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:3:1:	3:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6,6a]-3:C-3:H-1:	C-3:	C(C[6]C[6,6a]C[5,6]H)(CHH)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6a]C[5,6]H)(CHH)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(CCH)(H){1|O<1>,2|H<1>,2|N<3>,5|C<3>}	H(CC[6]C)	118.6170	0.000	1	118.6170	0.000	1	118.5130	0.022	2	117.0209	1.914	81	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:3:1:	3:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C-3:	C(C[6]C[5,6]C[6]H)(CCC)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CCH)(H)	H(CC[6]C)	C(C[6]C[5,6]C[6]H)(CCC)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CCH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	H(CC[6]C)	116.8440	0.090	3	116.8440	0.008	3	117.1328	0.519	16	117.0209	1.914	81	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:3:1:	3:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C-3:	C(C[6]C[5,6]C[6]H)(CCC)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(CCH)(H)	H(CC[6]C)	C(C[6]C[5,6]C[6]H)(CCC)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(CCH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	H(CC[6]C)	117.2448	0.335	4	117.2448	0.112	4	117.1328	0.519	16	117.0209	1.914	81	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:3:1:	3:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C-3:	C(C[6]C[5,6]C[6]H)(CCC)(H)	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]H)(CCH)(H)	H(CC[6]C)	C(C[6]C[5,6]C[6]H)(CCC)(H)	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]H)(CCH)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(CC[6]C)	115.5490	0.000	1	115.5490	0.000	1	117.1328	0.519	16	117.0209	1.914	81	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:3:1:	3:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C-3:	C(C[6]C[5,6]C[6]H)(CCH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CCH)(H)	H(CC[6]C)	C(C[6]C[5,6]C[6]H)(CCH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CCH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	H(CC[6]C)	117.5413	0.507	4	117.5413	0.257	4	117.1328	0.519	16	117.0209	1.914	81	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:3:1:	3:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C-3:	C(C[6]C[5,6]C[6]H)(CCH)(H)	C[6](C[5,6]C[5]2N[6])(C[6]C[6]O)(CCH)(H)	H(CC[6]C)	C(C[6]C[5,6]C[6]H)(CCH)(H)	C[6](C[5,6]C[5]2N[6])(C[6]C[6]O)(CCH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(CC[6]C)	115.7490	0.000	1	115.7490	0.000	1	117.1328	0.519	16	117.0209	1.914	81	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:3:1:	3:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C-3:	C(C[6]C[5,6]C[6]H)(CC[5]H)(H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]H)(CCH)(H)	H(CC[6]C)	C(C[6]C[5,6]C[6]H)(CC[5]H)(H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]H)(CCH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(CC[6]C)	117.4880	0.000	1	117.4880	0.000	1	117.1328	0.519	16	117.0209	1.914	81	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:3:1:	3:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-3:C-3:H-1:	C-3:	C(C[6]C[5,6]C[6]H)(CC[6a]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CCH)(H)	H(CC[6]C)	C(C[6]C[5,6]C[6]H)(CC[6a]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CCH)(H){1|C<4>,2|C<3>,3|H<1>}	H(CC[6]C)	117.8310	0.407	2	117.8310	0.166	2	117.1328	0.519	16	117.0209	1.914	81	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-3:C-3:H-1:	C-3:	C(C[6]C[6,6]C[6]H)(CCC)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]C)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6]C[6]H)(CCC)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]C)(CCH)(H){1|N<3>,4|C<4>,5|H<1>}	H(CC[6]C)	112.9450	0.000	1	112.9450	0.000	1	117.5470	2.329	13	117.0209	1.914	81	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-3:C-3:H-1:	C-3:	C(C[6]C[6,6]C[6]H)(CCH)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6]C[6]H)(CCH)(H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]O)(CCH)(H){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	H(CC[6]C)	116.9205	0.008	2	116.9205	0.000	2	117.5470	2.329	13	117.0209	1.914	81	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-3:C-3:H-1:	C-3:	C(C[6]C[6,6]C[6]H)(CCO)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6]C[6]H)(CCO)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCH)(H){3|C<4>,5|H<1>}	H(CC[6]C)	118.8300	0.000	1	118.8300	0.000	1	117.5470	2.329	13	117.0209	1.914	81	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-3:C-3:H-1:	C-3:	C(C[6]C[6,6]C[6]H)(CC[5]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6]C[6]H)(CC[5]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCH)(H){1|C<3>,2|C<4>,5|H<1>}	H(CC[6]C)	118.8850	0.000	1	118.2520	0.220	6	117.5470	2.329	13	117.0209	1.914	81	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-3:C-3:H-1:	C-3:	C(C[6]C[6,6]C[6]H)(CC[5]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6]C[6]H)(CC[5]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCH)(H){3|C<4>,5|H<1>}	H(CC[6]C)	118.1254	0.393	5	118.2520	0.220	6	117.5470	2.329	13	117.0209	1.914	81	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-3:C-3:H-1:	C-3:	C(C[6]C[6,6]C[6]H)(CC[5a]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6]C[6]H)(CC[5a]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCH)(H){1|C<3>,2|C<4>,4|H<1>}	H(CC[6]C)	117.5900	0.000	1	117.5900	0.000	1	117.5470	2.329	13	117.0209	1.914	81	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-3:C-3:H-1:	C-3:	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCH)(H){1|C<3>,2|C<4>,5|H<1>}	H(CC[6]C)	118.0220	0.000	1	117.6965	0.212	2	117.5470	2.329	13	117.0209	1.914	81	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-3:C-3:H-1:	C-3:	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCH)(H){3|C<4>,5|H<1>}	H(CC[6]C)	117.3710	0.000	1	117.6965	0.212	2	117.5470	2.329	13	117.0209	1.914	81	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6]-4:N[6]-3:C-3:H-1:	C-3:	C(C[6]C[6,6]N[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6]N[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(CCH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(CC[6]C)	116.0230	0.000	1	116.0230	0.000	1	116.9520	1.726	2	117.0209	1.914	81	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6]-4:N[6]-3:C-3:H-1:	C-3:	C(C[6]C[6,6]N[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]S[6]H)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6]N[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]S[6]H)(CCH)(H){1|N<3>,2|C<4>,2|O<1>,3|H<1>}	H(CC[6]C)	117.8810	0.000	1	117.8810	0.000	1	116.9520	1.726	2	117.0209	1.914	81	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:Cl-1:	C-3:	C(C[6]C[6]2Cl)(CCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCH)(Cl)	H(CC[6]C)	C(C[6]C[6]2Cl)(CCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCH)(Cl){1|C<4>,1|H<1>,2|C<3>}	H(CC[6]C)	115.9030	0.000	1	115.9030	0.000	1	115.9030	0.000	1	117.0209	1.914	81	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCH)(H){1|C<3>,1|C<4>,2|H<1>}	H(CC[6]C)	117.0820	0.000	1	117.0820	0.000	1	116.5795	2.415	31	117.0209	1.914	81	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(CC[6]C)	116.4820	0.000	1	116.4820	0.000	1	116.5795	2.415	31	117.0209	1.914	81	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(CCH)(H){1|C<4>,2|C<3>,2|H<1>}	H(CC[6]C)	118.6440	0.000	1	118.6440	0.000	1	116.5795	2.415	31	117.0209	1.914	81	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[5,6]HH)(C[6]O[6]C)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[5,6]HH)(C[6]O[6]C)(CCH)(H){1|C<3>,1|C<4>}	H(CC[6]C)	119.3747	0.427	3	119.3747	0.182	3	116.5795	2.415	31	117.0209	1.914	81	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(CCH)(H){2|C<4>,2|H<1>}	H(CC[6]C)	117.1305	0.155	2	117.1305	0.024	2	116.5795	2.415	31	117.0209	1.914	81	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(CCH)(H){1|C<3>,1|H<1>,2|C<4>}	H(CC[6]C)	115.2880	0.000	1	115.2880	0.000	1	116.5795	2.415	31	117.0209	1.914	81	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CCH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(CC[6]C)	115.3600	0.000	1	115.3600	0.000	1	116.5795	2.415	31	117.0209	1.914	81	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCH)(H){1|C<3>,3|H<1>}	H(CC[6]C)	116.8275	0.172	4	116.8275	0.030	4	116.5795	2.415	31	117.0209	1.914	81	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(CCH)(H){1|Cl<1>,1|C<4>,2|C<3>}	H(CC[6]C)	116.1470	0.000	1	116.1470	0.000	1	116.5795	2.415	31	117.0209	1.914	81	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(CC[6]C)	115.2455	0.514	2	115.2455	0.264	2	116.5795	2.415	31	117.0209	1.914	81	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCH)(H){2|C<4>,2|H<1>}	H(CC[6]C)	115.7260	0.000	1	115.7260	0.000	1	116.5795	2.415	31	117.0209	1.914	81	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(CCH)(H){1|C<4>,2|H<1>,3|C<3>}	H(CC[6]C)	115.9555	0.264	2	115.9555	0.070	2	116.5795	2.415	31	117.0209	1.914	81	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(CCH)(H){1|H<1>,6|C<3>}	H(CC[6]C)	114.8575	1.684	2	114.8575	2.835	2	116.5795	2.415	31	117.0209	1.914	81	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(CCH)(H){1|C<3>,1|C<4>,2|H<1>}	H(CC[6]C)	115.7140	0.000	1	115.7140	0.000	1	116.5795	2.415	31	117.0209	1.914	81	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]O[6]HH)(C[6]C[6]C)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]O[6]HH)(C[6]C[6]C)(CCH)(H){1|C<4>,2|H<1>}	H(CC[6]C)	118.9700	0.000	1	118.9700	0.000	1	116.5795	2.415	31	117.0209	1.914	81	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]OO)(C[6]C[6]H)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]OO)(C[6]C[6]H)(CCH)(H){1|C<4>,3|H<1>}	H(CC[6]C)	117.8010	0.000	1	117.8010	0.000	1	116.5795	2.415	31	117.0209	1.914	81	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CCH)(H){1|H<1>,3|C<4>}	H(CC[6]C)	117.6990	0.000	1	116.9585	1.097	2	116.5795	2.415	31	117.0209	1.914	81	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CCH)(H){2|C<4>,2|H<1>}	H(CC[6]C)	116.2180	0.000	1	116.9585	1.097	2	116.5795	2.415	31	117.0209	1.914	81	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CCH)(H){1|Cl<1>,1|C<3>,1|C<4>}	H(CC[6]C)	115.1370	0.000	1	115.1370	0.000	1	116.5795	2.415	31	117.0209	1.914	81	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(CCH)(H){1|C<3>,1|C<4>,1|H<1>}	H(CC[6]C)	115.4190	0.000	1	115.4190	0.000	1	116.5795	2.415	31	117.0209	1.914	81	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)(H){1|C<4>,3|H<1>}	H(CC[6]C)	117.3840	0.000	1	115.2320	9.262	2	116.5795	2.415	31	117.0209	1.914	81	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)(H){2|C<4>,2|H<1>}	H(CC[6]C)	113.0800	0.000	1	115.2320	9.262	2	116.5795	2.415	31	117.0209	1.914	81	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C-3:	C(C[6]C[6]N[6]H)(CCC)(H)	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]N[6]H)(CCC)(H)	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCH)(H){1|O<1>,1|O<2>,2|H<1>}	H(CC[6]C)	117.7105	0.186	2	117.7105	0.035	2	117.2289	1.794	16	117.0209	1.914	81	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C-3:	C(C[6]C[6]N[6]H)(CCH)(H)	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]N[6]H)(CCH)(H)	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCH)(H){1|O<1>,1|O<2>,2|H<1>}	H(CC[6]C)	116.9165	0.315	2	116.9165	0.099	2	117.2289	1.794	16	117.0209	1.914	81	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C-3:	C(C[6]C[6]N[6]H)(CCH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]N[6]H)(CCH)(H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(CCH)(H){1|C<4>,4|H<1>}	H(CC[6]C)	113.2080	0.000	1	113.2080	0.000	1	117.2289	1.794	16	117.0209	1.914	81	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C-3:	C(C[6]C[6]N[6]H)(CC[6a]H)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]N[6]H)(CC[6a]H)(H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(CCH)(H){1|O<1>,2|C<3>}	H(CC[6]C)	119.4720	0.000	1	119.4720	0.000	1	117.2289	1.794	16	117.0209	1.914	81	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C-3:	C(C[6]C[6]N[6]H)(CC[6a]H)(H)	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]N[6]H)(CC[6a]H)(H)	C[6](C[6]C[6]BrH)(N[6]C[6]S)(CCH)(H){1|O<1>,1|O<2>,2|H<1>}	H(CC[6]C)	116.7720	0.000	1	116.7720	0.000	1	117.2289	1.794	16	117.0209	1.914	81	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C-3:	C(C[6]C[6]N[6]H)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]N[6]H)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CCH)(H){1|C<3>,1|C<4>,3|H<1>}	H(CC[6]C)	117.3010	0.000	1	117.3010	0.000	1	117.2289	1.794	16	117.0209	1.914	81	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C-3:	C(C[6]C[6]N[6]H)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]N[6]H)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCH)(H){1|C<4>,1|O<1>,2|H<1>}	H(CC[6]C)	116.9500	0.000	1	116.9500	0.000	1	117.2289	1.794	16	117.0209	1.914	81	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C-3:	C(C[6]C[6]N[6]H)(CC[6a]H)(H)	C[6](C[6]C[6]HI)(N[6]C[6]S)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]N[6]H)(CC[6a]H)(H)	C[6](C[6]C[6]HI)(N[6]C[6]S)(CCH)(H){1|N<3>,1|O<1>,2|H<1>}	H(CC[6]C)	117.3890	0.000	1	117.3890	0.000	1	117.2289	1.794	16	117.0209	1.914	81	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C-3:	C(C[6]C[6]N[6]H)(CHH)(H)	C[6](C[6]C[5,6]HH)(N[6]S[6]H)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]N[6]H)(CHH)(H)	C[6](C[6]C[5,6]HH)(N[6]S[6]H)(CCH)(H){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	H(CC[6]C)	116.8420	0.000	1	116.8420	0.000	1	117.2289	1.794	16	117.0209	1.914	81	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C-3:	C(C[6]C[6]N[6]H)(CHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]N[6]H)(CHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(CC[6]C)	117.1970	0.543	2	117.5400	0.964	4	117.2289	1.794	16	117.0209	1.914	81	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C-3:	C(C[6]C[6]N[6]H)(CHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]N[6]H)(CHH)(H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(CCH)(H){1|H<1>,1|O<1>,2|C<4>}	H(CC[6]C)	117.8830	1.458	2	117.5400	0.964	4	117.2289	1.794	16	117.0209	1.914	81	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:C-3:H-1:	C-3:	C(C[6]C[6]N[6]H)(CHH)(H)	C[6](C[6]C[6]HH)(N[6]S[6]H)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]N[6]H)(CHH)(H)	C[6](C[6]C[6]HH)(N[6]S[6]H)(CCH)(H){1|C<4>,1|H<1>,1|O<2>,2|O<1>}	H(CC[6]C)	118.3150	0.000	1	118.3150	0.000	1	117.2289	1.794	16	117.0209	1.914	81	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:3:2:	3:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-3:C-3:O-2:	C-3:	C(C[6]C[6,6]C[6]O)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CCH)(OH)	H(CC[6]C)	C(C[6]C[6,6]C[6]O)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CCH)(OH){3|C<4>,5|H<1>}	H(CC[6]C)	117.9130	0.000	1	117.9130	0.000	1	117.9130	0.000	1	117.9130	0.000	1	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:3:3:	3:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-3:C-3:C-3:	C-3:	C(C[6]C[6,6]C[6]C)(CCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O)(CCH)(COO)	H(CC[6]C)	C(C[6]C[6,6]C[6]C)(CCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O)(CCH)(COO){3|C<4>,5|H<1>}	H(CC[6]C)	115.9790	0.000	1	115.9790	0.000	1	115.9790	0.000	1	115.9790	0.000	1	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:4:3:	3:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-3:C-4:C-3:	C-3:	C(C[6]C[5,6]C[6]C)(CCC)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CH3)(CCH)	H(CC[6]C)	C(C[6]C[5,6]C[6]C)(CCC)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CH3)(CCH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(CC[6]C)	113.8363	0.047	3	113.7032	0.072	4	113.7032	0.072	4	115.5438	4.940	21	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:4:3:	3:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-3:C-4:C-3:	C-3:	C(C[6]C[5,6]C[6]C)(CCC)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CH3)(CCH)	H(CC[6]C)	C(C[6]C[5,6]C[6]C)(CCC)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(CH3)(CCH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(CC[6]C)	113.3040	0.000	1	113.7032	0.072	4	113.7032	0.072	4	115.5438	4.940	21	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:4:3:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C-3:	C(C[6]C[6]2C)(CCC)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(CH3)(CCH)	H(CC[6]C)	C(C[6]C[6]2C)(CCC)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(CH3)(CCH){2|C<4>,2|H<1>}	H(CC[6]C)	113.3600	0.000	1	113.3600	0.000	1	116.3537	2.881	16	115.5438	4.940	21	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:4:3:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C-3:	C(C[6]C[6]2C)(CCC)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)(CCH)	H(CC[6]C)	C(C[6]C[6]2C)(CCC)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)(CCH){2|C<4>,3|C<3>}	H(CC[6]C)	113.9450	0.000	1	113.9450	0.000	1	116.3537	2.881	16	115.5438	4.940	21	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:4:3:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C-3:	C(C[6]C[6]2C)(CCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3)(CCH)	H(CC[6]C)	C(C[6]C[6]2C)(CCH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	H(CC[6]C)	120.8510	0.000	1	120.8510	0.000	1	116.3537	2.881	16	115.5438	4.940	21	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:4:3:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C-3:	C(C[6]C[6]2C)(CCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(CCH)	H(CC[6]C)	C(C[6]C[6]2C)(CCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)(CCH){1|C<3>,2|C<4>,2|H<1>}	H(CC[6]C)	116.6445	0.080	2	116.6445	0.006	2	116.3537	2.881	16	115.5438	4.940	21	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:4:3:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C-3:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3)(CCH)	H(CC[6]C)	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(CH3)(CCH){1|H<1>,3|C<4>}	H(CC[6]C)	115.0460	0.000	1	115.0460	0.000	1	116.3537	2.881	16	115.5438	4.940	21	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:4:3:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C-3:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]O)(CH3)(CCH)	H(CC[6]C)	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]O)(CH3)(CCH){1|C<3>,1|C<4>,3|H<1>}	H(CC[6]C)	116.8350	0.000	1	116.8350	0.000	1	116.3537	2.881	16	115.5438	4.940	21	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:4:3:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C-3:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6]ClH)(C[6]C[4,6]O)(CH3)(CCH)	H(CC[6]C)	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6]ClH)(C[6]C[4,6]O)(CH3)(CCH){2|C<4>,3|H<1>}	H(CC[6]C)	116.5965	0.821	2	116.5965	0.674	2	116.3537	2.881	16	115.5438	4.940	21	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:4:3:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C-3:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6]ClH)(C[6]C[5,6]N)(CH3)(CCH)	H(CC[6]C)	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6]ClH)(C[6]C[5,6]N)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	H(CC[6]C)	115.2410	0.000	1	115.2410	0.000	1	116.3537	2.881	16	115.5438	4.940	21	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:4:3:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C-3:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6]ClH)(C[6]C[6,6]O)(CH3)(CCH)	H(CC[6]C)	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6]ClH)(C[6]C[6,6]O)(CH3)(CCH){2|C<4>,3|H<1>}	H(CC[6]C)	117.8630	0.000	1	117.8630	0.000	1	116.3537	2.881	16	115.5438	4.940	21	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:4:3:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C-3:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]O)(CH3)(CCH)	H(CC[6]C)	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]O)(CH3)(CCH){1|C<3>,1|C<4>,3|H<1>}	H(CC[6]C)	115.2610	0.000	1	115.2610	0.000	1	116.3537	2.881	16	115.5438	4.940	21	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:4:3:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C-3:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(CCH)	H(CC[6]C)	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	H(CC[6]C)	116.8910	0.000	1	116.8910	0.000	1	116.3537	2.881	16	115.5438	4.940	21	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:4:3:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C-3:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[5,6]O)(CH3)(CCH)	H(CC[6]C)	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[5,6]O)(CH3)(CCH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(CC[6]C)	116.3800	0.000	1	116.3800	0.000	1	116.3537	2.881	16	115.5438	4.940	21	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:4:3:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C-3:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]O)(CH3)(CCH)	H(CC[6]C)	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]O)(CH3)(CCH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(CC[6]C)	116.8080	0.000	1	116.8080	0.000	1	116.3537	2.881	16	115.5438	4.940	21	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:4:3:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:C-3:	C-3:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]Cl)(CH3)(CCH)	H(CC[6]C)	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]Cl)(CH3)(CCH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(CC[6]C)	116.6960	0.000	1	116.6960	0.000	1	116.3537	2.881	16	115.5438	4.940	21	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:3:4:3:	3:	C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:C-4:C-3:	C-3:	C(C[6]C[6]N[6]C)(CHS)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(CCH)	H(CC[6]C)	C(C[6]C[6]N[6]C)(CHS)(H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(CH3)(CCH){1|C<4>,1|O<1>,2|H<1>}	H(CC[6]C)	109.9480	0.000	1	109.9480	0.000	1	109.9480	0.000	1	115.5438	4.940	21	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[3,6]-4:C[5,6]-4:C-3:H-1:	C-3:	C(C[6]C[3,6]C[5,6]H)(CCH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]C)(CCH)(H)	H(CC[6]C)	C(C[6]C[3,6]C[5,6]H)(CCH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]C)(CCH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	H(CC[6]C)	118.2618	0.143	4	118.2618	0.020	4	118.2618	0.020	4	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[3,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[3,6]C[6]H)(CCC)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCH)(H)	H(CC[6]C)	C(C[6]C[3,6]C[6]H)(CCC)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCH)(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	H(CC[6]C)	113.9300	0.192	2	115.3260	5.865	3	116.3356	4.844	5	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[3,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[3,6]C[6]H)(CCC)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCH)(H)	H(CC[6]C)	C(C[6]C[3,6]C[6]H)(CCC)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCH)(H){1|O<2>,2|H<1>,6|C<4>}	H(CC[6]C)	118.1180	0.000	1	115.3260	5.865	3	116.3356	4.844	5	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[3,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[3,6]C[6]H)(CHH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCH)(H)	H(CC[6]C)	C(C[6]C[3,6]C[6]H)(CHH)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5]C[6]O)(CCH)(H){1|O<2>,2|H<1>,6|C<4>}	H(CC[6]C)	117.8790	0.000	1	117.8790	0.000	1	116.3356	4.844	5	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[3,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[3,6]C[6]H)(CHH)(H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[5]C[6]O)(CCH)(H)	H(CC[6]C)	C(C[6]C[3,6]C[6]H)(CHH)(H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[5]C[6]O)(CCH)(H){1|O<2>,3|H<1>,6|C<4>}	H(CC[6]C)	117.8210	0.000	1	117.8210	0.000	1	116.3356	4.844	5	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[3x6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[3x6]C[6]H)(CHH)(H)	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]HH)(CCH)(H)	H(CC[6]C)	C(C[6]C[3x6]C[6]H)(CHH)(H)	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]HH)(CCH)(H){1|B<4>,1|C<3>,2|C<4>,7|H<1>}	H(CC[6]C)	117.5880	0.000	1	117.5880	0.000	1	117.5880	0.000	1	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[5,6,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[5,6,6]C[6]H)(CCH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]O[6]CC)(CCH)(H)	H(CC[6]C)	C(C[6]C[5,6,6]C[6]H)(CCH)(H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]O[6]CC)(CCH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(CC[6]C)	117.8710	0.000	1	117.8710	0.000	1	117.8710	0.000	1	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6,6]-4:C-3:H-1:	C-3:	C(C[6]C[5,6]C[6,6]H)(CC[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(CCH)(H)	H(CC[6]C)	C(C[6]C[5,6]C[6,6]H)(CC[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(CCH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(CC[6]C)	115.2570	0.000	1	115.2570	0.000	1	115.2570	0.000	1	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[5,6]C[6]H)(CCH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(CCH)(H)	H(CC[6]C)	C(C[6]C[5,6]C[6]H)(CCH)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(CCH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(CC[6]C)	118.0470	0.000	1	118.0470	0.000	1	117.1180	1.110	18	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[5,6]C[6]H)(CCH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(CCH)(H)	H(CC[6]C)	C(C[6]C[5,6]C[6]H)(CCH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(CCH)(H){1|C<3>,3|C<4>,4|H<1>}	H(CC[6]C)	114.6100	0.000	1	114.6100	0.000	1	117.1180	1.110	18	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[5,6]C[6]H)(CCH)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(CCH)(H)	H(CC[6]C)	C(C[6]C[5,6]C[6]H)(CCH)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HO)(CCH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(CC[6]C)	118.9680	0.000	1	118.9680	0.000	1	117.1180	1.110	18	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[5,6]C[6]H)(CCH)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CCH)(H)	H(CC[6]C)	C(C[6]C[5,6]C[6]H)(CCH)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CCH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(CC[6]C)	117.5785	0.822	2	117.5785	0.676	2	117.1180	1.110	18	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[5,6]C[6]H)(CC[6a]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCH)(H)	H(CC[6]C)	C(C[6]C[5,6]C[6]H)(CC[6a]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(CC[6]C)	117.0655	0.443	2	117.0655	0.197	2	117.1180	1.110	18	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[5,6]C[6]H)(CCl2)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CCH)(H)	H(CC[6]C)	C(C[6]C[5,6]C[6]H)(CCl2)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(CCH)(H){1|C<3>,2|C<4>,3|H<1>}	H(CC[6]C)	116.8270	0.000	1	116.8270	0.000	1	117.1180	1.110	18	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[5,6]C[6]H)(CHH)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(CCH)(H)	H(CC[6]C)	C(C[6]C[5,6]C[6]H)(CHH)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(CCH)(H){1|C<3>,3|C<4>,3|H<1>}	H(CC[6]C)	115.9160	0.000	1	115.9160	0.000	1	117.1180	1.110	18	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[5,6]C[6]H)(CHH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]C[6]O)(CCH)(H)	H(CC[6]C)	C(C[6]C[5,6]C[6]H)(CHH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]C[6]O)(CCH)(H){1|N<2>,1|N<3>,2|H<1>,6|C<4>}	H(CC[6]C)	117.7055	0.176	4	117.7055	0.031	4	117.1180	1.110	18	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[5,6]C[6]H)(CHH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH)(H)	H(CC[6]C)	C(C[6]C[5,6]C[6]H)(CHH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH)(H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(CC[6]C)	117.9210	0.000	1	117.6220	0.179	2	117.1180	1.110	18	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[5,6]C[6]H)(CHH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH)(H)	H(CC[6]C)	C(C[6]C[5,6]C[6]H)(CHH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH)(H){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(CC[6]C)	117.3230	0.000	1	117.6220	0.179	2	117.1180	1.110	18	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[5,6]C[6]H)(CHH)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(CCH)(H)	H(CC[6]C)	C(C[6]C[5,6]C[6]H)(CHH)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(CCH)(H){1|N<4>,2|C<3>,2|C<4>,5|H<1>}	H(CC[6]C)	115.7760	0.000	1	115.7760	0.000	1	117.1180	1.110	18	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[5,6]C[6]H)(CHH)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CCH)(H)	H(CC[6]C)	C(C[6]C[5,6]C[6]H)(CHH)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CCH)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(CC[6]C)	116.6320	0.000	1	116.6320	0.000	1	117.1180	1.110	18	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[5,6]C[6]H)(CHH)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]N[6]HH)(CCH)(H)	H(CC[6]C)	C(C[6]C[5,6]C[6]H)(CHH)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]N[6]HH)(CCH)(H){2|C<3>,2|C<4>,3|H<1>}	H(CC[6]C)	115.9940	0.000	1	115.9940	0.000	1	117.1180	1.110	18	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6,6]C[6]H)(CCC)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6]C[6]H)(CCC)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(CCH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	H(CC[6]C)	120.0350	0.000	1	120.0350	0.000	1	116.9892	2.245	29	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6,6]C[6]H)(CCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3]C[6]O)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6]C[6]H)(CCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3]C[6]O)(CCH)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(CC[6]C)	118.0737	0.483	3	118.0737	0.233	3	116.9892	2.245	29	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6,6]C[6]H)(CCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6]C[6]H)(CCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CCH)(H){2|C<4>,3|C<3>,4|H<1>}	H(CC[6]C)	115.5180	0.000	1	115.5180	0.000	1	116.9892	2.245	29	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6,6]C[6]H)(CCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6]C[6]H)(CCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(CCH)(H){1|H<1>,2|C<3>,2|C<4>}	H(CC[6]C)	115.0540	0.000	1	115.0540	0.000	1	116.9892	2.245	29	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6,6]C[6]H)(CC[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6]C[6]H)(CC[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCH)(H){1|C<3>,2|C<4>,4|H<1>}	H(CC[6]C)	117.7050	0.000	2	117.7050	0.000	2	116.9892	2.245	29	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6,6]C[6]H)(CC[6a]2)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6]C[6]H)(CC[6a]2)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCH)(H){1|C<3>,3|C<4>,4|H<1>}	H(CC[6]C)	116.5050	0.000	1	116.5050	0.000	1	116.9892	2.245	29	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[5,3x6]P[6]H)(C[6]P[5,5,6]CH)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[5,3x6]P[6]H)(C[6]P[5,5,6]CH)(CCH)(H){1|O<2>,2|C<3>,2|W<6>,3|C<4>}	H(CC[6]C)	115.5230	0.000	1	115.5230	0.000	1	116.9892	2.245	29	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CO)(CCH)(H){3|C<4>,5|H<1>}	H(CC[6]C)	117.3460	0.362	3	117.3460	0.131	3	116.9892	2.245	29	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(CC[6]C)	118.6720	0.000	1	118.2410	0.372	2	116.9892	2.245	29	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CCH)(H){1|C<4>,2|C<3>,5|H<1>}	H(CC[6]C)	117.8100	0.000	1	118.2410	0.372	2	116.9892	2.245	29	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCH)(H){1|O<1>,2|H<1>,4|C<4>}	H(CC[6]C)	117.4645	0.162	2	117.4645	0.026	2	116.9892	2.245	29	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CCH)(H){3|C<4>,5|H<1>}	H(CC[6]C)	115.3660	0.000	1	115.3660	0.000	1	116.9892	2.245	29	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCH)(H){2|C<4>,2|H<1>,2|O<1>}	H(CC[6]C)	115.4090	2.404	2	116.0600	4.161	3	116.9892	2.245	29	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCH)(H){4|C<4>,4|H<1>}	H(CC[6]C)	117.3620	0.000	1	116.0600	4.161	3	116.9892	2.245	29	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCH)(H){1|O<1>,1|S<4>,2|C<4>,2|H<1>}	H(CC[6]C)	115.0880	0.000	1	115.0880	0.000	1	116.9892	2.245	29	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(CCH)(H){1|C<4>,2|C<3>,2|H<1>}	H(CC[6]C)	115.9850	0.000	1	115.9850	0.000	1	116.9892	2.245	29	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6,6a]2C[6])(C[6]O[6]HH)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6,6a]2C[6])(C[6]O[6]HH)(CCH)(H){1|O<1>,5|C<3>}	H(CC[6]C)	119.4070	0.000	1	119.4070	0.000	1	116.9892	2.245	29	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CCH)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	H(CC[6]C)	116.5900	0.000	1	116.5900	0.000	1	116.9892	2.245	29	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]HO)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]HO)(CCH)(H){1|O<2>,3|C<4>,7|H<1>}	H(CC[6]C)	117.6940	0.000	1	117.6940	0.000	1	116.9892	2.245	29	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6]3)(C[6]N[6]HH)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]C[6]3)(C[6]N[6]HH)(CCH)(H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	H(CC[6]C)	116.8220	0.000	1	116.8220	0.000	1	116.9892	2.245	29	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6]C[6]H)(CHH)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(CCH)(H){1|C<4>,2|C<3>,3|H<1>}	H(CC[6]C)	113.8400	0.000	1	113.8400	0.000	1	116.9892	2.245	29	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6,6]C[6]H)(CN[5]H)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CCH)(H)	H(CC[6]C)	C(C[6]C[6,6]C[6]H)(CN[5]H)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CCH)(H){1|N<2>,1|O<1>,2|C<4>,6|H<1>}	H(CC[6]C)	117.9990	0.000	1	117.9990	0.000	1	116.9892	2.245	29	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(CCH)(H){1|C<4>,2|H<1>,3|C<3>}	H(CC[6]C)	117.6425	0.313	4	117.6425	0.098	4	116.7791	2.413	76	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[5]C[6]O)(C[6]C[6]CH)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[5]C[6]O)(C[6]C[6]CH)(CCH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(CC[6]C)	113.2120	0.000	1	113.2120	0.000	1	116.7791	2.413	76	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(CCH)(H){2|C<3>,2|C<4>,2|H<1>}	H(CC[6]C)	118.5310	0.000	1	118.5310	0.000	1	116.7791	2.413	76	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[6]CH)2(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[6]CH)2(CCH)(H){1|C<3>,1|C<4>,2|H<1>}	H(CC[6]C)	116.9760	0.000	1	116.5175	0.420	2	116.7791	2.413	76	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[6]CH)2(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[6]CH)2(CCH)(H){1|O<2>,2|C<4>,2|H<1>}	H(CC[6]C)	116.0590	0.000	1	116.5175	0.420	2	116.7791	2.413	76	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[6]HH)2(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[6]HH)2(CCH)(H){1|C<4>,4|H<1>}	H(CC[6]C)	116.2190	0.429	5	116.2190	0.184	5	116.7791	2.413	76	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(H){1|C<4>,4|H<1>}	H(CC[6]C)	117.0960	0.000	1	117.0960	0.000	1	116.7791	2.413	76	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(CCH)(H){1|C<4>,2|C<3>,2|H<1>}	H(CC[6]C)	117.3260	0.000	1	117.3260	0.000	1	116.7791	2.413	76	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H){1|C<4>,2|C<3>,2|H<1>}	H(CC[6]C)	114.8990	0.000	1	115.5240	0.310	3	116.7791	2.413	76	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H){1|C<4>,4|H<1>}	H(CC[6]C)	115.7050	0.000	1	115.5240	0.310	3	116.7791	2.413	76	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H){2|C<4>,3|H<1>}	H(CC[6]C)	115.9680	0.000	1	115.5240	0.310	3	116.7791	2.413	76	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]HH)2(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]HH)2(CCH)(H){1|C<4>,4|H<1>}	H(CC[6]C)	117.1073	0.922	6	117.1073	0.850	6	116.7791	2.413	76	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(CCH)(H){1|C<3>,1|C<4>,2|H<1>}	H(CC[6]C)	115.7360	0.000	1	115.7360	0.000	1	116.7791	2.413	76	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]HO)2(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]HO)2(CCH)(H){1|H<1>,3|C<3>}	H(CC[6]C)	118.0220	0.000	1	118.0220	0.000	1	116.7791	2.413	76	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCH)(H){1|C<4>,1|H<1>,4|C<3>}	H(CC[6]C)	115.3300	0.000	1	115.8640	0.227	3	116.7791	2.413	76	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCH)(H){1|C<4>,2|H<1>,3|C<3>}	H(CC[6]C)	116.1310	0.164	2	115.8640	0.227	3	116.7791	2.413	76	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HO)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HO)(CCH)(H){1|C<4>,2|H<1>,3|C<3>}	H(CC[6]C)	115.7250	0.000	1	115.7250	0.000	1	116.7791	2.413	76	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CC[5a]H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CC[5a]H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(CCH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>}	H(CC[6]C)	113.8750	0.000	2	113.8750	0.000	2	116.7791	2.413	76	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CC[6a]2)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CC[6a]2)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCH)(H){2|C<4>,3|H<1>}	H(CC[6]C)	115.4190	0.000	1	115.4190	0.000	1	116.7791	2.413	76	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CC[6a]H)(H)	C[6](C[6]C[5,6]HH)2(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CC[6a]H)(H)	C[6](C[6]C[5,6]HH)2(CCH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(CC[6]C)	117.3600	0.000	1	117.3600	0.000	1	116.7791	2.413	76	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CC[6a]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CC[6a]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(CCH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(CC[6]C)	118.1610	0.000	1	118.1610	0.000	1	116.7791	2.413	76	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CC[6a]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CC[6a]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCH)(H){1|C<3>,1|C<4>,2|H<1>}	H(CC[6]C)	117.0515	0.344	2	117.0515	0.119	2	116.7791	2.413	76	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CC[6a]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CC[6a]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(CC[6]C)	117.8220	0.000	1	117.8220	0.000	1	116.7791	2.413	76	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(CC[6]C)	117.2927	1.697	4	117.2927	2.881	4	116.7791	2.413	76	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCH)(H){1|C<4>,4|H<1>}	H(CC[6]C)	117.5670	0.000	1	117.5670	0.000	1	116.7791	2.413	76	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CCH)(H){1|Cl<1>,1|C<4>,1|H<1>,1|S<4>}	H(CC[6]C)	117.6730	0.000	1	117.6730	0.000	1	116.7791	2.413	76	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CC[6a]H)(H)	C[6](C[6]C[6]HH)2(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CC[6a]H)(H)	C[6](C[6]C[6]HH)2(CCH)(H){1|C<4>,4|H<1>}	H(CC[6]C)	117.5020	0.191	2	117.5020	0.036	2	116.7791	2.413	76	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CC[6a]N)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CC[6a]N)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(H){1|H<1>,3|C<3>}	H(CC[6]C)	117.7870	0.000	1	117.7870	0.000	1	116.7791	2.413	76	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CC[6a]N)(H)	C[6](C[6]C[6]HH)2(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CC[6a]N)(H)	C[6](C[6]C[6]HH)2(CCH)(H){1|N<3>,4|H<1>}	H(CC[6]C)	116.2090	0.000	1	116.2090	0.000	1	116.7791	2.413	76	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CCH)(H){2|H<1>,3|C<4>}	H(CC[6]C)	117.9080	0.000	1	117.9080	0.000	1	116.7791	2.413	76	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[5]C[6]O)(C[6]C[6]CH)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[5]C[6]O)(C[6]C[6]CH)(CCH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(CC[6]C)	117.3110	0.000	1	117.4380	0.155	3	116.7791	2.413	76	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[5]C[6]O)(C[6]C[6]CH)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[5]C[6]O)(C[6]C[6]CH)(CCH)(H){1|O<1>,2|H<1>,4|C<4>}	H(CC[6]C)	117.5015	0.535	2	117.4380	0.155	3	116.7791	2.413	76	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CCH)(H){1|O<1>,2|H<1>,4|C<4>}	H(CC[6]C)	118.2170	0.000	1	118.2170	0.000	1	116.7791	2.413	76	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(CCH)(H){1|C<3>,1|H<1>,2|C<4>}	H(CC[6]C)	116.1720	0.000	1	116.1720	0.000	1	116.7791	2.413	76	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(CCH)(H){1|H<1>,2|C<3>}	H(CC[6]C)	117.7270	0.000	1	117.7270	0.000	1	116.7791	2.413	76	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(CCH)(H){2|C<3>}	H(CC[6]C)	114.9975	3.132	2	114.9975	9.808	2	116.7791	2.413	76	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CC)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CC)(CCH)(H){1|H<1>,1|O<2>,2|C<3>}	H(CC[6]C)	117.7317	0.135	3	117.7317	0.018	3	116.7791	2.413	76	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(CCH)(H){1|C<4>,1|O<2>,3|H<1>}	H(CC[6]C)	117.5190	0.000	1	117.5190	0.000	1	116.7791	2.413	76	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCH)(H){2|H<1>,3|C<4>}	H(CC[6]C)	117.0960	0.000	1	117.0960	0.000	1	116.7791	2.413	76	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCH)(H){1|C<4>,1|O<2>,3|H<1>}	H(CC[6]C)	117.3050	0.000	1	117.3050	0.000	1	116.7791	2.413	76	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(CCH)(H){1|C<3>,1|H<1>,1|O<2>}	H(CC[6]C)	113.9630	0.000	1	113.9630	0.000	1	116.7791	2.413	76	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]HO)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6]CH)(C[6]O[6]HO)(CCH)(H){2|C<3>}	H(CC[6]C)	118.7340	0.602	3	118.7340	0.362	3	116.7791	2.413	76	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6]CH)2(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6]CH)2(CCH)(H){1|C<3>,1|H<1>,1|O<1>}	H(CC[6]C)	116.2210	0.000	1	116.2210	0.000	1	116.7791	2.413	76	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(CCH)(H){1|C<4>,1|S<4>,2|H<1>}	H(CC[6]C)	117.4355	0.438	2	117.4355	0.192	2	116.7791	2.413	76	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(CCH)(H){1|C<4>,2|H<1>}	H(CC[6]C)	117.2710	0.000	1	117.2710	0.000	1	116.7791	2.413	76	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HO)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CHH)(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HO)(CCH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(CC[6]C)	118.1180	0.287	2	118.1180	0.082	2	116.7791	2.413	76	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CNN)(H)	C[6](C[6]C[6]HH)2(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CNN)(H)	C[6](C[6]C[6]HH)2(CCH)(H){1|C<4>,4|H<1>}	H(CC[6]C)	117.4040	0.000	1	117.4040	0.000	1	116.7791	2.413	76	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(COsC)(H)	C[6](C[6]C[6]HH)2(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(COsC)(H)	C[6](C[6]C[6]HH)2(CCH)(H){1|C<4>,4|H<1>}	H(CC[6]C)	109.7400	0.000	1	109.7400	0.000	1	116.7791	2.413	76	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CSeC)(H)	C[6](C[6]C[6]HH)2(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CSeC)(H)	C[6](C[6]C[6]HH)2(CCH)(H){1|C<4>,4|H<1>}	H(CC[6]C)	114.6740	0.000	1	114.6740	0.000	1	116.7791	2.413	76	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:N[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]N[6]H)(CC[6]H)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]N[6]H)(CC[6]H)(H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CCH)(H){2|C<4>,3|H<1>}	H(CC[6]C)	115.9850	0.000	1	115.9850	0.000	1	118.0677	3.263	3	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:N[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]N[6]H)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CCH)(H)	H(CC[6]C)	C(C[6]C[6]N[6]H)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CCH)(H){1|C<3>,1|C<4>,3|H<1>}	H(CC[6]C)	119.1090	0.140	2	119.1090	0.020	2	118.0677	3.263	3	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	P[5,5,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]P[5,5,6]C[6]H)(CCH)(H)	C[6](P[5,5,6]C[5,5,6,6]C[5,5,6]W)(C[6]C[6,6]CH)(CCH)(H)	H(CC[6]C)	C(C[6]P[5,5,6]C[6]H)(CCH)(H)	C[6](P[5,5,6]C[5,5,6,6]C[5,5,6]W)(C[6]C[6,6]CH)(CCH)(H){1|C<4>,1|P<4>,3|C<3>,3|H<1>}	H(CC[6]C)	115.0700	0.000	1	115.0700	0.000	1	115.0700	0.000	1	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C[4]-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(C[4]C[4]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC[4]H)(H)	H(CC[4]C[6])	C(C[6]C[6]2H)(C[4]C[4]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CC[4]H)(H){1|C<4>,4|H<1>}	H(CC[4]C[6])	116.4840	0.000	1	116.4840	0.000	1	116.4840	0.000	1	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C[5]-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(C[5]C[5]2)(H)	C[6](C[6]C[6]HH)2(CC[5]H)(H)	H(CC[5]C[6])	C(C[6]C[6]2H)(C[5]C[5]2)(H)	C[6](C[6]C[6]HH)2(CC[5]H)(H){1|C<4>,4|H<1>}	H(CC[5]C[6])	116.7510	0.000	1	116.7510	0.000	1	116.7510	0.000	1	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[5,6]C[6]H)(C[6]C[6]2)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[6]H)(H)	H(CC[6]2)	C(C[6]C[5,6]C[6]H)(C[6]C[6]2)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[6]H)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(CC[6]2)	114.6080	0.000	1	114.6080	0.000	1	114.6080	0.000	1	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]H)(H)	H(CC[6]2)	C(C[6]C[6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6]H)(H){1|C<4>,4|H<1>}	H(CC[6]2)	115.1390	0.000	1	115.1390	0.000	1	115.1390	0.000	1	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(NMoC)(H)	C[6](C[6]C[6]MoC)(C[6]C[6]CH)(CHN)(H)	H(CC[6]N)	C(C[6]C[6]2H)(NMoC)(H)	C[6](C[6]C[6]MoC)(C[6]C[6]CH)(CHN)(H){1|C<4>,1|H<1>,1|P<4>}	H(CC[6]N)	120.3680	0.000	1	120.3680	0.000	1	120.3680	0.000	1	116.9034	2.322	144	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:2:	3:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C-3:O-2:	C-3:	C(C[6]C[5,6]C[6]O)(CC[6a]H)(H)	C[6](C[5,6]S[5,6]C[5]H)(C[6]C[6]HH)(CCH)(OH)	H(CC[6]C)	C(C[6]C[5,6]C[6]O)(CC[6a]H)(H)	C[6](C[5,6]S[5,6]C[5]H)(C[6]C[6]HH)(CCH)(OH){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	H(CC[6]C)	117.3395	0.759	2	117.3395	0.576	2	117.3395	0.576	2	116.6416	1.215	15	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:2:	3:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:C-2:	C-3:	C(C[6]C[6,6]C[6]C)(CCH)(H)	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]CC)(CCH)(CN)	H(CC[6]C)	C(C[6]C[6,6]C[6]C)(CCH)(H)	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]CC)(CCH)(CN){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(CC[6]C)	115.0310	0.000	1	115.0310	0.000	1	115.0310	0.000	1	116.6416	1.215	15	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:2:	3:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:O-2:	C-3:	C(C[6]C[6,6]C[6]O)(CHH)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CCH)(OH)	H(CC[6]C)	C(C[6]C[6,6]C[6]O)(CHH)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(CCH)(OH){1|C<3>,3|C<4>,6|H<1>}	H(CC[6]C)	115.8310	0.000	1	115.8310	0.000	1	115.8310	0.000	1	116.6416	1.215	15	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:2:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C-3:	C(C[6]C[6]2O)(CCH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(OH)	H(CC[6]C)	C(C[6]C[6]2O)(CCH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(OH){1|C<4>,1|O<2>,3|H<1>}	H(CC[6]C)	116.4307	0.542	3	115.8255	1.660	4	116.7348	1.212	11	116.6416	1.215	15	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:2:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C-3:	C(C[6]C[6]2O)(CCH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(OH)	H(CC[6]C)	C(C[6]C[6]2O)(CCH)(H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCH)(OH){1|C<4>,4|H<1>}	H(CC[6]C)	114.0100	0.000	1	115.8255	1.660	4	116.7348	1.212	11	116.6416	1.215	15	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:2:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C-3:	C(C[6]C[6]2O)(CCH)(H)	C[6](C[6]C[6]ClC)(C[6]C[6]CC)(CCH)(OH)	H(CC[6]C)	C(C[6]C[6]2O)(CCH)(H)	C[6](C[6]C[6]ClC)(C[6]C[6]CC)(CCH)(OH){1|C<4>,4|H<1>}	H(CC[6]C)	117.2280	0.000	1	117.2280	0.000	1	116.7348	1.212	11	116.6416	1.215	15	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:2:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C-3:	C(C[6]C[6]2O)(CC[6a]H)(H)	C[6](C[6]C[6]CF)(C[6]C[6]HH)(CCH)(OH)	H(CC[6]C)	C(C[6]C[6]2O)(CC[6a]H)(H)	C[6](C[6]C[6]CF)(C[6]C[6]HH)(CCH)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(CC[6]C)	117.9310	0.000	1	117.9310	0.000	1	116.7348	1.212	11	116.6416	1.215	15	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:2:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C-3:	C(C[6]C[6]2O)(CHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCH)(OH)	H(CC[6]C)	C(C[6]C[6]2O)(CHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCH)(OH){1|C<4>,2|H<1>,2|O<2>}	H(CC[6]C)	117.1852	0.663	4	117.1852	0.440	4	116.7348	1.212	11	116.6416	1.215	15	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:2:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:O-2:	C-3:	C(C[6]C[6]2O)(CHP)(H)	C[6](C[6]C[6]HH)2(CCH)(OH)	H(CC[6]C)	C(C[6]C[6]2O)(CHP)(H)	C[6](C[6]C[6]HH)2(CCH)(OH){1|C<4>,4|H<1>}	H(CC[6]C)	116.8810	0.000	1	116.8810	0.000	1	116.7348	1.212	11	116.6416	1.215	15	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:3:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C-3:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]O)(CCH)	H(CC[6]C)	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]O)(CCH){1|C<2>,2|C<4>,2|H<1>}	H(CC[6]C)	117.2590	0.000	1	117.2590	0.000	1	116.9143	0.219	3	116.4580	0.979	4	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:3:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C-3:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6a]O)(CCH)	H(CC[6]C)	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6a]O)(CCH){1|C<3>,1|C<4>,3|H<1>}	H(CC[6]C)	117.1020	0.000	1	116.7420	0.259	2	116.9143	0.219	3	116.4580	0.979	4	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:3:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:C-3:	C-3:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6a]O)(CCH)	H(CC[6]C)	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CC[6a]O)(CCH){2|C<4>,3|H<1>}	H(CC[6]C)	116.3820	0.000	1	116.7420	0.259	2	116.9143	0.219	3	116.4580	0.979	4	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:3:3:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:N-3:	C-3:	C(C[6]C[6]2N)(CCC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(CCH)(NCH)	H(CC[6]C)	C(C[6]C[6]2N)(CCC)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(CCH)(NCH){1|C<4>,4|H<1>}	H(CC[6]C)	115.0890	0.000	1	115.0890	0.000	1	115.0890	0.000	1	116.4580	0.979	4	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:4:3:	3:	C[6]-4:C-3:H-1:	C[4,6]-4:C[6]-4:C-4:C-3:	C-3:	C(C[6]C[4,6]C[6]C)(CCH)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6,6a]CC)(CH3)(CCH)	H(CC[6]C)	C(C[6]C[4,6]C[6]C)(CCH)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6,6a]CC)(CH3)(CCH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(CC[6]C)	113.6590	0.000	1	113.6590	0.000	1	113.6590	0.000	1	115.2008	3.127	42	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:4:3:	3:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C-4:C-3:	C-3:	C(C[6]C[5,6]C[6]C)(CCH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]CC)(CH3)(CCH)	H(CC[6]C)	C(C[6]C[5,6]C[6]C)(CCH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]CC)(CH3)(CCH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(CC[6]C)	112.9927	0.171	3	112.9927	0.029	3	113.8395	2.888	4	115.2008	3.127	42	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:4:3:	3:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:C-4:C-3:	C-3:	C(C[6]C[5,6]C[6]C)(CHH)(H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CH3)(CCH)	H(CC[6]C)	C(C[6]C[5,6]C[6]C)(CHH)(H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(CH3)(CCH){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(CC[6]C)	116.3800	0.000	1	116.3800	0.000	1	113.8395	2.888	4	115.2008	3.127	42	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:4:3:	3:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C-3:	C(C[6]C[6,6]C[6]C)(CCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CCH)	H(CC[6]C)	C(C[6]C[6,6]C[6]C)(CCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CCH){1|C<3>,3|C<4>,4|H<1>}	H(CC[6]C)	114.6190	0.000	1	115.0930	2.713	3	115.5700	1.363	7	115.2008	3.127	42	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:4:3:	3:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C-3:	C(C[6]C[6,6]C[6]C)(CCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CCH)	H(CC[6]C)	C(C[6]C[6,6]C[6]C)(CCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CCH){1|O<2>,3|H<1>,4|C<4>}	H(CC[6]C)	116.9250	0.000	1	115.0930	2.713	3	115.5700	1.363	7	115.2008	3.127	42	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:4:3:	3:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C-3:	C(C[6]C[6,6]C[6]C)(CCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CCH)	H(CC[6]C)	C(C[6]C[6,6]C[6]C)(CCH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)(CCH){4|C<4>,4|H<1>}	H(CC[6]C)	113.7350	0.000	1	115.0930	2.713	3	115.5700	1.363	7	115.2008	3.127	42	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:4:3:	3:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C-3:	C(C[6]C[6,6]C[6]C)(CCH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]O[6]CH)(CH3)(CCH)	H(CC[6]C)	C(C[6]C[6,6]C[6]C)(CCH)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]O[6]CH)(CH3)(CCH){1|C<3>,2|C<4>,2|H<1>}	H(CC[6]C)	116.1620	0.000	1	116.1620	0.000	1	115.5700	1.363	7	115.2008	3.127	42	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:4:3:	3:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C-3:	C(C[6]C[6,6]C[6]C)(CC[5]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CH3)(CCH)	H(CC[6]C)	C(C[6]C[6,6]C[6]C)(CC[5]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CH3)(CCH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(CC[6]C)	116.8450	0.000	1	116.8450	0.000	1	115.5700	1.363	7	115.2008	3.127	42	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:4:3:	3:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C-3:	C(C[6]C[6,6]C[6]C)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(CCH)	H(CC[6]C)	C(C[6]C[6,6]C[6]C)(CHH)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)(CCH){4|C<4>,4|H<1>}	H(CC[6]C)	115.3520	0.000	2	115.3520	0.000	2	115.5700	1.363	7	115.2008	3.127	42	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:4:3:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C-3:	C(C[6]C[6]2C)(CCH)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(CCCH)(CCH)	H(CC[6]C)	C(C[6]C[6]2C)(CCH)(H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(CCCH)(CCH){1|C<3>,1|H<1>,2|O<2>}	H(CC[6]C)	117.7070	0.000	1	117.7070	0.000	1	115.2820	3.438	29	115.2008	3.127	42	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:4:3:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C-3:	C(C[6]C[6]2C)(CCH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CH3)(CCH)	H(CC[6]C)	C(C[6]C[6]2C)(CCH)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CH3)(CCH){1|O<1>,2|C<3>}	H(CC[6]C)	116.8590	0.000	1	116.8590	0.000	1	115.2820	3.438	29	115.2008	3.127	42	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:4:3:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C-3:	C(C[6]C[6]2C)(CC[5a]H)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CH3)(CCH)	H(CC[6]C)	C(C[6]C[6]2C)(CC[5a]H)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(CH3)(CCH){1|N<3>,2|C<3>,3|H<1>}	H(CC[6]C)	117.2030	0.000	1	117.2030	0.000	1	115.2820	3.438	29	115.2008	3.127	42	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:4:3:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C-3:	C(C[6]C[6]2C)(CClH)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(CH3)(CCH)	H(CC[6]C)	C(C[6]C[6]2C)(CClH)(H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(CH3)(CCH){1|Cl<1>,2|C<4>,2|H<1>}	H(CC[6]C)	116.2480	0.000	1	116.2480	0.000	1	115.2820	3.438	29	115.2008	3.127	42	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:4:3:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C-3:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(CH3)(CCH)	H(CC[6]C)	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(CH3)(CCH){1|O<2>,2|C<4>,2|H<1>}	H(CC[6]C)	115.2000	0.000	1	115.2000	0.000	1	115.2820	3.438	29	115.2008	3.127	42	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:4:3:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C-3:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[3x6]HO)(C[6]C[6]HH)(CH3)(CCH)	H(CC[6]C)	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[3x6]HO)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	H(CC[6]C)	115.8610	0.000	1	115.8610	0.000	1	115.2820	3.438	29	115.2008	3.127	42	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:4:3:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C-3:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[4x6]CH)(C[6]C[6]HH)(CH3)(CCH)	H(CC[6]C)	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[4x6]CH)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(CC[6]C)	117.2400	0.000	1	117.2400	0.000	1	115.2820	3.438	29	115.2008	3.127	42	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:4:3:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C-3:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(CH3)(CCH)	H(CC[6]C)	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(CC[6]C)	116.3870	1.373	2	116.3870	1.886	2	115.2820	3.438	29	115.2008	3.127	42	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:4:3:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C-3:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(CCH)	H(CC[6]C)	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)(CCH){2|C<4>,3|H<1>}	H(CC[6]C)	113.7060	0.666	2	113.7060	0.444	2	115.2820	3.438	29	115.2008	3.127	42	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:4:3:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C-3:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[5,6]HN)(C[6]C[6]ClH)(CH3)(CCH)	H(CC[6]C)	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[5,6]HN)(C[6]C[6]ClH)(CH3)(CCH){2|C<4>,3|H<1>}	H(CC[6]C)	116.0940	0.000	1	116.0940	0.000	1	115.2820	3.438	29	115.2008	3.127	42	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:4:3:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C-3:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CCHH)(CCH)	H(CC[6]C)	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CCHH)(CCH){2|C<3>,2|H<1>}	H(CC[6]C)	115.9070	0.000	1	115.9070	0.000	1	115.2820	3.438	29	115.2008	3.127	42	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:4:3:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C-3:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(CH3)(CCH)	H(CC[6]C)	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(CH3)(CCH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(CC[6]C)	113.5990	2.869	2	113.5990	8.234	2	115.2820	3.438	29	115.2008	3.127	42	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:4:3:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C-3:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCH)	H(CC[6]C)	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	H(CC[6]C)	113.1312	2.695	4	114.6739	4.380	10	115.2820	3.438	29	115.2008	3.127	42	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:4:3:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C-3:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCH)	H(CC[6]C)	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)(CCH){2|C<4>,3|H<1>}	H(CC[6]C)	115.7023	0.594	6	114.6739	4.380	10	115.2820	3.438	29	115.2008	3.127	42	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:4:3:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C-3:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)(CCH)	H(CC[6]C)	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)(CCH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(CC[6]C)	112.6110	0.000	1	112.6110	0.000	1	115.2820	3.438	29	115.2008	3.127	42	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:4:3:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C-3:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(CCH)	H(CC[6]C)	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	H(CC[6]C)	115.0220	0.000	1	115.4590	0.382	2	115.2820	3.438	29	115.2008	3.127	42	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:4:3:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C-3:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(CCH)	H(CC[6]C)	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)(CCH){2|C<3>,2|H<1>}	H(CC[6]C)	115.8960	0.000	1	115.4590	0.382	2	115.2820	3.438	29	115.2008	3.127	42	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:4:3:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:C-3:	C-3:	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)(CCH)	H(CC[6]C)	C(C[6]C[6]2C)(CHH)(H)	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)(CCH){1|C<4>,2|C<3>}	H(CC[6]C)	117.2080	0.000	1	117.2080	0.000	1	115.2820	3.438	29	115.2008	3.127	42	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:3:1:	4:4:4:3:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:S-4:C-3:	C-3:	C(C[6]C[6]2S)(CHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)(CCH)	H(CC[6]C)	C(C[6]C[6]2S)(CHH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)(CCH){1|C<3>,3|H<1>}	H(CC[6]C)	117.2470	0.000	1	117.2470	0.000	1	117.2470	0.000	1	115.2008	3.127	42	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:4:1:	2:2:3:1:	3:	C[6]-4:C-4:H-1:	O[6]-2:O[6]-2:C-3:H-1:	C-3:	C(C[6]O[6]2H)(CCHH)(H)	C[6](O[6]C[6,6])(O[6]C[6])(CCH)(H)	H(CC[6]C)	C(C[6]O[6]2H)(CCHH)(H)	C[6](O[6]C[6,6])(O[6]C[6])(CCH)(H){2|C<4>,2|H<1>}	H(CC[6]C)	117.1350	0.000	1	117.1350	0.000	1	117.1350	0.000	1	117.1350	0.000	1	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:4:1:	3:3:4:3:	3:	C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-3:C-4:C-3:	C-3:	C(C[6]C[5a,6]C[6]C)(CH3)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(CH3)(CCH)	H(CC[6]C)	C(C[6]C[5a,6]C[6]C)(CH3)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(CH3)(CCH){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	H(CC[6]C)	117.9910	0.000	1	117.9910	0.000	1	117.9910	0.000	1	117.9910	0.000	1	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:4:1:	4:4:3:1:	3:	C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:H-1:	C-3:	C(C[6]C[6]2H)(CCHN)(H)	C[6](C[6]C[6]HH)2(CCH)(H)	H(CC[6]C)	C(C[6]C[6]2H)(CCHN)(H)	C[6](C[6]C[6]HH)2(CCH)(H){1|C<4>,4|H<1>}	H(CC[6]C)	121.4300	0.000	2	121.4300	0.000	2	121.4300	0.000	2	121.4300	0.000	2	116.1963	21.429	697	116.1754	19.852	849
930	466	951	0:SP2_SP-NON_SP3	C	C[6]	H	4:4:1:	4:4:4:3:	3:	C[6]-4:N-4:H-1:	C[6,6]-4:C[6]-4:C-4:C-3:	C-3:	C(C[6]C[6,6]C[6]C)(NH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CHN)	H(CC[6]N)	C(C[6]C[6,6]C[6]C)(NH3)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)(CHN){1|C<3>,3|C<4>,4|H<1>}	H(CC[6]N)	121.2620	0.000	1	121.2620	0.000	1	121.2620	0.000	1	121.2620	0.000	1	116.1963	21.429	697	116.1754	19.852	849