474	490	952	0:SP3_SP3_SP3	C[5]	C	S	3:2:4:4:	3:4:1:1:	4:3:1:1:	C[5]-3:O[5]-2:C-4:S-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:O-1:O-1:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]N[6a])(C[5]C[5]O[5]S)(H)2	S(C[5]C[5]O[5]C)(C[6a]C[6a]2)(O)2	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]HH)(SC[6a]OO){2|C<3>}	C(C[6a]C[6a]N[6a])(C[5]C[5]O[5]S)(H)2	S(C[5]C[5]O[5]C)(C[6a]C[6a]2)(O)2	111.6600	0.000	1	111.6600	0.000	1	111.6600	0.000	1	111.6600	0.000	1	109.1623	10.675	4	109.1623	10.675	4
474	490	952	0:SP3_SP3_SP3	C[5]	C	S	3:3:4:4:	4:4:1:1:	4:3:1:1:	C[5,6a]-3:C[5,6a]-3:S-4:C-4:	C[5]-4:S-4:H-1:H-1:	C[5]-4:C[6a]-3:O-1:O-1:	C[5](C[5,6a]C[5,6a]C[6a])2(SC[6a]OO)(CHHS)	C(C[5]C[5,6a]2S)(SC[6a]OO)(H)2	S(C[5]C[5,6a]2C)(C[6a]C[6a]2)(O)2	C[5](C[5,6a]C[5,6a]C[6a])2(SC[6a]OO)(CHHS){2|H<1>,4|C<3>}	C(C[5]C[5,6a]2S)(SC[6a]OO)(H)2	S(C[5]C[5,6a]2C)(C[6a]C[6a]2)(O)2	104.3700	0.000	1	104.3700	0.000	1	104.3700	0.000	1	104.3700	0.000	1	109.1623	10.675	4	109.1623	10.675	4
474	490	952	0:SP3_SP3_SP3	C[5]	C	S	4:4:4:4:	4:1:1:1:	3:4:1:1:	C[5]-4:C[5]-4:S-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:O-1:O-1:	C[5](C[5]C[3,5]HH)2(SC[6a]OO)(CH3)	C(C[5]C[5]2S)(H)3	S(C[6a]C[6a]2)(C[5]C[5]2C)(O)2	C[5](C[5]C[3,5]HH)2(SC[6a]OO)(CH3){1|S<3>,2|H<1>}	C(C[5]C[5]2S)(H)3	S(C[6a]C[6a]2)(C[5]C[5]2C)(O)2	110.0020	0.000	1	110.0020	0.000	1	110.3095	0.189	2	110.3095	0.189	2	109.1623	10.675	4	109.1623	10.675	4
474	490	952	0:SP3_SP3_SP3	C[5]	C	S	4:4:4:4:	4:1:1:1:	3:4:1:1:	C[5]-4:C[5]-4:S-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:O-1:O-1:	C[5](C[5]C[5]HH)2(SC[6a]OO)(CH3)	C(C[5]C[5]2S)(H)3	S(C[6a]C[6a]2)(C[5]C[5]2C)(O)2	C[5](C[5]C[5]HH)2(SC[6a]OO)(CH3){1|H<1>,1|S<4>}	C(C[5]C[5]2S)(H)3	S(C[6a]C[6a]2)(C[5]C[5]2C)(O)2	110.6170	0.000	1	110.6170	0.000	1	110.3095	0.189	2	110.3095	0.189	2	109.1623	10.675	4	109.1623	10.675	4
474	490	955	0:SP3_SP3_SP3	C[5,3x6]	C	P[5,6,6]	3:4:2:4:	4:4:4:4:	4:4:1:1:	P[3,5,6,6]-3:P[5,6,6]-4:P[6,6]-2:C-4:	C[5,3x6]-4:C-4:C-4:C-4:	C[4,5,6,6]-4:C[5,3x6]-4:Cl-1:O-1:	C[5,3x6](P[3,5,6,6]C[3,4,6,6]P[3,4,5])(P[5,6,6]C[4,5,6,6]ClO)(P[6,6]C[6,6])(CC3)	C(C[5,3x6]P[3,5,6,6]P[5,6,6]P[6,6])(CH3)3	P[5,6,6](C[4,5,6,6]P[3,4,5]P[4,3x6]C)(C[5,3x6]P[3,5,6,6]P[6,6]C)(Cl)(O)	C[5,3x6](P[3,5,6,6]C[3,4,6,6]P[3,4,5])(P[5,6,6]C[4,5,6,6]ClO)(P[6,6]C[6,6])(CC3){1|P<3>,3|C<4>}	C(C[5,3x6]P[3,5,6,6]P[5,6,6]P[6,6])(CH3)3	P[5,6,6](C[4,5,6,6]P[3,4,5]P[4,3x6]C)(C[5,3x6]P[3,5,6,6]P[6,6]C)(Cl)(O){1|C<3>,1|C<4>}	118.4360	0.000	1	118.4360	0.000	1	118.4360	0.000	1	118.4360	0.000	1	118.4360	0.000	1	114.6149	7.765	71
474	490	955	0:SP3_SP3_SP3	C[5,5]	C	P[5,5,6]	4:4:4:1:	4:1:1:1:	3:3:4:3:	B[5,5,6]-4:P[5,5,6]-4:C-4:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5,6]-3:C[5,5]-4:C[6a]-3:	C[5,5](B[5,5,6]C[5,6]2C[6a])(P[5,5,6]C[5,6]2C[6a])(CH3)(H)	C(C[5,5]B[5,5,6]P[5,5,6]H)(H)3	P[5,5,6](C[5,6]C[5,6]C[6a])2(C[5,5]B[5,5,6]CH)(C[6a]C[6a]2)	C[5,5](B[5,5,6]C[5,6]2C[6a])(P[5,5,6]C[5,6]2C[6a])(CH3)(H){2|H<1>,6|C<3>}	C(C[5,5]B[5,5,6]P[5,5,6]H)(H)3	P[5,5,6](C[5,6]C[5,6]C[6a])2(C[5,5]B[5,5,6]CH)(C[6a]C[6a]2){2|C<4>,2|H<1>,7|C<3>}	119.0575	1.224	2	119.0575	1.498	2	119.0575	1.498	2	119.0575	1.498	2	117.7784	2.475	5	114.6149	7.765	71
474	490	955	0:SP3_SP3_SP3	C[5,5]	C	P[5,5,6]	4:4:4:1:	4:1:1:1:	4:4:4:3:	B[5,5,6]-4:P[5,5,6]-4:C-4:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C[6a]-3:	C[5,5](B[5,5,6]C[5,6]O[5,6]C[6a])(P[5,5,6]C[5,6]2C[6a])(CH3)(H)	C(C[5,5]B[5,5,6]P[5,5,6]H)(H)3	P[5,5,6](C[5,6]O[5,6]C[6a]H)(C[5,5]B[5,5,6]CH)(C[5,6]C[5,6]HH)(C[6a]C[6a]2)	C[5,5](B[5,5,6]C[5,6]O[5,6]C[6a])(P[5,5,6]C[5,6]2C[6a])(CH3)(H){5|C<3>,5|H<1>}	C(C[5,5]B[5,5,6]P[5,5,6]H)(H)3	P[5,5,6](C[5,6]O[5,6]C[6a]H)(C[5,5]B[5,5,6]CH)(C[5,6]C[5,6]HH)(C[6a]C[6a]2){2|C<4>,2|H<1>,5|C<3>}	116.9257	1.214	3	116.9257	1.474	3	116.9257	1.474	3	116.9257	1.474	3	117.7784	2.475	5	114.6149	7.765	71
474	490	955	0:SP3_SP3_SP3	C[5,6]	C	P[5,5,6]	4:4:4:1:	4:2:1:1:	3:4:4:1:	P[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-3:C[5,5]-4:C[5,6]-4:S-1:	C[5,6](P[5,5,6]C[5,5]C[5,6]S)(C[5,6]C[5,5,6]CH)(CHHO)(H)	C(C[5,6]P[5,5,6]C[5,6]H)(OH)(H)2	P[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(S)	C[5,6](P[5,5,6]C[5,5]C[5,6]S)(C[5,6]C[5,5,6]CH)(CHHO)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[5,6]P[5,5,6]C[5,6]H)(OH)(H)2	P[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(S){1|H<1>,2|C<3>,3|C<4>}	110.0170	0.000	1	110.0170	0.000	1	110.0170	0.000	1	110.0170	0.000	1	114.0209	7.906	9	114.6149	7.765	71
474	490	955	0:SP3_SP3_SP3	C[5,6]	C	P[5,5,6]	4:4:4:1:	4:2:1:1:	4:4:3:1:	P[5,5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:O-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:S-1:	C[5,6](P[5,5,6]C[5,5]C[5,6]S)(C[5,6]C[5,5,6]CH)(CHHO)(H)	C(C[5,6]P[5,5,6]C[5,6]H)(OH)(H)2	P[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(S)	C[5,6](P[5,5,6]C[5,5]C[5,6]S)(C[5,6]C[5,5,6]CH)(CHHO)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[5,6]P[5,5,6]C[5,6]H)(OH)(H)2	P[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(S){1|H<1>,3|C<4>}	109.9870	0.000	1	109.9870	0.000	1	109.9870	0.000	1	109.9870	0.000	1	114.0209	7.906	9	114.6149	7.765	71
474	490	955	0:SP3_SP3_SP3	C[5,6]	C	P[5,5,6]	4:4:4:1:	4:2:1:1:	4:4:4:1:	C[5,5,6]-4:P[5,5,6]-4:C-4:H-1:	C[5,6]-4:O-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:S-1:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(P[5,5,6]C[5,5]C[5,6]S)(CHHO)(H)	C(C[5,6]C[5,5,6]P[5,5,6]H)(OH)(H)2	P[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HH)(S)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(P[5,5,6]C[5,5]C[5,6]S)(CHHO)(H){1|O<2>,2|C<4>,6|H<1>}	C(C[5,6]C[5,5,6]P[5,5,6]H)(OH)(H)2	P[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HH)(S){1|H<1>,1|O<2>,3|C<4>}	112.2130	0.000	1	112.2130	0.000	1	114.4248	3.307	4	115.3532	4.059	6	114.0209	7.906	9	114.6149	7.765	71
474	490	955	0:SP3_SP3_SP3	C[5,6]	C	P[5,5,6]	4:4:4:1:	4:2:1:1:	4:4:4:1:	C[5,5,6]-4:P[5,5,6]-4:C-4:H-1:	C[5,6]-4:O-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:S-1:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(P[5,5,6]C[5,5]C[5,6]S)(CHHO)(H)	C(C[5,6]C[5,5,6]P[5,5,6]H)(OP)(H)2	P[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HH)(S)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(P[5,5,6]C[5,5]C[5,6]S)(CHHO)(H){1|O<2>,2|C<4>,6|H<1>}	C(C[5,6]C[5,5,6]P[5,5,6]H)(OP)(H)2	P[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HH)(S){1|H<1>,1|O<2>,3|C<4>}	115.1620	1.304	3	115.1620	1.700	3	114.4248	3.307	4	115.3532	4.059	6	114.0209	7.906	9	114.6149	7.765	71
474	490	955	0:SP3_SP3_SP3	C[5,6]	C	P[5,5,6]	4:4:4:1:	4:2:1:1:	4:4:4:1:	C[5,5,6]-4:P[5,5,6]-4:C-4:H-1:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:S-1:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(P[5,5,6]C[5,5]C[5,6]S)(CHHO)(H)	C(C[5,6]C[5,5,6]P[5,5,6]H)(OH)(H)2	P[5,5,6](C[5,6]C[5,5,6]C[6a]H)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(S)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(P[5,5,6]C[5,5]C[5,6]S)(CHHO)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[5,6]C[5,5,6]P[5,5,6]H)(OH)(H)2	P[5,5,6](C[5,6]C[5,5,6]C[6a]H)(C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(S){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	117.2100	0.177	2	117.2100	0.031	2	117.2100	0.031	2	115.3532	4.059	6	114.0209	7.906	9	114.6149	7.765	71
474	490	955	0:SP3_SP3_SP3	C[5,6]	C	P[5,5,6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5,5,6]-4:P[5,5,6]-4:C-4:H-1:	C[5,6]-4:P-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:S-1:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(P[5,5,6]C[5,5]C[5,6]S)(CHHP)(H)	C(C[5,6]C[5,5,6]P[5,5,6]H)(PC[6a]2B)(H)2	P[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HH)(S)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(P[5,5,6]C[5,5]C[5,6]S)(CHHP)(H){1|O<2>,2|C<4>,6|H<1>}	C(C[5,6]C[5,5,6]P[5,5,6]H)(PC[6a]2B)(H)2	P[5,5,6](C[5,5]C[3x5,6]HH)(C[5,6]C[5,5,6]CH)(C[5,6]C[5,5,6]HH)(S){1|H<1>,1|O<2>,3|C<4>}	114.0650	0.000	1	114.0650	0.000	1	114.0650	0.000	1	114.0650	0.000	1	114.0209	7.906	9	114.6149	7.765	71
474	490	955	0:SP3_SP3_SP3	C[5,6]	C	P[5,6]	4:4:4:1:	4:1:1:1:	4:4:3:4:	B[5,6]-4:P[5,6]-4:C-4:H-1:	C[5,6]-4:H-1:H-1:H-1:	B[5,6]-4:C[5,6]-4:C[6a]-3:C[5]-4:	C[5,6](B[5,6]P[5,6]C[6a]C[5])(P[5,6]B[5,6]C[6a]C[5])(CH3)(H)	C(C[5,6]B[5,6]P[5,6]H)(H)3	P[5,6](B[5,6]C[5,6]C[6a]C[5])(C[5,6]B[5,6]CH)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,6](B[5,6]P[5,6]C[6a]C[5])(P[5,6]B[5,6]C[6a]C[5])(CH3)(H){3|C<4>,4|H<1>,6|C<3>}	C(C[5,6]B[5,6]P[5,6]H)(H)3	P[5,6](B[5,6]C[5,6]C[6a]C[5])(C[5,6]B[5,6]CH)(C[6a]C[6a]2)(C[5]C[5]HH){1|P<4>,4|C<4>,5|C<3>,5|H<1>}	111.6610	0.262	2	111.6610	0.068	2	111.6610	0.068	2	111.6610	0.068	2	111.6610	0.068	2	114.6149	7.765	71
474	490	955	0:SP3_SP3_SP3	C[5]	C	P[5]	4:2:4:2:	4:4:4:4:	3:4:3:1:	P[5]-4:O[5]-2:C-4:C-2:	C[5]-4:C-4:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5](P[5]C[6a]C[5]H)(O[5]B[5])(CC3)(CC)	C(C[5]O[5]P[5]C)(CH3)3	P[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]B[5]C)(H)	C[5](P[5]C[6a]C[5]H)(O[5]B[5])(CC3)(CC){5|C<3>}	C(C[5]O[5]P[5]C)(CH3)3	P[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]B[5]C)(H){2|C<4>,4|C<3>}	115.7415	0.452	2	115.7415	0.204	2	115.7415	0.204	2	115.7415	0.204	2	114.4597	7.240	54	114.6149	7.765	71
474	490	955	0:SP3_SP3_SP3	C[5]	C	P[5]	4:2:4:3:	4:1:1:1:	3:3:3:4:	P[5]-4:S[5]-2:C-4:N-3:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:C[5]-4:	C[5](P[5]C[5,6a]C[6a]2)(S[5]C[5,6a])(CH3)(NCH)	C(C[5]P[5]S[5]N)(H)3	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]S[5]CN)	C[5](P[5]C[5,6a]C[6a]2)(S[5]C[5,6a])(CH3)(NCH){6|C<3>}	C(C[5]P[5]S[5]N)(H)3	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(C[5]S[5]CN){1|S<2>,4|H<1>,6|C<3>}	113.9850	0.000	1	113.9850	0.000	1	113.9850	0.000	1	113.9850	0.000	1	114.4597	7.240	54	114.6149	7.765	71
474	490	955	0:SP3_SP3_SP3	C[5]	C	P[5]	4:2:4:3:	4:1:1:1:	4:4:1:1:	P[5]-4:O[5]-2:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:O-1:	C[5](P[5]C[5]OO)(O[5]C[5])(CH3)(COO)	C(C[5]O[5]P[5]C)(H)3	P[5](C[5]C[5]CO)(C[5]O[5]CC)(O)2	C[5](P[5]C[5]OO)(O[5]C[5])(CH3)(COO){1|C<4>,1|O<1>,1|O<2>}	C(C[5]O[5]P[5]C)(H)3	P[5](C[5]C[5]CO)(C[5]O[5]CC)(O)2{1|O<1>}	112.8930	0.000	1	112.8930	0.000	1	112.8930	0.000	1	112.8930	0.000	1	114.4597	7.240	54	114.6149	7.765	71
474	490	955	0:SP3_SP3_SP3	C[5]	C	P[5]	4:3:2:4:	4:1:1:1:	4:3:3:3:	P[5]-4:C[6a]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:C[5]-3:	C[5](P[5]C[6a]2C[5])(C[6a]C[6a]2)(O[5]Si[5])(CH3)	C(C[5]C[6a]O[5]P[5])(H)3	P[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)2(C[5]Si[5]C)	C[5](P[5]C[6a]2C[5])(C[6a]C[6a]2)(O[5]Si[5])(CH3){2|C<4>,2|H<1>,7|C<3>}	C(C[5]C[6a]O[5]P[5])(H)3	P[5](C[5]C[6a]O[5]C)(C[6a]C[6a]2)2(C[5]Si[5]C){2|C<4>,4|H<1>,6|C<3>}	110.5940	0.000	1	110.5940	0.000	1	110.5940	0.000	1	110.5940	0.000	1	114.4597	7.240	54	114.6149	7.765	71
474	490	955	0:SP3_SP3_SP3	C[5]	C	P[5]	4:3:4:2:	4:1:1:1:	4:4:1:1:	P[5]-4:C[5]-3:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:O-1:	C[5](P[5]C[5]OO)(C[5]O[5]O)(CH3)(OH)	C(C[5]C[5]P[5]O)(H)3	P[5](C[5]C[5]CO)(C[5]O[5]CC)(O)2	C[5](P[5]C[5]OO)(C[5]O[5]O)(CH3)(OH){1|C<3>,1|C<4>}	C(C[5]C[5]P[5]O)(H)3	P[5](C[5]C[5]CO)(C[5]O[5]CC)(O)2{1|O<1>}	111.5220	0.000	1	111.5220	0.000	1	111.5220	0.000	1	111.5220	0.000	1	114.4597	7.240	54	114.6149	7.765	71
474	490	955	0:SP3_SP3_SP3	C[5]	C	P[5]	4:4:4:1:	4:1:1:1:	3:3:4:3:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-3:	C[5](P[5]C[6a]2N[5])(C[5]B[5]HH)(CH3)(H)	C(C[5]C[5]P[5]H)(H)3	P[5](C[6a]C[6a]2)2(C[5]C[5]CH)(N[5]B[5]N)	C[5](P[5]C[6a]2N[5])(C[5]B[5]HH)(CH3)(H){1|N<2>,6|C<3>}	C(C[5]C[5]P[5]H)(H)3	P[5](C[6a]C[6a]2)2(C[5]C[5]CH)(N[5]B[5]N){2|H<1>,4|F<1>,6|C<3>}	116.1010	0.000	1	116.1010	0.000	1	117.8107	2.264	3	117.8107	2.264	3	114.4597	7.240	54	114.6149	7.765	71
474	490	955	0:SP3_SP3_SP3	C[5]	C	P[5]	4:4:4:1:	4:1:1:1:	3:3:4:3:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-3:	C[5](P[5]C[6a]2N[5])(C[5]B[5]HH)(CH3)(H)	C(C[5]C[5]P[5]H)(H)3	P[5](C[6a]C[6a]2)2(C[5]C[5]CH)(N[5]B[5]O)	C[5](P[5]C[6a]2N[5])(C[5]B[5]HH)(CH3)(H){1|O<1>,6|C<3>}	C(C[5]C[5]P[5]H)(H)3	P[5](C[6a]C[6a]2)2(C[5]C[5]CH)(N[5]B[5]O){2|H<1>,4|C<4>,6|C<3>}	118.3980	0.000	1	118.6655	0.143	2	117.8107	2.264	3	117.8107	2.264	3	114.4597	7.240	54	114.6149	7.765	71
474	490	955	0:SP3_SP3_SP3	C[5]	C	P[5]	4:4:4:1:	4:1:1:1:	3:3:4:3:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-3:	C[5](P[5]C[6a]2N[5])(C[5]B[5]HH)(CH3)(H)	C(C[5]C[5]P[5]H)(H)3	P[5](C[6a]C[6a]2)2(C[5]C[5]CH)(N[5]B[5]O)	C[5](P[5]C[6a]2N[5])(C[5]B[5]HH)(CH3)(H){1|O<2>,6|C<3>}	C(C[5]C[5]P[5]H)(H)3	P[5](C[6a]C[6a]2)2(C[5]C[5]CH)(N[5]B[5]O){2|H<1>,4|C<4>,6|C<3>}	118.9330	0.000	1	118.6655	0.143	2	117.8107	2.264	3	117.8107	2.264	3	114.4597	7.240	54	114.6149	7.765	71
474	490	955	0:SP3_SP3_SP3	C[5]	C	P[5]	4:4:4:1:	4:1:1:1:	3:3:4:4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:B-4:	C[5](P[5]C[5,6a]C[6a]B)(C[5]C[5,6a]HH)(CH3)(H)	C(C[5]C[5]P[5]H)(H)3	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(BH3)	C[5](P[5]C[5,6a]C[6a]B)(C[5]C[5,6a]HH)(CH3)(H){4|C<3>}	C(C[5]C[5]P[5]H)(H)3	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CH)(BH3){4|C<3>,5|H<1>}	111.3860	0.000	1	111.3860	0.000	1	111.3860	0.000	1	111.3860	0.000	1	114.4597	7.240	54	114.6149	7.765	71
474	490	955	0:SP3_SP3_SP3	C[5]	C	P[5]	4:4:4:1:	4:1:1:1:	3:4:4:1:	B[5]-4:P[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5](B[5]C[6a]C[5]H)(P[5]C[6a]C[5]H)(CH3)(H)	C(C[5]B[5]P[5]H)(H)3	P[5](C[6a]C[6a]2)(C[5]B[5]CH)(C[5]C[5]HH)(H)	C[5](B[5]C[6a]C[5]H)(P[5]C[6a]C[5]H)(CH3)(H){4|C<3>,4|H<1>}	C(C[5]B[5]P[5]H)(H)3	P[5](C[6a]C[6a]2)(C[5]B[5]CH)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,3|H<1>}	113.3690	1.700	2	113.3690	2.890	2	113.3690	2.890	2	114.5031	2.633	14	114.4597	7.240	54	114.6149	7.765	71
474	490	955	0:SP3_SP3_SP3	C[5]	C	P[5]	4:4:4:1:	4:1:1:1:	3:4:4:1:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-4:O-1:	C[5](P[5]C[5a]C[5]O)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]P[5]H)(H)3	P[5](C[5a]C[5a]S[5a])(C[5]C[5]CH)2(O)	C[5](P[5]C[5a]C[5]O)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C(C[5]C[5]P[5]H)(H)3	P[5](C[5a]C[5a]S[5a])(C[5]C[5]CH)2(O){1|P<3>,2|C<3>,4|H<1>}	115.7060	0.914	2	115.7060	0.835	2	115.7060	0.835	2	114.5031	2.633	14	114.4597	7.240	54	114.6149	7.765	71
474	490	955	0:SP3_SP3_SP3	C[5]	C	P[5]	4:4:4:1:	4:1:1:1:	3:4:4:1:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:O-1:	C[5](P[5]C[6a]C[5]O)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]P[5]H)(H)3	P[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(O)	C[5](P[5]C[6a]C[5]O)(C[5]C[5]HH)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5]P[5]H)(H)3	P[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(O){1|P<3>,2|C<3>,5|H<1>}	113.2625	0.977	2	113.2625	0.954	2	114.4905	4.793	4	114.5031	2.633	14	114.4597	7.240	54	114.6149	7.765	71
474	490	955	0:SP3_SP3_SP3	C[5]	C	P[5]	4:4:4:1:	4:1:1:1:	3:4:4:1:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:O-1:	C[5](P[5]C[6a]C[5]O)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]P[5]H)(H)3	P[5](C[6a]C[6a]2)(C[5]C[5]CH)2(O)	C[5](P[5]C[6a]C[5]O)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[5]C[5]P[5]H)(H)3	P[5](C[6a]C[6a]2)(C[5]C[5]CH)2(O){2|C<3>,6|H<1>}	115.7185	2.719	2	115.7185	7.392	2	114.4905	4.793	4	114.5031	2.633	14	114.4597	7.240	54	114.6149	7.765	71
474	490	955	0:SP3_SP3_SP3	C[5]	C	P[5]	4:4:4:1:	4:1:1:1:	3:4:4:1:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:S-1:	C[5](P[5]C[6a]C[5]S)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]P[5]H)(H)3	P[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(S)	C[5](P[5]C[6a]C[5]S)(C[5]C[5]HH)(CH3)(H){2|C<3>,4|H<1>}	C(C[5]C[5]P[5]H)(H)3	P[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(S){1|P<4>,2|C<3>,5|H<1>}	112.8325	1.135	2	112.8325	1.288	2	114.4885	2.132	6	114.5031	2.633	14	114.4597	7.240	54	114.6149	7.765	71
474	490	955	0:SP3_SP3_SP3	C[5]	C	P[5]	4:4:4:1:	4:1:1:1:	3:4:4:1:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:S-1:	C[5](P[5]C[6a]C[5]S)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]P[5]H)(H)3	P[5](C[6a]C[6a]2)(C[5]C[5]CH)2(S)	C[5](P[5]C[6a]C[5]S)(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[5]C[5]P[5]H)(H)3	P[5](C[6a]C[6a]2)(C[5]C[5]CH)2(S){2|C<3>,6|H<1>}	115.3165	0.617	4	115.3165	0.381	4	114.4885	2.132	6	114.5031	2.633	14	114.4597	7.240	54	114.6149	7.765	71
474	490	955	0:SP3_SP3_SP3	C[5]	C	P[5]	4:4:4:1:	4:1:1:1:	3:4:4:4:	B[5]-4:P[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:B-4:	C[5](B[5]C[6a]C[5]S)(P[5]C[6a]C[5]B)(CH3)(H)	C(C[5]B[5]P[5]H)(H)3	P[5](C[6a]C[6a]2)(C[5]B[5]CH)(C[5]C[5]HH)(BC[6a]HH)	C[5](B[5]C[6a]C[5]S)(P[5]C[6a]C[5]B)(CH3)(H){4|C<3>,4|H<1>}	C(C[5]B[5]P[5]H)(H)3	P[5](C[6a]C[6a]2)(C[5]B[5]CH)(C[5]C[5]HH)(BC[6a]HH){1|S<3>,2|C<4>,2|H<1>,3|C<3>}	110.8910	0.000	1	110.8910	0.000	1	110.8910	0.000	1	110.7355	0.048	2	114.4597	7.240	54	114.6149	7.765	71
474	490	955	0:SP3_SP3_SP3	C[5]	C	P[5]	4:4:4:1:	4:1:1:1:	3:4:4:4:	B[5]-4:P[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:C-4:	C[5](B[5]C[6a]C[5]O)(P[5]C[6a]C[5]C)(CH3)(H)	C(C[5]B[5]P[5]H)(H)3	P[5](C[6a]C[6a]2)(C[5]B[5]CH)(C[5]C[5]HH)(CC[6a]CH)	C[5](B[5]C[6a]C[5]O)(P[5]C[6a]C[5]C)(CH3)(H){4|C<3>,4|H<1>}	C(C[5]B[5]P[5]H)(H)3	P[5](C[6a]C[6a]2)(C[5]B[5]CH)(C[5]C[5]HH)(CC[6a]CH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	110.5800	0.000	1	110.5800	0.000	1	110.5800	0.000	1	110.7355	0.048	2	114.4597	7.240	54	114.6149	7.765	71
474	490	955	0:SP3_SP3_SP3	C[5]	C	P[5]	4:4:4:1:	4:1:1:1:	4:3:4:4:	C[5]-4:P[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5](C[5]B[5]HH)(P[5]N[5]CC)(CH3)(H)	C(C[5]C[5]P[5]H)(H)3	P[5](C[5]C[5]CH)(N[5]B[5]Si)(CC3)2	C[5](C[5]B[5]HH)(P[5]N[5]CC)(CH3)(H){1|Si<4>,2|C<3>}	C(C[5]C[5]P[5]H)(H)3	P[5](C[5]C[5]CH)(N[5]B[5]Si)(CC3)2{2|C<3>,2|H<1>}	122.3160	0.000	1	122.3160	0.000	1	122.3160	0.000	1	122.3160	0.000	1	114.4597	7.240	54	114.6149	7.765	71
474	490	955	0:SP3_SP3_SP3	C[5]	C	P[5]	4:4:4:1:	4:1:1:1:	4:4:4:1:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:Se-1:	C[5](P[5]C[5]2Se)(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]P[5]H)(H)3	P[5](C[5]C[5]2Fe)(C[5]C[5]CH)2(Se)	C[5](P[5]C[5]2Se)(C[5]C[5]HH)(CH3)(H){1|Fe<10>,3|C<4>,3|H<1>}	C(C[5]C[5]P[5]H)(H)3	P[5](C[5]C[5]2Fe)(C[5]C[5]CH)2(Se){2|C<4>,6|H<1>}	114.2830	0.187	4	114.2830	0.035	4	114.2830	0.035	4	114.2830	0.035	4	114.4597	7.240	54	114.6149	7.765	71
474	490	955	0:SP3_SP3_SP3	C[5]	C	P[5]	4:4:4:1:	4:1:1:1:	4:4:4:4:	C[5]-4:P[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:B-4:C-4:	C[5](C[5]C[5]HH)(P[5]C[5]BC)(CH3)(H)	C(C[5]C[5]P[5]H)(H)3	P[5](C[5]C[5]CH)(C[5]C[5]HH)(BH3)(CC3)	C[5](C[5]C[5]HH)(P[5]C[5]BC)(CH3)(H){4|H<1>}	C(C[5]C[5]P[5]H)(H)3	P[5](C[5]C[5]CH)(C[5]C[5]HH)(BH3)(CC3){4|H<1>}	114.3900	0.000	1	114.3900	0.000	1	114.3900	0.000	1	114.3900	0.000	1	114.4597	7.240	54	114.6149	7.765	71
474	490	955	0:SP3_SP3_SP3	C[5]	C	P[5]	4:4:4:1:	4:2:1:1:	3:4:4:1:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:O-1:	C[5](P[5]C[6a]C[5]O)(C[5]C[5]HH)(CHHO)(H)	C(C[5]C[5]P[5]H)(OH)(H)2	P[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(O)	C[5](P[5]C[6a]C[5]O)(C[5]C[5]HH)(CHHO)(H){2|C<3>,4|H<1>}	C(C[5]C[5]P[5]H)(OH)(H)2	P[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(O){2|C<3>,6|H<1>}	116.8430	0.000	1	116.8430	0.000	1	116.8430	0.000	1	116.8430	0.000	1	114.4597	7.240	54	114.6149	7.765	71
474	490	955	0:SP3_SP3_SP3	C[5]	C	P[5]	4:4:4:1:	4:3:1:1:	3:4:4:1:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:B-1:	C[5](P[5]C[6a]C[5]B)(C[5]C[5]HH)(CC[6a]HH)(H)	C(C[5]C[5]P[5]H)(C[6a]C[6a]2)(H)2	P[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(B)	C[5](P[5]C[6a]C[5]B)(C[5]C[5]HH)(CC[6a]HH)(H){2|C<3>,4|H<1>}	C(C[5]C[5]P[5]H)(C[6a]C[6a]2)(H)2	P[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(B){2|C<3>,6|H<1>}	115.0950	0.338	2	115.0950	0.114	2	115.0950	0.114	2	115.0950	0.114	2	114.4597	7.240	54	114.6149	7.765	71
474	490	955	0:SP3_SP3_SP3	C[5]	C	P[5]	4:4:4:1:	4:3:2:1:	3:4:4:4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:N-2:H-1:	C[6a]-3:C[5]-4:C[5]-4:B-4:	C[5](P[5]C[6a]C[5]B)(C[5]C[5]HH)(CC[6a]HN)(H)	C(C[5]C[5]P[5]H)(C[6a]C[6a]2)(NS)(H)	P[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(BH3)	C[5](P[5]C[6a]C[5]B)(C[5]C[5]HH)(CC[6a]HN)(H){2|C<3>,4|H<1>}	C(C[5]C[5]P[5]H)(C[6a]C[6a]2)(NS)(H)	P[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(BH3){2|C<3>,6|H<1>}	112.1100	0.523	2	112.1100	0.274	2	112.1100	0.274	2	112.1100	0.274	2	114.4597	7.240	54	114.6149	7.765	71
474	490	955	0:SP3_SP3_SP3	C[5]	C	P[5]	4:4:4:1:	4:3:3:1:	3:4:4:4:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:N-3:H-1:	C[6a]-3:C[5]-4:C[5]-4:B-4:	C[5](P[5]C[6a]C[5]B)(C[5]C[5]HH)(CC[6a]HN)(H)	C(C[5]C[5]P[5]H)(C[6a]C[6a]2)(NHS)(H)	P[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(BH3)	C[5](P[5]C[6a]C[5]B)(C[5]C[5]HH)(CC[6a]HN)(H){2|C<3>,4|H<1>}	C(C[5]C[5]P[5]H)(C[6a]C[6a]2)(NHS)(H)	P[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(BH3){2|C<3>,6|H<1>}	114.7570	0.496	2	114.7570	0.246	2	114.7570	0.246	2	114.7570	0.246	2	114.4597	7.240	54	114.6149	7.765	71
474	490	955	0:SP3_SP3_SP3	C[5]	C	P[5]	4:4:4:1:	4:4:1:1:	3:3:4:4:	B[5]-4:P[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C[5]-4:	C[5](B[5]C[6a]2O[5])(P[5]C[6a]2C[5])(CCHH)(H)	C(C[5]B[5]P[5]H)(CH3)(H)2	P[5](C[6a]C[6a]2)2(C[5]B[5]CH)(C[5]O[5]CH)	C[5](B[5]C[6a]2O[5])(P[5]C[6a]2C[5])(CCHH)(H){1|H<1>,9|C<3>}	C(C[5]B[5]P[5]H)(CH3)(H)2	P[5](C[6a]C[6a]2)2(C[5]B[5]CH)(C[5]O[5]CH){4|F<1>,6|C<3>}	109.6610	0.000	1	109.6610	0.000	1	109.6610	0.000	1	109.6610	0.000	1	114.4597	7.240	54	114.6149	7.765	71
474	490	955	0:SP3_SP3_SP3	C[5]	C	P[5]	4:4:4:1:	4:4:1:1:	3:4:4:4:	C[5]-4:P[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5](C[5]B[5]HH)(P[5]N[5]CC)(CCHH)(H)	C(C[5]C[5]P[5]H)(CCHH)(H)2	P[5](N[5]C[6a]B[5])(C[5]C[5]CH)(CC3)2	C[5](C[5]B[5]HH)(P[5]N[5]CC)(CCHH)(H){3|C<3>}	C(C[5]C[5]P[5]H)(CCHH)(H)2	P[5](N[5]C[6a]B[5])(C[5]C[5]CH)(CC3)2{2|H<1>,4|C<3>}	119.6750	0.000	1	119.6750	0.000	1	117.8060	6.986	2	117.8060	6.986	2	114.4597	7.240	54	114.6149	7.765	71
474	490	955	0:SP3_SP3_SP3	C[5]	C	P[5]	4:4:4:1:	4:4:1:1:	3:4:4:4:	C[5]-4:P[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:C-4:	C[5](C[5]B[5]HH)(P[5]N[5]CC)(CCHH)(H)	C(C[5]C[5]P[5]H)(CCHH)(H)2	P[5](N[5]C[6a]B[5])(C[5]C[5]CH)(CCCH)2	C[5](C[5]B[5]HH)(P[5]N[5]CC)(CCHH)(H){3|C<3>}	C(C[5]C[5]P[5]H)(CCHH)(H)2	P[5](N[5]C[6a]B[5])(C[5]C[5]CH)(CCCH)2{2|H<1>,4|C<3>}	115.9370	0.000	1	115.9370	0.000	1	117.8060	6.986	2	117.8060	6.986	2	114.4597	7.240	54	114.6149	7.765	71
474	490	955	0:SP3_SP3_SP3	C[5]	C	P[5]	4:4:4:1:	4:4:1:1:	4:3:3:4:	B[5]-4:P[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[5](B[5]C[6a]2O[5])(P[5]C[6a]2C[5])(CCHH)(H)	C(C[5]B[5]P[5]H)(CH3)(H)2	P[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)2(C[5]B[5]CH)	C[5](B[5]C[6a]2O[5])(P[5]C[6a]2C[5])(CCHH)(H){1|H<1>,9|C<3>}	C(C[5]B[5]P[5]H)(CH3)(H)2	P[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)2(C[5]B[5]CH){4|F<1>,8|C<3>}	121.0870	0.000	1	121.0870	0.000	1	121.0870	0.000	1	121.0870	0.000	1	114.4597	7.240	54	114.6149	7.765	71
474	490	955	0:SP3_SP3_SP3	C[5]	C	P[5]	4:4:4:1:	4:4:1:1:	4:4:4:1:	P[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:Se-1:	C[5](P[5]C[5]SeC)(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5]P[5]H)(CCHH)(H)2	P[5](C[5]C[5]CH)2(CCHH)(Se)	C[5](P[5]C[5]SeC)(C[5]C[5]HH)(CCHH)(H){1|C<4>,3|H<1>}	C(C[5]C[5]P[5]H)(CCHH)(H)2	P[5](C[5]C[5]CH)2(CCHH)(Se){4|H<1>}	115.0902	1.607	4	115.0902	2.583	4	115.0902	2.583	4	115.0902	2.583	4	114.4597	7.240	54	114.6149	7.765	71
474	490	955	0:SP3_SP3_SP3	C[5]	C	P[5]	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5]-4:P[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5](C[5]C[5]HH)(P[5]C[5]CC)(CCHH)(H)	C(C[5]C[5]P[5]H)(CCHH)(H)2	P[5](C[5]C[5]CH)2(CHHO)2	C[5](C[5]C[5]HH)(P[5]C[5]CC)(CCHH)(H){1|C<4>,3|H<1>}	C(C[5]C[5]P[5]H)(CCHH)(H)2	P[5](C[5]C[5]CH)2(CHHO)2{4|H<1>}	114.5765	2.637	2	114.5765	6.953	2	114.5765	6.953	2	114.5765	6.953	2	114.4597	7.240	54	114.6149	7.765	71
474	490	955	0:SP3_SP3_SP3	C[5]	C	P[5]	4:4:4:2:	4:1:1:1:	4:4:2:1:	C[5]-4:P[5]-4:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-2:O-1:	C[5](C[5]C[5,6]HH)(P[5]C[5,6]OO)(CH3)(OH)	C(C[5]C[5]P[5]O)(H)3	P[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CO)(OH)(O)	C[5](C[5]C[5,6]HH)(P[5]C[5,6]OO)(CH3)(OH){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]P[5]O)(H)3	P[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CO)(OH)(O){2|C<4>,5|H<1>}	113.9890	0.000	1	113.9890	0.000	1	113.9890	0.000	1	113.9890	0.000	1	114.4597	7.240	54	114.6149	7.765	71
474	490	955	0:SP3_SP3_SP3	C[5]	C	P[5]	4:4:4:4:	4:1:1:1:	3:4:4:1:	P[5]-4:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:O-1:	C[5](P[5]C[6a]C[5]O)(C[5]C[5]HH)(CH3)2	C(C[5]C[5]P[5]C)(H)3	P[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(O)	C[5](P[5]C[6a]C[5]O)(C[5]C[5]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C(C[5]C[5]P[5]C)(H)3	P[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)(O){1|P<3>,2|C<3>,5|H<1>}	111.6365	2.532	4	111.6365	6.413	4	111.6365	6.413	4	111.6365	6.413	4	114.4597	7.240	54	114.6149	7.765	71
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	3:2:4:3:	4:1:1:1:	4:3:1:	C[5]-3:O[5]-2:C-4:N-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C-3:H-1:	C[5](C[5]N[5,6]O)(O[5]C[5,6])(CH3)(NCH)	C(C[5]C[5]O[5]N)(H)3	N(C[5]C[5]O[5]C)(CC[6]O)(H)	C[5](C[5]N[5,6]O)(O[5]C[5,6])(CH3)(NCH){1|O<2>,2|C<4>}	C(C[5]C[5]O[5]N)(H)3	N(C[5]C[5]O[5]C)(CC[6]O)(H)	108.3070	1.433	2	108.3070	2.052	2	108.3070	2.052	2	108.3070	2.052	2	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	3:3:3:4:	4:1:1:1:	3:4:1:	C[5]-3:C[5]-3:N-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:H-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(NC[6a]H)(CH3)	C(C[5]C[5]2N)(H)3	N(C[6a]C[6a]2)(C[5]C[5]2C)(H)	C[5](C[5]C[5]C)(C[5]N[5]O)(NC[6a]H)(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]2N)(H)3	N(C[6a]C[6a]2)(C[5]C[5]2C)(H)	107.7550	0.000	1	107.7550	0.000	1	107.7550	0.000	1	107.7550	0.000	1	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	3:3:3:4:	4:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:N-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC[6a]H)(CH3)	C(C[5]C[5,6a]C[5]N)(H)3	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC[6a]H)(CH3){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(H)3	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	107.3110	0.000	1	107.3110	0.000	1	107.3110	0.000	1	107.3110	0.000	1	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	3:3:3:4:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:N-3:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(CCHH)	C(C[5]C[5,6a]C[5]N)(CCH)(H)2	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]N)(CCH)(H)2	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	108.4440	0.000	1	108.4440	0.000	1	108.4440	0.000	1	108.4440	0.000	1	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	3:3:3:4:	4:3:2:1:	4:3:1:	C[5,6a]-3:C[5]-3:N-3:C-4:	C[5]-4:C-3:O-2:H-1:	C[5]-4:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(CCHO)	C(C[5]C[5,6a]C[5]N)(CCO)(OS)(H)	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(CCHO){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(CCO)(OS)(H)	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	109.3880	0.000	1	109.3880	0.000	1	109.3880	0.000	1	109.3880	0.000	1	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	3:3:3:4:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:N-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC[6a]H)(CCHH)	C(C[5]C[5,6a]C[5]N)(CHHN)(H)2	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC[6a]H)(CCHH){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(CHHN)(H)2	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	105.5800	0.000	1	105.5800	0.000	1	105.5800	0.000	1	105.9853	0.338	3	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	3:3:3:4:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:N-3:C-4:	C[5]-4:Si-4:H-1:H-1:	C[5]-4:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]H)(CSiHH)	C(C[5]C[5,6a]C[5]N)(SiC3)(H)2	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]H)(CSiHH){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]N)(SiC3)(H)2	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	106.1880	0.655	2	106.1880	0.429	2	106.1880	0.429	2	105.9853	0.338	3	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	3:3:3:4:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:N-3:C-4:	C[5]-4:C-4:C-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(CCCH)	C(C[5]C[5,6a]C[5]N)(CHHN)(COO)(H)	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(CHHN)(COO)(H)	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	108.6880	0.000	1	108.6880	0.000	1	108.6880	0.000	1	108.6880	0.000	1	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	3:3:4:3:	3:4:3:2:	4:3:1:	C[5]-3:C[5]-3:C-4:N-3:	C[6a]-3:C[5]-4:C-3:O-2:	C[5]-4:C-3:H-1:	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]CO)(NCH)	C(C[6a]C[6a]2)(C[5]C[5]2N)(COO)(OC)	N(C[5]C[5]2C)(COO)(H)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]CO)(NCH){1|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2N)(COO)(OC)	N(C[5]C[5]2C)(COO)(H)	112.3470	0.000	1	112.3470	0.000	1	112.3470	0.000	1	112.3470	0.000	1	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	3:3:4:3:	4:1:1:1:	4:1:1:	C[5,6a]-3:C[5,6]-3:C-4:N-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O-1:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CH3)(NOO)	C(C[5]C[5,6a]C[5,6]N)(H)3	N(C[5]C[5,6a]C[5,6]C)(O)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CH3)(NOO){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5,6]N)(H)3	N(C[5]C[5,6a]C[5,6]C)(O)2	109.1140	0.000	1	109.1140	0.000	1	109.1140	0.000	1	109.1140	0.000	1	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	3:3:4:3:	4:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:F-1:F-1:F-1:	C[5]-4:S-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CF3)(NHS)	C(C[5]C[5,6a]C[5]N)(F)3	N(C[5]C[5,6a]C[5]C)(SCO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CF3)(NHS){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]N)(F)3	N(C[5]C[5,6a]C[5]C)(SCO)(H)	108.2695	0.262	2	108.2695	0.069	2	108.2695	0.069	2	108.2695	0.069	2	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	3:3:4:3:	4:1:1:1:	4:3:2:	C[5]-3:C[5]-3:C-4:N-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C-3:O-2:	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)(NCO)	C(C[5]C[5]2N)(H)3	N(C[5]C[5]2C)(CNO)(OH)	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)(NCO){1|C<3>}	C(C[5]C[5]2N)(H)3	N(C[5]C[5]2C)(CNO)(OH)	109.2240	0.000	1	109.2240	0.000	1	109.2240	0.000	1	109.2240	0.000	1	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	3:3:4:3:	4:1:1:1:	4:4:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:P-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CH3)(NHP)	C(C[5]C[5,6a]C[5]N)(H)3	N(C[5]C[5,6a]C[5]C)(PC[6a]2O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CH3)(NHP){3|C<3>}	C(C[5]C[5,6a]C[5]N)(H)3	N(C[5]C[5,6a]C[5]C)(PC[6a]2O)(H)	109.6500	0.035	2	109.6500	0.001	2	109.6500	0.001	2	109.6500	0.001	2	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	3:3:4:3:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NCH)	C(C[5]C[5,6a]C[5]N)(CC[6a]C)(H)2	N(C[5]C[5,6a]C[5]C)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(CC[6a]C)(H)2	N(C[5]C[5,6a]C[5]C)(COO)(H)	105.2520	0.000	1	105.2520	0.000	1	104.9760	0.152	2	106.5531	6.535	8	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	3:3:4:3:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NCH)	C(C[5]C[5,6a]C[5]N)(COO)(H)2	N(C[5]C[5,6a]C[5]C)(CNO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(COO)(H)2	N(C[5]C[5,6a]C[5]C)(CNO)(H)	104.7000	0.000	1	104.7000	0.000	1	104.9760	0.152	2	106.5531	6.535	8	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	3:3:4:3:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C[5a]-3:H-1:H-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(NCH)	C(C[5]C[5,6a]C[5]N)(C[5a]C[5a]O[5a])(H)2	N(C[5]C[5,6a]C[5]C)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(C[5a]C[5a]O[5a])(H)2	N(C[5]C[5,6a]C[5]C)(COO)(H)	107.2110	0.000	1	107.2110	0.000	1	107.2110	0.000	1	106.5531	6.535	8	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	3:3:4:3:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C[6]-3:H-1:H-1:	C[5]-4:S-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]HH)(NHS)	C(C[5]C[5,6a]C[5]N)(C[6]C[6]O[6])(H)2	N(C[5]C[5,6a]C[5]C)(SCO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]HH)(NHS){1|Br<1>,1|C<4>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(C[6]C[6]O[6])(H)2	N(C[5]C[5,6a]C[5]C)(SCO)(H)	106.6880	0.000	1	106.6880	0.000	1	106.6880	0.000	1	106.5531	6.535	8	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	3:3:4:3:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(NCH)	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(H)2	N(C[5]C[5,6a]C[5]C)(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(NCH){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(H)2	N(C[5]C[5,6a]C[5]C)(CC[6a]O)(H)	108.7420	0.000	1	108.7420	0.000	1	108.7420	0.000	1	106.5531	6.535	8	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	3:3:4:3:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]O)(CHHN)(NCH)	C(C[5]C[5,6a]C[5]N)(NOO)(H)2	N(C[5]C[5,6a]C[5]C)(COO)(H)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]O)(CHHN)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(NOO)(H)2	N(C[5]C[5,6a]C[5]C)(COO)(H)	103.9420	0.000	1	103.9420	0.000	1	104.1870	0.120	2	106.5531	6.535	8	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	3:3:4:3:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHN)(NCH)	C(C[5]C[5,6a]C[5]N)(NOO)(H)2	N(C[5]C[5,6a]C[5]C)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHN)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(NOO)(H)2	N(C[5]C[5,6a]C[5]C)(COO)(H)	104.4320	0.000	1	104.4320	0.000	1	104.1870	0.120	2	106.5531	6.535	8	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	3:3:4:3:	4:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:N-3:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)(NCH)	C(C[5]C[5]2N)(CCH)(H)2	N(C[5]C[5]2C)(CC[6a]O)(H)	C[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2N)(CCH)(H)2	N(C[5]C[5]2C)(CC[6a]O)(H)	111.4580	0.000	1	111.4580	0.000	1	111.4580	0.000	1	106.5531	6.535	8	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	3:3:4:3:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C-3:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(NCN)	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(H)2	N(C[5]C[5,6a]C[5]C)(COO)(NCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(NCN){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(H)2	N(C[5]C[5,6a]C[5]C)(COO)(NCH)	107.9130	0.061	2	107.9130	0.004	2	107.9130	0.004	2	107.9130	0.004	2	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	3:3:4:3:	4:3:1:1:	4:4:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NCH)	C(C[5]C[5,6a]C[5]N)(CCH)(H)2	N(C[5]C[5,6a]C[5]C)(CCCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(CCH)(H)2	N(C[5]C[5,6a]C[5]C)(CCCH)(H)	113.6820	0.000	1	113.6820	0.000	1	113.6820	0.000	1	112.1200	4.880	2	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	3:3:4:3:	4:3:1:1:	4:4:1:	C[5]-3:N[5]-3:C-4:N-3:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C-4:H-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HH)(NCH)	C(C[5]C[5]N[5]N)(C[6a]C[6a]2)(H)2	N(C[5]C[5]N[5]C)(CCHH)(H)	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HH)(NCH){1|C<4>,1|S<1>}	C(C[5]C[5]N[5]N)(C[6a]C[6a]2)(H)2	N(C[5]C[5]N[5]C)(CCHH)(H)	110.5580	0.000	1	110.5580	0.000	1	110.5580	0.000	1	112.1200	4.880	2	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	3:3:4:3:	4:3:2:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C-3:N-2:H-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHN)(NCH)	C(C[5]C[5,6a]C[5]N)(COO)(NC)(H)	N(C[5]C[5,6a]C[5]C)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHN)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(COO)(NC)(H)	N(C[5]C[5,6a]C[5]C)(COO)(H)	108.4470	0.503	2	108.4470	0.253	2	108.4470	0.253	2	108.4470	0.253	2	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	3:3:4:3:	4:3:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(NCH)	C(C[5]C[5,6a]C[5]N)(CCO)2(H)	N(C[5]C[5,6a]C[5]C)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(CCO)2(H)	N(C[5]C[5,6a]C[5]C)(COO)(H)	110.2110	0.000	1	110.2110	0.000	1	110.2110	0.000	1	107.1271	4.038	9	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	3:3:4:3:	4:3:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C[6a]-3:C-3:H-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(NCH)	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(CCH)(H)	N(C[5]C[5,6a]C[5]C)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(CCH)(H)	N(C[5]C[5,6a]C[5]C)(COO)(H)	108.0100	1.223	2	108.0100	1.496	2	106.2450	3.010	6	107.1271	4.038	9	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	3:3:4:3:	4:3:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C[6a]-3:C-3:H-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(NCH)	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(CN[5a]O)(H)	N(C[5]C[5,6a]C[5]C)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(CN[5a]O)(H)	N(C[5]C[5,6a]C[5]C)(COO)(H)	105.3625	1.185	4	105.3625	1.403	4	106.2450	3.010	6	107.1271	4.038	9	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	3:3:4:3:	4:3:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C[6a]-3:N-3:H-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(NCH)	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(NOO)(H)	N(C[5]C[5,6a]C[5]C)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(NOO)(H)	N(C[5]C[5,6a]C[5]C)(COO)(H)	108.7950	0.000	1	108.7950	0.000	1	108.7950	0.000	1	107.1271	4.038	9	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	3:3:4:3:	4:3:3:1:	4:3:1:	C[5,6a]-3:N[5]-3:C-4:N-3:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CC[6a]2H)(NC[6a]H)	C(C[5]C[5,6a]N[5]N)(C[6a]C[6a]2)2(H)	N(C[5]C[5,6a]N[5]C)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CC[6a]2H)(NC[6a]H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]N[5]N)(C[6a]C[6a]2)2(H)	N(C[5]C[5,6a]N[5]C)(C[6a]C[6a]2)(H)	107.6680	0.000	1	107.6680	0.000	1	107.6680	0.000	1	107.1271	4.038	9	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	3:3:4:3:	4:3:3:2:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C[6a]-3:C-3:N-2:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CN)(NCH)	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(COO)(NC)	N(C[5]C[5,6a]C[5]C)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CN)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(COO)(NC)	N(C[5]C[5,6a]C[5]C)(COO)(H)	108.3990	0.000	1	108.3990	0.000	1	108.3990	0.000	1	109.1562	0.767	5	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	3:3:4:3:	4:3:3:2:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C[6a]-3:C-3:O-2:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CO)(NCH)	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(COO)(OC)	N(C[5]C[5,6a]C[5]C)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CO)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(COO)(OC)	N(C[5]C[5,6a]C[5]C)(COO)(H)	109.3455	0.886	4	109.3455	0.784	4	109.3455	0.784	4	109.1562	0.767	5	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	3:3:4:3:	4:3:4:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C[5a]-3:C-4:H-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(NCH)	C(C[5]C[5,6a]C[5]N)(C[5a]C[5a]S[5a])(CHHN)(H)	N(C[5]C[5,6a]C[5]C)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(C[5a]C[5a]S[5a])(CHHN)(H)	N(C[5]C[5,6a]C[5]C)(COO)(H)	108.3950	0.000	1	108.3950	0.000	1	108.3950	0.000	1	108.3950	0.000	1	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	3:3:4:3:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C-4:H-1:H-1:	C[5]-4:S-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NHS)	C(C[5]C[5,6a]C[5]N)(CH3)(H)2	N(C[5]C[5,6a]C[5]C)(SCO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NHS){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(CH3)(H)2	N(C[5]C[5,6a]C[5]C)(SCO)(H)	107.1960	0.000	1	107.1960	0.000	1	108.5370	3.597	2	108.5370	3.597	2	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	3:3:4:3:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C-4:H-1:H-1:	C[5]-4:S-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NHS)	C(C[5]C[5,6a]C[5]N)(CHHN)(H)2	N(C[5]C[5,6a]C[5]C)(SCO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NHS){2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5]N)(CHHN)(H)2	N(C[5]C[5,6a]C[5]C)(SCO)(H)	109.8780	0.000	1	109.8780	0.000	1	108.5370	3.597	2	108.5370	3.597	2	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	3:3:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C-4:N-3:H-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHN)(NCH)	C(C[5]C[5,6a]C[5]N)(CH3)(NOO)(H)	N(C[5]C[5,6a]C[5]C)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHN)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(CH3)(NOO)(H)	N(C[5]C[5,6a]C[5]C)(COO)(H)	111.6330	0.000	1	111.6330	0.000	1	111.6330	0.000	1	111.7395	0.023	2	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	3:3:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:S-4:N-3:F-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CFNS)(NCH)	C(C[5]C[5,6a]C[5]N)(SC[6a]OO)(NOO)(F)	N(C[5]C[5,6a]C[5]C)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CFNS)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(SC[6a]OO)(NOO)(F)	N(C[5]C[5,6a]C[5]C)(COO)(H)	111.8460	0.000	1	111.8460	0.000	1	111.8460	0.000	1	111.7395	0.023	2	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	3:3:4:3:	4:4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C-4:C-3:C-3:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC3)(NCH)	C(C[5]C[5,6a]C[5]N)(CH3)(COO)(COS)	N(C[5]C[5,6a]C[5]C)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC3)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(CH3)(COO)(COS)	N(C[5]C[5,6a]C[5]C)(COO)(H)	110.6900	0.583	2	110.6900	0.339	2	110.6900	0.339	2	109.8963	2.059	3	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	3:3:4:3:	4:4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C-4:C-3:N-3:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCN)(NCH)	C(C[5]C[5,6a]C[5]N)(CH3)(COO)(NHS)	N(C[5]C[5,6a]C[5]C)(CC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCN)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(CH3)(COO)(NHS)	N(C[5]C[5,6a]C[5]C)(CC[6a]O)(H)	108.3090	0.000	1	108.3090	0.000	1	108.3090	0.000	1	109.8963	2.059	3	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	3:4:2:3:	4:3:1:1:	4:3:1:	C[5]-3:C-4:O[5]-2:N-3:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C-3:H-1:	C[5](C[5]N[5]O)(CC[6a]HH)(O[5]C[5])(NCH)	C(C[5]C[5]O[5]N)(C[6a]C[6a]2)(H)2	N(C[5]C[5]O[5]C)(CC[6a]O)(H)	C[5](C[5]N[5]O)(CC[6a]HH)(O[5]C[5])(NCH){1|C<3>,1|H<1>,1|S<4>}	C(C[5]C[5]O[5]N)(C[6a]C[6a]2)(H)2	N(C[5]C[5]O[5]C)(CC[6a]O)(H)	109.0590	0.000	1	109.0590	0.000	1	109.0590	0.000	1	109.0590	0.000	1	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	4:2:4:3:	4:1:1:1:	4:3:1:	P[5]-4:S[5]-2:C-4:N-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C-3:H-1:	C[5](P[5]C[5,6a]C[6a]2)(S[5]C[5,6a])(CH3)(NCH)	C(C[5]P[5]S[5]N)(H)3	N(C[5]P[5]S[5]C)(CCO)(H)	C[5](P[5]C[5,6a]C[6a]2)(S[5]C[5,6a])(CH3)(NCH){6|C<3>}	C(C[5]P[5]S[5]N)(H)3	N(C[5]P[5]S[5]C)(CCO)(H)	109.0500	0.000	1	109.0500	0.000	1	109.0500	0.000	1	109.0500	0.000	1	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	4:2:4:3:	4:3:1:1:	4:3:1:	C[5,5]-4:O[5]-2:C-4:N-3:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C-3:H-1:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHH)(NCH)	C(C[5]C[5,5]O[5]N)(COO)(H)2	N(C[5]C[5,5]O[5]C)(CNO)(H)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHH)(NCH){1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[5,5]O[5]N)(COO)(H)2	N(C[5]C[5,5]O[5]C)(CNO)(H)	112.2620	0.000	1	112.2620	0.000	1	112.2620	0.000	1	112.2620	0.000	1	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	4:2:4:3:	4:4:1:1:	4:4:3:	C[5]-4:O[5]-2:C-4:N-3:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:C-3:	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CCHH)(NCC)	C(C[5]C[5]O[5]N)(CCHH)(H)2	N(C[5]C[5]O[5]C)(CCHH)(COO)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CCHH)(NCC){2|C<4>,2|H<1>}	C(C[5]C[5]O[5]N)(CCHH)(H)2	N(C[5]C[5]O[5]C)(CCHH)(COO)	109.4330	0.000	1	109.4330	0.000	1	109.4330	0.000	1	109.4330	0.000	1	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	4:2:4:3:	4:4:4:4:	4:4:4:	C[5]-4:O[5]-2:C-4:N-3:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C-4:C-4:	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CC3)(NCC)	C(C[5]C[5]O[5]N)(CH3)3	N(C[5]C[5]O[5]C)(CCCH)2	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CC3)(NCC){1|H<1>,3|C<3>}	C(C[5]C[5]O[5]N)(CH3)3	N(C[5]C[5]O[5]C)(CCCH)2	112.8500	0.000	1	112.8500	0.000	1	112.8500	0.000	1	112.8500	0.000	1	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	4:3:4:3:	3:4:1:1:	4:1:1:	C[5]-4:N[5]-3:C-4:N-3:	C[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:H-1:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]HH)(NHH)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]N)(H)2	N(C[5]C[5]N[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]HH)(NHH){1|O<1>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]N)(H)2	N(C[5]C[5]N[5]C)(H)2	109.7690	0.000	1	109.7690	0.000	1	109.7690	0.000	1	109.7690	0.000	1	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	4:3:4:3:	3:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:N-3:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[6a]HH)(NCH)	C(C[6a]C[6a]2)(C[5]C[5]2N)(H)2	N(C[5]C[5]2C)(CC[6a]O)(H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[6a]HH)(NCH){1|C<4>,1|H<1>,1|S<2>}	C(C[6a]C[6a]2)(C[5]C[5]2N)(H)2	N(C[5]C[5]2C)(CC[6a]O)(H)	107.7850	0.000	1	107.7850	0.000	1	110.1505	1.269	8	109.5311	2.866	10	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	4:3:4:3:	3:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:N-3:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[6a]N[5]H)(C[5]O[5]O)(CC[6a]HH)(NCH)	C(C[6a]C[6a]2)(C[5]C[5]2N)(H)2	N(C[5]C[5]2C)(CC[6a]O)(H)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]O)(CC[6a]HH)(NCH){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2N)(H)2	N(C[5]C[5]2C)(CC[6a]O)(H)	110.5777	0.656	6	110.5777	0.430	6	110.1505	1.269	8	109.5311	2.866	10	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	4:3:4:3:	3:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:N-3:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C-3:H-1:	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(CC[6a]HH)(NCH)	C(C[6a]C[6a]2)(C[5]C[5]2N)(H)2	N(C[5]C[5]2C)(CC[6a]O)(H)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(CC[6a]HH)(NCH){1|C<4>,3|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2N)(H)2	N(C[5]C[5]2C)(CC[6a]O)(H)	109.9530	0.000	1	109.9530	0.000	1	110.1505	1.269	8	109.5311	2.866	10	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	4:3:4:3:	3:4:1:1:	4:3:1:	C[5]-4:N[5]-3:C-4:N-3:	C[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]HH)(NCH)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]N)(H)2	N(C[5]C[5]N[5]C)(CCO)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]HH)(NCH){1|O<1>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]N)(H)2	N(C[5]C[5]N[5]C)(CCO)(H)	107.9400	0.000	1	107.9400	0.000	1	107.0535	1.572	2	109.5311	2.866	10	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	4:3:4:3:	3:4:1:1:	4:3:1:	C[5]-4:N[5]-3:C-4:N-3:	C[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]HH)(NCH)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]N)(H)2	N(C[5]C[5]N[5]C)(COO)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]HH)(NCH){1|O<1>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]N)(H)2	N(C[5]C[5]N[5]C)(COO)(H)	106.1670	0.000	1	106.1670	0.000	1	107.0535	1.572	2	109.5311	2.866	10	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	4:3:4:3:	4:1:1:1:	4:1:1:	C[5]-4:C[5]-3:C-4:N-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O-1:O-1:	C[5](C[5]C[5a]C[5]H)(C[5]N[5]H)(CH3)(NOO)	C(C[5]C[5]2N)(H)3	N(C[5]C[5]2C)(O)2	C[5](C[5]C[5a]C[5]H)(C[5]N[5]H)(CH3)(NOO){1|H<1>,3|C<3>}	C(C[5]C[5]2N)(H)3	N(C[5]C[5]2C)(O)2	107.9340	0.000	1	107.9340	0.000	1	107.9340	0.000	1	107.9340	0.000	1	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	4:3:4:3:	4:1:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:N-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(NCH)	C(C[5]C[5,6]C[5]N)(H)3	N(C[5]C[5,6]C[5]C)(CC[6a]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(NCH){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6]C[5]N)(H)3	N(C[5]C[5,6]C[5]C)(CC[6a]O)(H)	107.8015	0.643	2	107.8015	0.413	2	109.1120	5.359	3	107.7599	3.471	8	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	4:3:4:3:	4:1:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:N-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C-3:H-1:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(NCH)	C(C[5]C[5,6]C[5]N)(H)3	N(C[5]C[5,6]C[5]C)(CCO)(H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(NCH){1|H<1>,2|C<4>}	C(C[5]C[5,6]C[5]N)(H)3	N(C[5]C[5,6]C[5]C)(CCO)(H)	111.7330	0.000	1	111.7330	0.000	1	109.1120	5.359	3	107.7599	3.471	8	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	4:3:4:3:	4:1:1:1:	4:3:1:	C[5]-4:N[5]-3:C-4:N-3:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CF3)(NCH)	C(C[5]C[5]N[5]N)(F)3	N(C[5]C[5]N[5]C)(CCO)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CF3)(NCH){1|H<1>,1|O<1>,1|O<2>}	C(C[5]C[5]N[5]N)(F)3	N(C[5]C[5]N[5]C)(CCO)(H)	106.8820	1.392	2	106.8820	1.937	2	106.8820	1.937	2	107.7599	3.471	8	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	4:3:4:3:	4:1:1:1:	4:3:1:	C[5]-4:N[5]-3:C-4:N-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(NCH)	C(C[5]C[5]N[5]N)(H)3	N(C[5]C[5]N[5]C)(COO)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(NCH){1|O<1>,2|H<1>}	C(C[5]C[5]N[5]N)(H)3	N(C[5]C[5]N[5]C)(COO)(H)	106.4050	0.881	2	106.4050	0.776	2	106.4050	0.776	2	107.7599	3.471	8	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	4:3:4:3:	4:1:1:1:	4:3:1:	C[5]-4:N[5]-3:C-4:N-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N-3:H-1:	C[5](C[5]C[5]HH)(N[5]N[5]C)(CH3)(NHN)	C(C[5]C[5]N[5]N)(H)3	N(C[5]C[5]N[5]C)(NCH)(H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(CH3)(NHN){1|C<4>}	C(C[5]C[5]N[5]N)(H)3	N(C[5]C[5]N[5]C)(NCH)(H)	108.1690	0.000	1	108.1690	0.000	1	108.1690	0.000	1	107.7599	3.471	8	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	4:3:4:3:	4:3:1:1:	4:3:1:	C[5,5]-4:C[5]-3:C-4:N-3:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C-3:H-1:	C[5](C[5,5]N[5,5]C[3]C[5])(C[5]O[5]O)(CC[6a]HH)(NCH)	C(C[5]C[5,5]C[5]N)(C[6a]C[6a]2)(H)2	N(C[5]C[5,5]C[5]C)(CC[6a]O)(H)	C[5](C[5,5]N[5,5]C[3]C[5])(C[5]O[5]O)(CC[6a]HH)(NCH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(C[5]C[5,5]C[5]N)(C[6a]C[6a]2)(H)2	N(C[5]C[5,5]C[5]C)(CC[6a]O)(H)	108.8280	0.000	1	108.8280	0.000	1	108.8280	0.000	1	106.7022	1.278	12	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	4:3:4:3:	4:3:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:N-3:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C-3:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CC[6a]HH)(NCH)	C(C[5]C[5,6]C[5]N)(C[6a]C[6a]2)(H)2	N(C[5]C[5,6]C[5]C)(CC[6a]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CC[6a]HH)(NCH){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6]C[5]N)(C[6a]C[6a]2)(H)2	N(C[5]C[5,6]C[5]C)(CC[6a]O)(H)	106.6575	0.059	2	106.6575	0.003	2	106.6575	0.003	2	106.7022	1.278	12	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	4:3:4:3:	4:3:1:1:	4:3:1:	C[5]-4:N[5]-3:C-4:N-3:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HH)(NCH)	C(C[5]C[5]N[5]N)(C[6a]C[6a]2)(H)2	N(C[5]C[5]N[5]C)(CCO)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HH)(NCH){1|O<1>,2|H<1>}	C(C[5]C[5]N[5]N)(C[6a]C[6a]2)(H)2	N(C[5]C[5]N[5]C)(CCO)(H)	107.2610	0.000	1	107.2610	0.000	1	106.4759	1.133	9	106.7022	1.278	12	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	4:3:4:3:	4:3:1:1:	4:3:1:	C[5]-4:N[5]-3:C-4:N-3:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HH)(NCH)	C(C[5]C[5]N[5]N)(C[6a]C[6a]2)(H)2	N(C[5]C[5]N[5]C)(COO)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HH)(NCH){1|O<1>,2|H<1>}	C(C[5]C[5]N[5]N)(C[6a]C[6a]2)(H)2	N(C[5]C[5]N[5]C)(COO)(H)	106.3777	1.094	8	106.3777	1.196	8	106.4759	1.133	9	106.7022	1.278	12	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	4:3:4:3:	4:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:N-3:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[5]HO)(C[5]S[5]O)(CCHH)(NCH)	C(C[5]C[5]2N)(CCCH)(H)2	N(C[5]C[5]2C)(CC[6a]O)(H)	C[5](C[5]C[5]HO)(C[5]S[5]O)(CCHH)(NCH){2|H<1>}	C(C[5]C[5]2N)(CCCH)(H)2	N(C[5]C[5]2C)(CC[6a]O)(H)	110.4165	1.964	2	110.4165	3.856	2	110.4165	3.856	2	110.4165	3.856	2	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	4:3:4:3:	4:4:4:1:	4:3:1:	C[5]-4:N[5]-3:C-4:N-3:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(NCH)	C(C[5]C[5]N[5]N)(CCHH)(CH3)(H)	N(C[5]C[5]N[5]C)(COO)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(NCH){1|O<1>,2|H<1>}	C(C[5]C[5]N[5]N)(CCHH)(CH3)(H)	N(C[5]C[5]N[5]C)(COO)(H)	105.8950	0.000	1	105.8950	0.000	1	105.8950	0.000	1	105.8950	0.000	1	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	4:4:4:3:	4:1:1:1:	4:1:1:	C[5,5]-4:C[5]-4:C-4:N-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O-1:O-1:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CH3)(NOO)	C(C[5]C[5,5]C[5]N)(H)3	N(C[5]C[5,5]C[5]C)(O)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CH3)(NOO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C(C[5]C[5,5]C[5]N)(H)3	N(C[5]C[5,5]C[5]C)(O)2	106.9165	0.961	2	106.9165	0.923	2	106.7203	0.577	3	107.8479	3.710	8	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	4:4:4:3:	4:1:1:1:	4:1:1:	C[5,5]-4:C[5]-4:C-4:N-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O-1:O-1:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CH3)(NOO)	C(C[5]C[5,5]C[5]N)(H)3	N(C[5]C[5,5]C[5]C)(O)2	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CH3)(NOO){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C(C[5]C[5,5]C[5]N)(H)3	N(C[5]C[5,5]C[5]C)(O)2	106.3280	0.000	1	106.3280	0.000	1	106.7203	0.577	3	107.8479	3.710	8	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	4:4:4:3:	4:1:1:1:	4:1:1:	C[5,6]-4:C[5]-4:C-4:N-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O-1:O-1:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]N[5]H)(CH3)(NOO)	C(C[5]C[5,6]C[5]N)(H)3	N(C[5]C[5,6]C[5]C)(O)2	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]N[5]H)(CH3)(NOO){1|S<4>,5|C<3>}	C(C[5]C[5,6]C[5]N)(H)3	N(C[5]C[5,6]C[5]C)(O)2	109.6940	0.313	2	109.6940	0.098	2	109.6940	0.098	2	107.8479	3.710	8	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	4:4:4:3:	4:1:1:1:	4:1:1:	C[5]-4:C[5]-4:C-4:N-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O-1:O-1:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(NOO)	C(C[5]C[5]2N)(H)3	N(C[5]C[5]2C)(O)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(NOO){1|O<1>,2|H<1>}	C(C[5]C[5]2N)(H)3	N(C[5]C[5]2C)(O)2	109.0440	0.000	1	109.0440	0.000	1	107.7447	7.026	3	107.8479	3.710	8	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	4:4:4:3:	4:1:1:1:	4:1:1:	C[5]-4:C[5]-4:C-4:N-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O-1:O-1:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CH3)(NOO)	C(C[5]C[5]2N)(H)3	N(C[5]C[5]2C)(O)2	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CH3)(NOO){1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5]2N)(H)3	N(C[5]C[5]2C)(O)2	104.6950	0.000	1	104.6950	0.000	1	107.7447	7.026	3	107.8479	3.710	8	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	4:4:4:3:	4:1:1:1:	4:1:1:	C[5]-4:C[5]-4:C-4:N-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O-1:O-1:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CH3)(NOO)	C(C[5]C[5]2N)(H)3	N(C[5]C[5]2C)(O)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CH3)(NOO){2|H<1>,3|C<3>}	C(C[5]C[5]2N)(H)3	N(C[5]C[5]2C)(O)2	109.4950	0.000	1	109.4950	0.000	1	107.7447	7.026	3	107.8479	3.710	8	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	4:4:4:3:	4:1:1:1:	4:3:1:	C[5]-4:C[5]-4:C-4:N-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(NCH)	C(C[5]C[5]2N)(H)3	N(C[5]C[5]2C)(CC[6a]O)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)(NCH){4|H<1>}	C(C[5]C[5]2N)(H)3	N(C[5]C[5]2C)(CC[6a]O)(H)	108.6710	0.000	1	108.6710	0.000	1	107.9797	5.185	9	107.9797	5.185	9	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	4:4:4:3:	4:1:1:1:	4:3:1:	C[5]-4:C[5]-4:C-4:N-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CH3)(NCH)	C(C[5]C[5]2N)(H)3	N(C[5]C[5]2C)(CCO)(H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CH3)(NCH){1|C<4>,1|O<2>}	C(C[5]C[5]2N)(H)3	N(C[5]C[5]2C)(CCO)(H)	110.7577	0.542	3	110.7577	0.294	3	107.9797	5.185	9	107.9797	5.185	9	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	4:4:4:3:	4:1:1:1:	4:3:1:	C[5]-4:C[5]-4:C-4:N-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C-3:H-1:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(NCH)	C(C[5]C[5]2N)(H)3	N(C[5]C[5]2C)(CC[6a]O)(H)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)(NCH){2|C<3>,2|H<1>}	C(C[5]C[5]2N)(H)3	N(C[5]C[5]2C)(CC[6a]O)(H)	106.1746	0.493	5	106.1746	0.243	5	107.9797	5.185	9	107.9797	5.185	9	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	4:4:4:3:	4:1:1:1:	4:4:4:	C[5]-4:C[5]-4:C-4:N-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(NCC)	C(C[5]C[5]2N)(H)3	N(C[5]C[5]2C)(CBCH)(CCCH)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(NCC){1|N<3>,3|H<1>}	C(C[5]C[5]2N)(H)3	N(C[5]C[5]2C)(CBCH)(CCCH)	109.8740	0.000	1	109.8740	0.000	1	109.8740	0.000	1	109.8740	0.000	1	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	4:4:4:3:	4:2:1:1:	4:1:1:	C[5,5]-4:C[5]-4:C-4:N-3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O-1:O-1:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CHHO)(NOO)	C(C[5]C[5,5]C[5]N)(OH)(H)2	N(C[5]C[5,5]C[5]C)(O)2	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(CHHO)(NOO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C(C[5]C[5,5]C[5]N)(OH)(H)2	N(C[5]C[5,5]C[5]C)(O)2	106.6695	0.172	2	106.6695	0.030	2	105.8650	1.956	3	106.0447	1.434	4	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	4:4:4:3:	4:2:1:1:	4:1:1:	C[5,5]-4:C[5]-4:C-4:N-3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O-1:O-1:	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CHHO)(NOO)	C(C[5]C[5,5]C[5]N)(OH)(H)2	N(C[5]C[5,5]C[5]C)(O)2	C[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]C[5,5]C[6a]H)(CHHO)(NOO){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C(C[5]C[5,5]C[5]N)(OH)(H)2	N(C[5]C[5,5]C[5]C)(O)2	104.2560	0.000	1	104.2560	0.000	1	105.8650	1.956	3	106.0447	1.434	4	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	4:4:4:3:	4:2:1:1:	4:1:1:	C[5]-4:C[5]-4:C-4:N-3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O-1:O-1:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(CHHO)(NOO)	C(C[5]C[5]2N)(OH)(H)2	N(C[5]C[5]2C)(O)2	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(CHHO)(NOO){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5]2N)(OH)(H)2	N(C[5]C[5]2C)(O)2	106.5840	0.000	1	106.5840	0.000	1	106.5840	0.000	1	106.0447	1.434	4	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP2_SP3	C[5]	C	N	4:4:4:3:	4:4:1:1:	4:3:1:	C[5,5]-4:C[5]-4:C-4:N-3:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-3:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(CCHH)(NCH)	C(C[5]C[5,5]C[5]N)(CCHO)(H)2	N(C[5]C[5,5]C[5]C)(CCO)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)(CCHH)(NCH){1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[5,5]C[5]N)(CCHO)(H)2	N(C[5]C[5,5]C[5]C)(CCO)(H)	112.2570	0.000	1	112.2570	0.000	1	112.2570	0.000	1	112.2570	0.000	1	108.2452	4.547	116	108.2452	4.547	116
474	490	956	0:SP3_SP3_SP3	C[5]	C	N	2:2:4:3:	4:1:1:1:	4:1:1:	O[5]-2:O[5]-2:C-4:N-3:	C[5]-4:Cl-1:Cl-1:Cl-1:	C[5]-4:H-1:H-1:	C[5](O[5]C[5])2(CCl3)(NHH)	C(C[5]O[5]2N)(Cl)3	N(C[5]O[5]2C)(H)2	C[5](O[5]C[5])2(CCl3)(NHH){1|C<4>,3|H<1>}	C(C[5]O[5]2N)(Cl)3	N(C[5]O[5]2C)(H)2	113.7820	0.000	1	113.7820	0.000	1	113.7820	0.000	1	113.7820	0.000	1	109.1429	5.401	33	109.1429	5.401	33
474	490	956	0:SP3_SP3_SP3	C[5]	C	N	3:2:4:3:	4:4:4:4:	4:1:1:	C[5]-3:O[5]-2:C-4:N-3:	C[5]-4:C-4:C-4:C-4:	C[5]-4:H-1:H-1:	C[5](C[5]C[5]C)(O[5]C[5])(CC3)(NHH)	C(C[5]C[5]O[5]N)(CH3)3	N(C[5]C[5]O[5]C)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(CC3)(NHH){1|C<3>,2|C<4>}	C(C[5]C[5]O[5]N)(CH3)3	N(C[5]C[5]O[5]C)(H)2	110.2220	0.000	1	110.2220	0.000	1	110.2220	0.000	1	110.2220	0.000	1	109.1429	5.401	33	109.1429	5.401	33
474	490	956	0:SP3_SP3_SP3	C[5]	C	N	3:3:3:4:	4:1:1:1:	4:3:2:	C[5,6a]-3:C[5]-3:N-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:O-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]O)(CH3)	C(C[5]C[5,6a]C[5]N)(H)3	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]O)(CH3){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]N)(H)3	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(OH)	109.7320	0.178	2	109.7320	0.032	2	109.7320	0.032	2	109.7320	0.032	2	109.1429	5.401	33	109.1429	5.401	33
474	490	956	0:SP3_SP3_SP3	C[5]	C	N	3:3:3:4:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:N-3:C-4:	C[5]-4:Si-4:H-1:H-1:	C[5]-4:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]H)(CSiHH)	C(C[5]C[5,6a]C[5]N)(SiC3)(H)2	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]H)(CSiHH){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]N)(SiC3)(H)2	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	108.7990	3.276	4	108.7990	10.735	4	108.7990	10.735	4	108.7990	10.735	4	109.1429	5.401	33	109.1429	5.401	33
474	490	956	0:SP3_SP3_SP3	C[5]	C	N	3:3:3:4:	4:4:4:4:	4:3:1:	C[5,6a]-3:C[5]-3:N-3:C-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[6a]-3:H-1:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]H)(CC3)	C(C[5]C[5,6a]C[5]N)(CH3)3	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]H)(CC3){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]N)(CH3)3	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)	108.4055	0.340	2	108.4055	0.116	2	108.4055	0.116	2	108.4055	0.116	2	109.1429	5.401	33	109.1429	5.401	33
474	490	956	0:SP3_SP3_SP3	C[5]	C	N	3:3:4:3:	4:1:1:1:	4:3:2:	C[5]-3:C[5]-3:C-4:N-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C-3:O-2:	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)(NCO)	C(C[5]C[5]2N)(H)3	N(C[5]C[5]2C)(CNO)(OH)	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)(NCO){1|C<3>}	C(C[5]C[5]2N)(H)3	N(C[5]C[5]2C)(CNO)(OH)	109.5760	0.000	1	109.5760	0.000	1	109.5760	0.000	1	109.5760	0.000	1	109.1429	5.401	33	109.1429	5.401	33
474	490	956	0:SP3_SP3_SP3	C[5]	C	N	3:3:4:3:	4:1:1:1:	4:4:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:P-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CH3)(NHP)	C(C[5]C[5,6a]C[5]N)(H)3	N(C[5]C[5,6a]C[5]C)(PC[6a]2O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CH3)(NHP){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(H)3	N(C[5]C[5,6a]C[5]C)(PC[6a]2O)(H)	107.5500	1.256	4	107.5500	1.578	4	107.5500	1.578	4	107.5500	1.578	4	109.1429	5.401	33	109.1429	5.401	33
474	490	956	0:SP3_SP3_SP3	C[5]	C	N	3:3:4:3:	4:3:1:1:	4:1:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(NHH)	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(H)2	N(C[5]C[5,6a]C[5]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(NHH){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(H)2	N(C[5]C[5,6a]C[5]C)(H)2	108.1075	0.596	2	108.1075	0.355	2	108.1075	0.355	2	108.1075	0.355	2	109.1429	5.401	33	109.1429	5.401	33
474	490	956	0:SP3_SP3_SP3	C[5]	C	N	3:3:4:3:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NCH)	C(C[5]C[5,6a]C[5]N)(CC[6a]C)(H)2	N(C[5]C[5,6a]C[5]C)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(CC[6a]C)(H)2	N(C[5]C[5,6a]C[5]C)(COO)(H)	106.8380	0.000	1	106.8380	0.000	1	106.8380	0.000	1	106.8380	0.000	1	109.1429	5.401	33	109.1429	5.401	33
474	490	956	0:SP3_SP3_SP3	C[5]	C	N	3:3:4:3:	4:3:1:1:	4:4:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NCH)	C(C[5]C[5,6a]C[5]N)(CCH)(H)2	N(C[5]C[5,6a]C[5]C)(CC[6a]CH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(CCH)(H)2	N(C[5]C[5,6a]C[5]C)(CC[6a]CH)(H)	108.0490	0.000	1	108.0490	0.000	1	108.0490	0.000	1	109.4620	3.993	2	109.1429	5.401	33	109.1429	5.401	33
474	490	956	0:SP3_SP3_SP3	C[5]	C	N	3:3:4:3:	4:3:1:1:	4:4:1:	C[5]-3:N[5]-3:C-4:N-3:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C-4:H-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HH)(NCH)	C(C[5]C[5]N[5]N)(C[6a]C[6a]2)(H)2	N(C[5]C[5]N[5]C)(CCHH)(H)	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HH)(NCH){1|C<4>,1|S<1>}	C(C[5]C[5]N[5]N)(C[6a]C[6a]2)(H)2	N(C[5]C[5]N[5]C)(CCHH)(H)	110.8750	0.000	1	110.8750	0.000	1	110.8750	0.000	1	109.4620	3.993	2	109.1429	5.401	33	109.1429	5.401	33
474	490	956	0:SP3_SP3_SP3	C[5]	C	N	3:3:4:3:	4:3:3:2:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C[6a]-3:C-3:O-2:	C[5]-4:C-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CO)(NCH)	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(COO)(OC)	N(C[5]C[5,6a]C[5]C)(COO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CO)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(COO)(OC)	N(C[5]C[5,6a]C[5]C)(COO)(H)	108.6660	0.000	1	108.6660	0.000	1	108.6660	0.000	1	108.6660	0.000	1	109.1429	5.401	33	109.1429	5.401	33
474	490	956	0:SP3_SP3_SP3	C[5]	C	N	3:3:4:3:	4:4:1:1:	4:4:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C-4:H-1:H-1:	C[5]-4:S-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NHS)	C(C[5]C[5,6a]C[5]N)(CCCH)(H)2	N(C[5]C[5,6a]C[5]C)(SC[6a]OO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NHS){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(CCCH)(H)2	N(C[5]C[5,6a]C[5]C)(SC[6a]OO)(H)	106.5310	0.000	1	106.5310	0.000	1	106.5310	0.000	1	106.5310	0.000	1	109.1429	5.401	33	109.1429	5.401	33
474	490	956	0:SP3_SP3_SP3	C[5]	C	N	4:3:4:3:	4:1:1:1:	4:1:1:	C[5,6]-4:C[5]-3:C-4:N-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:H-1:H-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(NHH)	C(C[5]C[5,6]C[5]N)(H)3	N(C[5]C[5,6]C[5]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(NHH){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6]C[5]N)(H)3	N(C[5]C[5,6]C[5]C)(H)2	108.4285	0.500	2	108.4285	0.250	2	108.4285	0.250	2	108.4285	0.250	2	109.1429	5.401	33	109.1429	5.401	33
474	490	956	0:SP3_SP3_SP3	C[5]	C	N	4:3:4:3:	4:1:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:N-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C-4:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(NCH)	C(C[5]C[5]2N)(H)3	N(C[5]C[5]2C)(CCHH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(NCH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5]2N)(H)3	N(C[5]C[5]2C)(CCHH)(H)	114.0420	0.000	1	114.0420	0.000	1	114.0420	0.000	1	114.0420	0.000	1	109.1429	5.401	33	109.1429	5.401	33
474	490	956	0:SP3_SP3_SP3	C[5]	C	N	4:3:4:3:	4:4:1:1:	4:4:4:	Ge[4,5]-4:C[5]-3:C-4:N-3:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:	C[5](Ge[4,5]C[4,5]C[4]W)(C[5]C[5]N)(CC[5]HH)(NCC)	C(C[5]Ge[4,5]C[5]N)(C[5]C[5]2W)(H)2	N(C[5]Ge[4,5]C[5]C)(CH3)2	C[5](Ge[4,5]C[4,5]C[4]W)(C[5]C[5]N)(CC[5]HH)(NCC){1|C<3>,3|N<3>}	C(C[5]Ge[4,5]C[5]N)(C[5]C[5]2W)(H)2	N(C[5]Ge[4,5]C[5]C)(CH3)2	106.3740	0.000	1	106.3740	0.000	1	106.3740	0.000	1	106.3740	0.000	1	109.1429	5.401	33	109.1429	5.401	33
474	490	956	0:SP3_SP3_SP3	C[5]	C	N	4:4:4:3:	4:1:1:1:	4:2:1:	C[5,5]-4:C[5]-4:C-4:N-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O-2:H-1:	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[5]HH)(CH3)(NHO)	C(C[5]C[5,5]C[5]N)(H)3	N(C[5]C[5,5]C[5]C)(OC)(H)	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[5]HH)(CH3)(NHO){2|H<1>,3|C<3>}	C(C[5]C[5,5]C[5]N)(H)3	N(C[5]C[5,5]C[5]C)(OC)(H)	109.6855	0.142	2	109.6855	0.020	2	109.6855	0.020	2	109.6855	0.020	2	109.1429	5.401	33	109.1429	5.401	33
474	490	956	0:SP3_SP3_SP3	C[5]	C	N	4:4:4:3:	4:1:1:1:	4:4:1:	C[5]-4:C[5]-4:C-4:N-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:S-4:H-1:	C[5](C[5]C[5]HH)(C[5]S[5]HH)(CH3)(NHS)	C(C[5]C[5]2N)(H)3	N(C[5]C[5]2C)(SC[6a]OO)(H)	C[5](C[5]C[5]HH)(C[5]S[5]HH)(CH3)(NHS){2|H<1>}	C(C[5]C[5]2N)(H)3	N(C[5]C[5]2C)(SC[6a]OO)(H)	112.1360	0.000	1	112.1360	0.000	1	112.1360	0.000	1	112.1360	0.000	1	109.1429	5.401	33	109.1429	5.401	33
474	490	956	0:SP3_SP3_SP3	C[5]	C	N	4:4:4:3:	4:1:1:1:	4:4:2:	C[5,5]-4:C[5]-4:C-4:N-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C-4:O-2:	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[5]HH)(CH3)(NCO)	C(C[5]C[5,5]C[5]N)(H)3	N(C[5]C[5,5]C[5]C)(CC[6a]HH)(OH)	C[5](C[5,5]C[5,6a]N[5,5]O)(C[5]C[5]HH)(CH3)(NCO){2|H<1>,3|C<3>}	C(C[5]C[5,5]C[5]N)(H)3	N(C[5]C[5,5]C[5]C)(CC[6a]HH)(OH)	114.4100	0.000	1	114.4100	0.000	1	114.4100	0.000	1	114.4100	0.000	1	109.1429	5.401	33	109.1429	5.401	33
474	490	956	0:SP3_SP3_SP3	C[5]	C	N	4:4:4:3:	4:1:1:1:	4:4:4:	C[5]-4:C[5]-4:C-4:N-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C-4:C-4:	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(NCC)	C(C[5]C[5]2N)(H)3	N(C[5]C[5]2C)(CBCH)(CCCH)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)(NCC){1|N<3>,3|H<1>}	C(C[5]C[5]2N)(H)3	N(C[5]C[5]2C)(CBCH)(CCCH)	109.7850	0.000	1	109.7850	0.000	1	109.7850	0.000	1	109.7850	0.000	1	109.1429	5.401	33	109.1429	5.401	33
474	490	956	0:SP3_SP3_SP3	C[5]	C	N	4:4:4:3:	4:2:1:1:	4:4:1:	C[5]-4:C[5]-4:C-4:N-3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C-4:H-1:	C[5](C[5]C[5]HH)2(CHHO)(NCH)	C(C[5]C[5]2N)(OH)(H)2	N(C[5]C[5]2C)(CC[6a]HH)(H)	C[5](C[5]C[5]HH)2(CHHO)(NCH){4|H<1>}	C(C[5]C[5]2N)(OH)(H)2	N(C[5]C[5]2C)(CC[6a]HH)(H)	108.1585	2.969	2	108.1585	8.816	2	108.1585	8.816	2	108.1585	8.816	2	109.1429	5.401	33	109.1429	5.401	33
474	490	959	0:SP3_SP3_SP3	C[5,6]	C	S[5]	3:4:4:4:	4:1:1:1:	4:3:1:1:	C[5a,6]-3:C[5,6]-4:S[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:O-1:O-1:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(S[5]C[5]OO)(CH3)	C(C[5,6]C[5a,6]C[5,6]S[5])(H)3	S[5](C[5,6]C[5a,6]C[5,6]C)(C[5]C[5]C)(O)2	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(S[5]C[5]OO)(CH3){1|H<1>,1|S<2>,2|C<3>,3|C<4>}	C(C[5,6]C[5a,6]C[5,6]S[5])(H)3	S[5](C[5,6]C[5a,6]C[5,6]C)(C[5]C[5]C)(O)2{2|H<1>,3|C<3>}	107.3950	0.000	1	107.3950	0.000	1	107.3950	0.000	1	107.3950	0.000	1	107.7020	0.077	3	111.2184	9.894	24
474	490	959	0:SP3_SP3_SP3	C[5,6]	C	S[5]	4:3:4:4:	4:4:1:1:	3:4:1:1:	C[5,6]-4:C[5,6]-3:S[5]-4:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:O-1:O-1:	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(CCHH)	C(C[5,6]C[5,6]2S[5])(CH3)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C)(O)2	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(CCHH){1|C<2>,2|O<1>,5|C<3>}	C(C[5,6]C[5,6]2S[5])(CH3)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C)(O)2{1|C<4>,1|H<1>,1|S<4>,4|C<3>}	107.8555	0.114	2	107.8555	0.013	2	107.8555	0.013	2	107.8555	0.013	2	107.7020	0.077	3	111.2184	9.894	24
474	490	959	0:SP3_SP3_SP3	C[5]	C	S[5]	3:4:4:1:	4:4:4:4:	4:4:1:1:	N[5,5]-3:S[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-4:O-1:O-1:	C[5](N[5,5]C[5,5]C[5])(S[5]C[5]OO)(CC3)(H)	C(C[5]N[5,5]S[5]H)(CH3)3	S[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(O)2	C[5](N[5,5]C[5,5]C[5])(S[5]C[5]OO)(CC3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[5]N[5,5]S[5]H)(CH3)3	S[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(O)2{1|C<4>,2|C<3>}	117.9130	0.000	1	118.0855	0.060	2	118.0855	0.060	2	118.0855	0.060	2	111.7208	9.251	21	111.2184	9.894	24
474	490	959	0:SP3_SP3_SP3	C[5]	C	S[5]	3:4:4:1:	4:4:4:4:	4:4:1:1:	N[5,5]-3:S[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-4:O-1:O-1:	C[5](N[5,5]C[5,5]C[5])(S[5]C[5]OO)(CC3)(H)	C(C[5]N[5,5]S[5]H)(CH3)3	S[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(O)2	C[5](N[5,5]C[5,5]C[5])(S[5]C[5]OO)(CC3)(H){1|O<1>,2|H<1>,3|C<3>}	C(C[5]N[5,5]S[5]H)(CH3)3	S[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)(O)2{3|C<3>}	118.2580	0.000	1	118.0855	0.060	2	118.0855	0.060	2	118.0855	0.060	2	111.7208	9.251	21	111.2184	9.894	24
474	490	959	0:SP3_SP3_SP3	C[5]	C	S[5]	4:4:4:1:	3:4:2:1:	3:4:1:1:	S[5]-4:S[5]-4:C-4:F-1:	C[6a]-3:C[5]-4:O-2:H-1:	C[5,6a]-3:C[5]-4:O-1:O-1:	C[5](S[5]C[5,6a]OO)2(CC[6a]HO)(F)	C(C[6a]C[6a]2)(C[5]S[5]2F)(OC)(H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CF)(O)2	C[5](S[5]C[5,6a]OO)2(CC[6a]HO)(F){2|C<3>}	C(C[6a]C[6a]2)(C[5]S[5]2F)(OC)(H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]CF)(O)2{1|H<1>,2|C<3>,2|O<1>}	113.4235	0.855	2	113.4235	0.731	2	113.4235	0.731	2	113.4235	0.731	2	111.7208	9.251	21	111.2184	9.894	24
474	490	959	0:SP3_SP3_SP3	C[5]	C	S[5]	4:4:4:1:	4:1:1:1:	4:3:1:1:	C[3x5,6]-4:S[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:O-1:	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(S[5]N[5]OO)(CH3)(H)	C(C[5]C[3x5,6]S[5]H)(H)3	S[5](C[5]C[3x5,6]CH)(N[5]C[5,5,6]C)(O)2	C[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(S[5]N[5]OO)(CH3)(H){1|C<3>,3|H<1>,5|C<4>}	C(C[5]C[3x5,6]S[5]H)(H)3	S[5](C[5]C[3x5,6]CH)(N[5]C[5,5,6]C)(O)2{1|H<1>,3|C<4>}	109.7190	0.000	1	109.7190	0.000	1	109.7190	0.000	1	109.7190	0.000	1	111.7208	9.251	21	111.2184	9.894	24
474	490	959	0:SP3_SP3_SP3	C[5]	C	S[5]	4:4:4:1:	4:2:1:1:	4:4:1:1:	S[5]-4:S[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:O-1:O-1:	C[5](S[5]C[5]OO)2(CHHO)(H)	C(C[5]S[5]2H)(OC)(H)2	S[5](C[5]C[5]HH)(C[5]S[5]CH)(O)2	C[5](S[5]C[5]OO)2(CHHO)(H){4|H<1>}	C(C[5]S[5]2H)(OC)(H)2	S[5](C[5]C[5]HH)(C[5]S[5]CH)(O)2{2|H<1>,2|O<1>}	113.1125	1.313	4	113.1125	1.724	4	113.1125	1.724	4	113.1125	1.724	4	111.7208	9.251	21	111.2184	9.894	24
474	490	959	0:SP3_SP3_SP3	C[5]	C	S[5]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,5,6]-4:S[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:O-1:O-1:	C[5](C[5,5,6]C[5,5,6]2H)(S[5]C[5]OO)(CCHH)(H)	C(C[5]C[5,5,6]S[5]H)(CCH)(H)2	S[5](C[5]C[5,5,6]CH)2(O)2	C[5](C[5,5,6]C[5,5,6]2H)(S[5]C[5]OO)(CCHH)(H){1|C<3>,3|C<4>,3|H<1>}	C(C[5]C[5,5,6]S[5]H)(CCH)(H)2	S[5](C[5]C[5,5,6]CH)2(O)2{2|C<4>,2|H<1>}	111.3420	0.561	2	111.3420	0.315	2	111.3420	0.315	2	111.0313	0.447	3	111.7208	9.251	21	111.2184	9.894	24
474	490	959	0:SP3_SP3_SP3	C[5]	C	S[5]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5]-4:S[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-4:O-1:O-1:	C[5](C[5]C[5,5]HH)(S[5]C[5,5]OO)(CC[6a]HH)(H)	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(H)2	S[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(O)2	C[5](C[5]C[5,5]HH)(S[5]C[5,5]OO)(CC[6a]HH)(H){2|C<4>,2|H<1>}	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(H)2	S[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(O)2{3|C<4>,4|H<1>}	110.4100	0.000	1	110.4100	0.000	1	110.4100	0.000	1	111.0313	0.447	3	111.7208	9.251	21	111.2184	9.894	24
474	490	959	0:SP3_SP3_SP3	C[5]	C	S[5]	4:4:4:1:	4:3:3:1:	4:4:1:1:	C[5]-4:S[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:F-1:	C[5]-4:C[5]-4:O-1:O-1:	C[5](C[5]C[5]HH)(S[5]C[5]OO)(CC[6a]2F)(H)	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)2(F)	S[5](C[5]C[5]CH)(C[5]C[5]HH)(O)2	C[5](C[5]C[5]HH)(S[5]C[5]OO)(CC[6a]2F)(H){4|H<1>}	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)2(F)	S[5](C[5]C[5]CH)(C[5]C[5]HH)(O)2{4|H<1>}	114.5680	0.000	1	114.5680	0.000	1	114.5680	0.000	1	114.5680	0.000	1	111.7208	9.251	21	111.2184	9.894	24
474	490	959	0:SP3_SP3_SP3	C[5]	C	S[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5]-4:S[5]-4:C-4:H-1:	C[3]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:O-1:	C[5](C[5]C[5]HH)(S[5]N[5]OO)(CC[3]HH)(H)	C(C[3]C[3]O[3]H)(C[5]C[5]S[5]H)(H)2	S[5](C[5]C[5]CH)(N[5]C[5]C)(O)2	C[5](C[5]C[5]HH)(S[5]N[5]OO)(CC[3]HH)(H){1|C<4>,2|H<1>}	C(C[3]C[3]O[3]H)(C[5]C[5]S[5]H)(H)2	S[5](C[5]C[5]CH)(N[5]C[5]C)(O)2{4|H<1>}	111.5540	0.000	1	111.5540	0.000	1	111.5540	0.000	1	111.3425	0.089	2	111.7208	9.251	21	111.2184	9.894	24
474	490	959	0:SP3_SP3_SP3	C[5]	C	S[5]	4:4:4:1:	4:4:1:1:	4:3:1:1:	C[5]-4:S[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:O-1:	C[5](C[5]N[5]HH)(S[5]N[5]OO)(CCHH)(H)	C(C[5]C[5]S[5]H)(CHHS)(H)2	S[5](C[5]C[5]CH)(N[5]N[5]C)(O)2	C[5](C[5]N[5]HH)(S[5]N[5]OO)(CCHH)(H){1|C<3>,1|H<1>}	C(C[5]C[5]S[5]H)(CHHS)(H)2	S[5](C[5]C[5]CH)(N[5]N[5]C)(O)2{3|H<1>}	111.1310	0.000	1	111.1310	0.000	1	111.1310	0.000	1	111.3425	0.089	2	111.7208	9.251	21	111.2184	9.894	24
474	490	959	0:SP3_SP3_SP3	C[5]	C	S[5]	4:4:4:4:	3:4:1:1:	4:4:1:1:	C[5]-4:S[5]-4:C-4:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	C[4,5]-4:C[5]-4:O-1:O-1:	C[5](C[5]N[4,5]CH)(S[5]C[4,5]OO)(CN[5a]HH)(CH3)	C(N[5a]C[5a]N[5a])(C[5]C[5]S[5]C)(H)2	S[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]CC)(O)2	C[5](C[5]N[4,5]CH)(S[5]C[4,5]OO)(CN[5a]HH)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(C[5]C[5]S[5]C)(H)2	S[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]CC)(O)2{2|C<3>,3|H<1>}	110.3100	0.000	1	110.3100	0.000	1	110.3100	0.000	1	110.3100	0.000	1	111.7208	9.251	21	111.2184	9.894	24
474	490	959	0:SP3_SP3_SP3	C[5]	C	S[5]	4:4:4:4:	4:1:1:1:	4:4:1:1:	C[5]-4:S[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[4,5]-4:C[5]-4:O-1:O-1:	C[5](C[5]N[4,5]CH)(S[5]C[4,5]OO)(CH3)2	C(C[5]C[5]S[5]C)(H)3	S[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]CC)(O)2	C[5](C[5]N[4,5]CH)(S[5]C[4,5]OO)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]S[5]C)(H)3	S[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]CC)(O)2{1|Br<1>,2|C<3>,2|H<1>}	107.7755	0.221	2	108.0108	0.194	4	108.0584	0.157	5	108.0584	0.157	5	111.7208	9.251	21	111.2184	9.894	24
474	490	959	0:SP3_SP3_SP3	C[5]	C	S[5]	4:4:4:4:	4:1:1:1:	4:4:1:1:	C[5]-4:S[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[4,5]-4:C[5]-4:O-1:O-1:	C[5](C[5]N[4,5]CH)(S[5]C[4,5]OO)(CH3)2	C(C[5]C[5]S[5]C)(H)3	S[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]CC)(O)2	C[5](C[5]N[4,5]CH)(S[5]C[4,5]OO)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]S[5]C)(H)3	S[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]CC)(O)2{1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	108.2460	0.559	2	108.0108	0.194	4	108.0584	0.157	5	108.0584	0.157	5	111.7208	9.251	21	111.2184	9.894	24
474	490	959	0:SP3_SP3_SP3	C[5]	C	S[5]	4:4:4:4:	4:1:1:1:	4:4:1:1:	C[5]-4:S[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[4,5]-4:C[5]-4:O-1:O-1:	C[5](C[5]N[4,5]CH)(S[5]C[4,5]OO)(CN[5a]HH)(CH3)	C(C[5]C[5]S[5]C)(H)3	S[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]CC)(O)2	C[5](C[5]N[4,5]CH)(S[5]C[4,5]OO)(CN[5a]HH)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]S[5]C)(H)3	S[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]CC)(O)2{2|C<3>,3|H<1>}	108.2490	0.000	1	108.2490	0.000	1	108.0584	0.157	5	108.0584	0.157	5	111.7208	9.251	21	111.2184	9.894	24
474	490	960	0:SP3_SP2_SP3	C[5,5,6]	C	N[5,5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,6]-4:C[5,6]-4:N[5,5]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[3,5,6]ReH)(C[5,6]C[5,6]CH)(N[5,5]C[5,5,6])(CH3)	C(C[5,5,6]C[5,6]2N[5,5])(H)3	N[5,5](C[5,5,6]C[3,5,6]C[5,6]C)(C[5,5,6]C[5,6]2C)	C[5,5,6](C[5,6]C[3,5,6]ReH)(C[5,6]C[5,6]CH)(N[5,5]C[5,5,6])(CH3){2|C<3>,2|H<2>}	C(C[5,5,6]C[5,6]2N[5,5])(H)3	N[5,5](C[5,5,6]C[3,5,6]C[5,6]C)(C[5,5,6]C[5,6]2C){1|Re<7>,2|C<3>,2|H<1>,2|H<2>}	114.8140	0.000	1	114.8140	0.000	1	114.8140	0.000	1	114.8140	0.000	1	114.8140	0.000	1	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5,5]	C	N[5]	3:3:2:4:	4:4:4:1:	4:3:	N[5,5]-3:C[5]-3:N[5]-2:C-4:	C[5,5]-4:C-4:C-4:H-1:	C[5,5]-4:C[5]-3:	C[5,5](N[5,5]C[5]N[5])(C[5]N[5]O)(N[5]C[5])(CCCH)	C(C[5,5]N[5,5]C[5]N[5])(CH3)2(H)	N[5](C[5,5]N[5,5]C[5]C)(C[5]C[6a]N[5])	C[5,5](N[5,5]C[5]N[5])(C[5]N[5]O)(N[5]C[5])(CCCH){1|C<4>,1|O<1>,2|C<3>}	C(C[5,5]N[5,5]C[5]N[5])(CH3)2(H)	N[5](C[5,5]N[5,5]C[5]C)(C[5]C[6a]N[5]){1|N<3>,1|O<1>,4|C<3>}	112.3290	0.000	1	112.3290	0.000	1	112.3290	0.000	1	112.3290	0.000	1	109.3183	2.923	7	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5,5]	C	N[5]	4:3:2:4:	4:1:1:1:	4:3:	C[5,5]-4:C[5]-3:N[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(N[5]C[5])(CH3)	C(C[5,5]C[5,5]C[5]N[5])(H)3	N[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]C)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(N[5]C[5])(CH3){1|H<1>,2|C<4>}	C(C[5,5]C[5,5]C[5]N[5])(H)3	N[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]C){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	109.6640	0.000	1	109.6640	0.000	1	109.6640	0.000	1	109.6640	0.000	1	109.3183	2.923	7	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5,5]	C	N[5]	4:3:2:4:	4:4:1:1:	4:2:	C[5,5]-4:C[5]-3:N[5]-2:C-4:	C[5,5]-4:C-4:H-1:H-1:	C[5,5]-4:N[5]-2:	C[5,5](C[5,5]C[5]2H)(C[5]O[5]O)(N[5]N[5])(CCHH)	C(C[5,5]C[5,5]C[5]N[5])(CCHH)(H)2	N[5](C[5,5]C[5,5]C[5]C)(N[5]C[5])	C[5,5](C[5,5]C[5]2H)(C[5]O[5]O)(N[5]N[5])(CCHH){1|C<4>,3|H<1>}	C(C[5,5]C[5,5]C[5]N[5])(CCHH)(H)2	N[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	106.8010	0.000	1	106.8010	0.000	1	106.8010	0.000	1	106.8010	0.000	1	109.3183	2.923	7	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5,5]	C	N[5]	4:4:2:4:	4:1:1:1:	4:3:	C[5,5]-4:C[5]-4:N[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[5]Cl2)(N[5]C[5])(CH3)	C(C[5,5]C[5,5]C[5]N[5])(H)3	N[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])	C[5,5](C[5,5]C[5]N[5]C)(C[5]C[5]Cl2)(N[5]C[5])(CH3){2|Cl<1>,2|C<3>}	C(C[5,5]C[5,5]C[5]N[5])(H)3	N[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5]){4|Cl<1>,1|C<4>,1|N<2>,3|C<3>}	108.4620	0.027	2	108.4620	0.001	2	108.7970	0.337	3	108.7970	0.337	3	109.3183	2.923	7	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5,5]	C	N[5]	4:4:2:4:	4:1:1:1:	4:3:	C[5,5]-4:C[5]-4:N[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(N[5]C[5])(CH3)	C(C[5,5]C[5,5]C[5]N[5])(H)3	N[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(N[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[5,5]C[5,5]C[5]N[5])(H)3	N[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C){1|C<3>,1|N<3>,5|H<1>}	109.4670	0.000	1	109.4670	0.000	1	108.7970	0.337	3	108.7970	0.337	3	109.3183	2.923	7	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5,5]	C	N[5]	4:4:2:4:	4:2:1:1:	4:3:	C[5,5]-4:C[5]-4:N[5]-2:C-4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]O[5]2C)(C[5]C[5]HH)(N[5]C[5])(CHHO)	C(C[5,5]C[5,5]C[5]N[5])(OH)(H)2	N[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]C)	C[5,5](C[5,5]O[5]2C)(C[5]C[5]HH)(N[5]C[5])(CHHO){1|C<3>,1|C<4>,1|H<1>}	C(C[5,5]C[5,5]C[5]N[5])(OH)(H)2	N[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]C){1|O<2>,2|C<4>,2|H<1>}	110.0430	0.000	1	110.0430	0.000	1	110.0430	0.000	1	110.0430	0.000	1	109.3183	2.923	7	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5,6]	C	N[5]	3:4:2:4:	4:1:1:1:	4:3:	C[6,6a]-3:C[5,6]-4:N[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5])(CH3)	C(C[5,6]C[6,6a]C[5,6]N[5])(H)3	N[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5])(CH3){1|O<2>,4|C<3>,4|H<1>}	C(C[5,6]C[6,6a]C[5,6]N[5])(H)3	N[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]C){1|C<4>,2|H<1>,3|C<3>}	108.7690	0.000	1	108.7690	0.000	1	109.0293	0.053	3	109.0293	0.053	3	107.7561	2.242	7	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5,6]	C	N[5]	3:4:2:4:	4:1:1:1:	4:3:	C[6,6a]-3:C[5,6]-4:N[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5]H)(N[5]C[5])(CH3)	C(C[5,6]C[6,6a]C[5,6]N[5])(H)3	N[5](C[5,6]C[6,6a]C[5,6]C)(C[5]S[5]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]S[5]H)(N[5]C[5])(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[5,6]C[6,6a]C[5,6]N[5])(H)3	N[5](C[5,6]C[6,6a]C[5,6]C)(C[5]S[5]C){1|H<1>,3|C<3>}	109.1595	0.070	2	109.1595	0.005	2	109.0293	0.053	3	109.0293	0.053	3	107.7561	2.242	7	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5,6]	C	N[5]	3:4:2:4:	4:3:1:1:	4:3:	C[5,6]-3:C[6]-4:N[5]-2:C-4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(N[5]C[5])(CCHH)	C(C[5,6]C[5,6]C[6]N[5])(CCO)(H)2	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(N[5]C[5])(CCHH){3|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[6]N[5])(CCO)(H)2	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H){2|C<4>,3|H<1>}	106.4720	1.045	2	106.4720	1.092	2	106.4720	1.092	2	106.4720	1.092	2	107.7561	2.242	7	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5,6]	C	N[5]	4:4:2:4:	4:1:1:1:	4:3:	C[5,6]-4:C[6]-4:N[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]N[5])(H)3	N[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]N)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5])(CH3){1|C<4>,1|N<3>,1|S<4>,4|H<1>}	C(C[5,6]C[5,6]C[6]N[5])(H)3	N[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]N){1|S<4>,2|C<4>,3|H<1>}	108.4170	0.000	1	108.4170	0.000	1	107.1305	3.310	2	107.1305	3.310	2	107.7561	2.242	7	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5,6]	C	N[5]	4:4:2:4:	4:1:1:1:	4:3:	C[5,6]-4:C[6]-4:N[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]ClH)(N[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]N[5])(H)3	N[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]C)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]ClH)(N[5]C[5])(CH3){1|C<3>,1|O<1>,2|C<4>}	C(C[5,6]C[5,6]C[6]N[5])(H)3	N[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]C){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	105.8440	0.000	1	105.8440	0.000	1	107.1305	3.310	2	107.1305	3.310	2	107.7561	2.242	7	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	2:2:2:4:	4:1:1:1:	3:4:	N[5]-2:O[5]-2:O-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](N[5]C[5])(O[5]C[5])(OC[6a])(CH3)	C(C[5]N[5]O[5]O)(H)3	N[5](C[5]C[6a]C[5])(C[5]O[5]CO)	C[5](N[5]C[5])(O[5]C[5])(OC[6a])(CH3){1|C<3>,1|H<1>,1|O<2>}	C(C[5]N[5]O[5]O)(H)3	N[5](C[5]C[6a]C[5])(C[5]O[5]CO){1|H<1>,1|O<2>,2|C<3>}	113.8520	0.000	1	113.8520	0.000	1	113.8520	0.000	1	113.8520	0.000	1	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	2:2:2:4:	4:4:1:1:	3:4:	N[5]-2:O[5]-2:O-2:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-4:	C[5](N[5]C[5])(O[5]C[5])(OC[6a])(CCHH)	C(C[5]N[5]O[5]O)(CH3)(H)2	N[5](C[5]C[6a]C[5])(C[5]O[5]CO)	C[5](N[5]C[5])(O[5]C[5])(OC[6a])(CCHH){1|C<3>,1|H<1>,1|O<2>}	C(C[5]N[5]O[5]O)(CH3)(H)2	N[5](C[5]C[6a]C[5])(C[5]O[5]CO){1|H<1>,1|O<2>,2|C<3>}	113.5525	1.634	2	113.5525	2.670	2	113.5525	2.670	2	113.5525	2.670	2	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	2:2:4:4:	4:1:1:1:	3:4:	N[5]-2:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](N[5]C[5,6a])2(CH3)2	C(C[5]N[5]2C)(H)3	N[5](C[5,6a]C[5,6a]C[6,6a])(C[5]N[5]CC)	C[5](N[5]C[5,6a])2(CH3)2{2|C<3>}	C(C[5]N[5]2C)(H)3	N[5](C[5,6a]C[5,6a]C[6,6a])(C[5]N[5]CC){3|C<3>}	109.4170	0.533	2	109.4170	0.284	2	109.4170	0.284	2	109.2243	3.009	18	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	2:2:4:4:	4:1:1:1:	3:4:	N[5]-2:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](N[5]C[5])2(CH3)2	C(C[5]N[5]2C)(H)3	N[5](C[5]C[5a]C[5])(C[5]N[5]CC)	C[5](N[5]C[5])2(CH3)2{2|C<3>}	C(C[5]N[5]2C)(H)3	N[5](C[5]C[5a]C[5])(C[5]N[5]CC){1|N<3>,2|C<3>}	109.6045	0.476	2	109.5245	0.092	4	108.4911	3.835	10	109.2243	3.009	18	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	2:2:4:4:	4:1:1:1:	3:4:	N[5]-2:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](N[5]C[5])2(CH3)2	C(C[5]N[5]2C)(H)3	N[5](C[5]C[5a]C[5])(C[5]N[5]CC)	C[5](N[5]C[5])2(CH3)2{2|C<3>}	C(C[5]N[5]2C)(H)3	N[5](C[5]C[5a]C[5])(C[5]N[5]CC){3|C<3>}	109.4445	0.153	2	109.5245	0.092	4	108.4911	3.835	10	109.2243	3.009	18	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	2:2:4:4:	4:1:1:1:	3:4:	N[5]-2:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](N[5]C[5])2(CH3)2	C(C[5]N[5]2C)(H)3	N[5](C[5]C[6a]C[5])(C[5]N[5]CC)	C[5](N[5]C[5])2(CH3)2{2|C<3>}	C(C[5]N[5]2C)(H)3	N[5](C[5]C[6a]C[5])(C[5]N[5]CC){3|C<3>}	107.8022	2.329	6	107.8022	5.424	6	108.4911	3.835	10	109.2243	3.009	18	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	2:2:4:4:	4:1:1:1:	3:4:	N[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:	C[5](N[5]C[5,6])(O[5]C[5,6])(CH3)2	C(C[5]N[5]O[5]C)(H)3	N[5](C[5,6]C[5,6]C[6])(C[5]O[5]CC)	C[5](N[5]C[5,6])(O[5]C[5,6])(CH3)2{2|C<3>}	C(C[5]N[5]O[5]C)(H)3	N[5](C[5,6]C[5,6]C[6])(C[5]O[5]CC){1|C<3>,1|N<3>,1|O<1>}	110.6120	0.683	2	110.4627	0.196	4	110.4627	0.196	4	109.2243	3.009	18	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	2:2:4:4:	4:1:1:1:	3:4:	N[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:	C[5](N[5]C[5,6])(O[5]C[5,6])(CH3)2	C(C[5]N[5]O[5]C)(H)3	N[5](C[5,6]C[5,6]C[6])(C[5]O[5]CC)	C[5](N[5]C[5,6])(O[5]C[5,6])(CH3)2{2|C<3>}	C(C[5]N[5]O[5]C)(H)3	N[5](C[5,6]C[5,6]C[6])(C[5]O[5]CC){3|C<3>}	110.3135	0.179	2	110.4627	0.196	4	110.4627	0.196	4	109.2243	3.009	18	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	2:2:4:4:	4:1:1:1:	3:4:	N[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](N[5]C[5])(O[5]P[5])(CH3)2	C(C[5]N[5]O[5]C)(H)3	N[5](C[5]C[5]P[5])(C[5]O[5]CC)	C[5](N[5]C[5])(O[5]P[5])(CH3)2{1|W<6>,2|C<4>}	C(C[5]N[5]O[5]C)(H)3	N[5](C[5]C[5]P[5])(C[5]O[5]CC){1|Fe<10>,1|W<6>,3|C<4>}	110.2205	1.483	2	110.2205	2.199	2	110.2205	2.199	2	109.2243	3.009	18	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	2:2:4:4:	4:4:1:1:	4:2:	N[5]-2:S[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-2:	C[5](N[5]N[5])(S[5]C[5])(CCHH)2	C(C[5]N[5]S[5]C)(CCHH)(H)2	N[5](C[5]S[5]CC)(N[5]C[5])	C[5](N[5]N[5])(S[5]C[5])(CCHH)2{1|N<2>}	C(C[5]N[5]S[5]C)(CCHH)(H)2	N[5](C[5]S[5]CC)(N[5]C[5]){1|N<2>}	107.5375	1.066	2	107.5375	1.136	2	107.5375	1.136	2	107.5375	1.136	2	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	2:3:4:1:	4:3:1:1:	5:4:	N[5]-2:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	P[5,5]-5:C[5]-4:	C[5](N[5]P[5,5])(C[5]O[5]O)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	N[5](P[5,5]N[5]O[5]2Cl)(C[5]C[5]CH)	C[5](N[5]P[5,5])(C[5]O[5]O)(CC[6a]HH)(H){1|Cl<1>,1|N<3>,1|O<2>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	N[5](P[5,5]N[5]O[5]2Cl)(C[5]C[5]CH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	112.7250	0.000	1	112.7250	0.000	1	112.7250	0.000	1	112.7250	0.000	1	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	2:3:4:1:	4:4:4:1:	5:4:	N[5]-2:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	P[5,5]-5:C[5]-4:	C[5](N[5]P[5,5])(C[5]O[5]O)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	N[5](P[5,5]N[5]O[5]2Cl)(C[5]C[5]CH)	C[5](N[5]P[5,5])(C[5]O[5]O)(CCCH)(H){1|Cl<1>,1|N<2>,1|O<2>}	C(C[5]C[5]N[5]H)(CH3)2(H)	N[5](P[5,5]N[5]O[5]2Cl)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>}	114.8000	0.000	1	114.8000	0.000	1	114.8000	0.000	1	114.8000	0.000	1	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:2:2:4:	4:1:1:1:	4:3:	C[6a]-3:N[5]-2:O[5]-2:C-4:	C[5]-4:F-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])(CFHH)	C(C[5]C[6a]N[5]O[5])(F)(H)2	N[5](C[5]C[6a]O[5]C)(C[5]C[5]C)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])(CFHH){1|C<4>,2|C<3>,4|H<1>}	C(C[5]C[6a]N[5]O[5])(F)(H)2	N[5](C[5]C[6a]O[5]C)(C[5]C[5]C){2|C<3>,2|H<1>}	109.6840	0.000	1	109.6840	0.000	1	109.5110	0.060	2	109.5110	0.060	2	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:2:2:4:	4:1:1:1:	4:3:	C[6a]-3:N[5]-2:O[5]-2:C-4:	C[5]-4:F-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])(CFHH)	C(C[5]C[6a]N[5]O[5])(F)(H)2	N[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])(CFHH){1|O<1>,2|H<1>,3|C<3>}	C(C[5]C[6a]N[5]O[5])(F)(H)2	N[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5]){1|O<1>,4|C<3>}	109.3380	0.000	1	109.3380	0.000	1	109.5110	0.060	2	109.5110	0.060	2	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:2:2:4:	4:3:1:1:	4:3:	C[6a]-3:N[5]-2:O[5]-2:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])(CCHH)	C(C[5]C[6a]N[5]O[5])(CCH)(H)2	N[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])(CCHH){1|O<1>,2|H<1>,3|C<3>}	C(C[5]C[6a]N[5]O[5])(CCH)(H)2	N[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5]){1|O<1>,4|C<3>}	110.1170	0.000	1	110.1170	0.000	1	110.1170	0.000	1	110.1170	0.000	1	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:2:2:4:	4:4:4:1:	4:3:	C[5a]-3:N[5]-2:S[5]-2:C-4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5a]N[5a]S[5a])(N[5]C[5])(S[5]C[5])(CCCH)	C(C[5]C[5a]N[5]S[5])(CH3)2(H)	N[5](C[5]C[5a]S[5]C)(C[5]C[5]O)	C[5](C[5a]N[5a]S[5a])(N[5]C[5])(S[5]C[5])(CCCH){1|O<1>,2|C<3>,2|C<4>}	C(C[5]C[5a]N[5]S[5])(CH3)2(H)	N[5](C[5]C[5a]S[5]C)(C[5]C[5]O){1|N<2>,1|S<2>,2|C<4>}	111.7830	0.000	1	111.7830	0.000	1	111.7830	0.000	1	111.7830	0.000	1	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:2:4:1:	4:3:3:1:	4:3:	C[5,6a]-3:N[5]-2:C-4:H-1:	C[5]-4:N-3:C-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CCHN)(H)	C(C[5]C[5,6a]N[5]H)(NNiC)(COO)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CCHN)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]N[5]H)(NNiC)(COO)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O){2|C<3>}	111.4465	1.514	2	111.4465	2.292	2	111.4465	2.292	2	111.4465	2.292	2	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:2:4:1:	4:4:1:1:	4:3:	C[5]-3:N[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]O[5]O)(N[5]C[5])(CCHH)(H)	C(C[5]C[5]N[5]H)(CCHH)(H)2	N[5](C[5]C[5]CH)(C[5]O[5]O)	C[5](C[5]O[5]O)(N[5]C[5])(CCHH)(H){1|O<1>}	C(C[5]C[5]N[5]H)(CCHH)(H)2	N[5](C[5]C[5]CH)(C[5]O[5]O){1|O<1>}	114.7480	0.000	1	114.7480	0.000	1	114.7480	0.000	1	114.7480	0.000	1	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:2:4:1:	4:4:4:1:	4:3:	C[5]-3:N[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	N[5](C[5]C[5]CH)(C[5]N[5]S)	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(H){1|C<3>,1|S<2>}	C(C[5]C[5]N[5]H)(CH3)2(H)	N[5](C[5]C[5]CH)(C[5]N[5]S){1|C<3>,1|O<1>}	111.3430	0.000	1	111.3430	0.000	1	111.3430	0.000	1	111.3430	0.000	1	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:2:4:1:	4:4:4:4:	3:4:	C[5,5]-3:N[5]-2:C-4:Cl-1:	C[5]-4:C-4:C-4:C-4:	C[5,6]-3:C[5]-4:	C[5](C[5,5]C[5,5,6]C[5])(N[5]C[5,6])(CC3)(Cl)	C(C[5]C[5,5]N[5]Cl)(CH3)3	N[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]ClC)	C[5](C[5,5]C[5,5,6]C[5])(N[5]C[5,6])(CC3)(Cl){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>}	C(C[5]C[5,5]N[5]Cl)(CH3)3	N[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]ClC){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	109.8510	0.000	1	109.8510	0.000	1	109.8510	0.000	1	109.8510	0.000	1	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:2:4:2:	4:1:1:1:	3:4:	C[5]-3:N[5]-2:C-4:O-2:	C[5]-4:Br-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]S[5]O)(N[5]C[5])(CBrHH)(OH)	C(C[5]C[5]N[5]O)(Br)(H)2	N[5](C[5]C[6a]S[5])(C[5]C[5]CO)	C[5](C[5]S[5]O)(N[5]C[5])(CBrHH)(OH){1|C<3>}	C(C[5]C[5]N[5]O)(Br)(H)2	N[5](C[5]C[6a]S[5])(C[5]C[5]CO){1|O<1>,2|C<3>}	113.9820	0.000	1	113.9820	0.000	1	113.9820	0.000	1	113.9820	0.000	1	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:2:4:2:	4:3:2:1:	4:3:	C[5a]-3:O[5]-2:C-4:N[5]-2:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5a]C[5a]O[5a])(O[5]C[5,5])(CC[6a]HO)(N[5]C[5])	C(C[5]C[5a]N[5]O[5])(C[6a]C[6a]2)(OH)(H)	N[5](C[5]C[5a]O[5]C)(C[5]C[5,5]H)	C[5](C[5a]C[5a]O[5a])(O[5]C[5,5])(CC[6a]HO)(N[5]C[5]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[5]C[5a]N[5]O[5])(C[6a]C[6a]2)(OH)(H)	N[5](C[5]C[5a]O[5]C)(C[5]C[5,5]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	110.5670	0.000	1	110.5670	0.000	1	110.5670	0.000	1	110.5670	0.000	1	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:2:4:2:	4:4:4:4:	4:3:	C[5]-3:N[5]-2:C-4:O-2:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(N[5]C[5])(CC3)(OO)	C(C[5]C[5]N[5]O)(CH3)3	N[5](C[5]C[5]CO)(C[5]C[5]C)	C[5](C[5]C[5]C)(N[5]C[5])(CC3)(OO){2|C<4>}	C(C[5]C[5]N[5]O)(CH3)3	N[5](C[5]C[5]CO)(C[5]C[5]C){2|C<4>}	108.6050	0.000	1	108.6050	0.000	1	108.6050	0.000	1	108.6050	0.000	1	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:2:4:3:	4:1:1:1:	3:4:	C[5]-3:N[5]-2:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]O[5]O)(N[5]C[5])(CH3)(COO)	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[6a]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]O)(N[5]C[5])(CH3)(COO){1|C<3>}	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[6a]O[5])(C[5]C[5]CC){1|O<1>,2|C<3>}	112.6810	0.362	2	112.6810	0.131	2	112.6810	0.131	2	112.6810	0.131	2	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:2:4:3:	4:4:4:1:	3:4:	N[5]-3:N[5]-2:C-4:C-3:	C[5]-4:C-4:C-4:H-1:	C[5]-3:C[5]-4:	C[5](N[5]N[5]C)(N[5]C[5])(CCCH)(COO)	C(C[5]N[5]2C)(CH3)2(H)	N[5](C[5]C[6a]N[5])(C[5]N[5]CC)	C[5](N[5]N[5]C)(N[5]C[5])(CCCH)(COO){2|C<3>}	C(C[5]N[5]2C)(CH3)2(H)	N[5](C[5]C[6a]N[5])(C[5]N[5]CC){4|C<3>}	110.5820	0.000	1	110.5820	0.000	1	110.5820	0.000	1	110.5820	0.000	1	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:2:4:4:	4:1:1:1:	3:4:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:	C[5](C[5]N[5,6]O)(N[5]C[5,6])(CH3)2	C(C[5]C[5]N[5]C)(H)3	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]CC)	C[5](C[5]N[5,6]O)(N[5]C[5,6])(CH3)2{2|C<4>}	C(C[5]C[5]N[5]C)(H)3	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]CC){1|N<3>,1|O<1>,3|C<4>}	110.2275	0.872	2	110.2275	0.760	2	110.2275	0.760	2	109.9079	1.708	26	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:2:4:4:	4:1:1:1:	3:4:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(CH3)	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[6]N[5])(C[5]C[5]CC)	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(CH3){1|Cu<5>,1|C<3>}	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[6]N[5])(C[5]C[5]CC){1|Cu<5>,1|C<3>,1|N<3>,1|O<1>}	110.8930	0.000	1	110.8930	0.000	1	110.3845	0.742	8	109.9079	1.708	26	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:2:4:4:	4:1:1:1:	3:4:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(CH3)	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[6a]N[5])(C[5]C[5]CC){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	110.1393	0.386	3	110.1393	0.149	3	110.3845	0.742	8	109.9079	1.708	26	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:2:4:4:	4:1:1:1:	3:4:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5])(CCHH)(CH3)	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)	C[5](C[5]N[5]O)(N[5]C[5])(CCHH)(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[6a]N[5])(C[5]C[5]CC){1|H<1>,1|O<1>,2|C<3>}	110.4950	0.000	1	110.4950	0.000	1	110.3845	0.742	8	109.9079	1.708	26	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:2:4:4:	4:1:1:1:	3:4:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]O[5]C)(N[5]C[5])(CH3)2	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[6a]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]C)(N[5]C[5])(CH3)2{1|C<3>}	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[6a]O[5])(C[5]C[5]CC){3|C<3>}	109.5935	0.554	2	109.5935	0.307	2	110.3845	0.742	8	109.9079	1.708	26	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:2:4:4:	4:1:1:1:	3:4:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]O[5]O)(N[5]C[5])(CCHN)(CH3)	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[6a]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]O)(N[5]C[5])(CCHN)(CH3){1|C<3>}	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[6a]O[5])(C[5]C[5]CC){1|O<1>,2|C<3>}	112.0830	0.000	1	112.0830	0.000	1	110.3845	0.742	8	109.9079	1.708	26	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:2:4:4:	4:1:1:1:	3:4:	N[3,5]-3:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](N[3,5]C[3,5]C[3])(N[5]C[5])(CH3)2	C(C[5]N[3,5]N[5]C)(H)3	N[5](C[5]C[3,5]C[6a])(C[5]N[3,5]CC)	C[5](N[3,5]C[3,5]C[3])(N[5]C[5])(CH3)2{2|C<3>,2|H<1>}	C(C[5]N[3,5]N[5]C)(H)3	N[5](C[5]C[3,5]C[6a])(C[5]N[3,5]CC){1|C<4>,1|H<1>,2|C<3>}	109.1683	1.817	8	109.1683	3.303	8	109.1683	3.303	8	109.9079	1.708	26	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:2:4:4:	4:1:1:1:	3:4:	N[5]-3:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a])(CH3)2	C(C[5]N[5]2C)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)	C[5](N[5]C[5,6a]Cu)(N[5]C[5,6a])(CH3)2{2|C<3>}	C(C[5]N[5]2C)(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC){1|Cu<3>,1|H<1>,2|C<3>}	109.2990	0.379	2	109.2990	0.144	2	109.2990	0.144	2	109.9079	1.708	26	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:2:4:4:	4:1:1:1:	3:4:	N[5]-3:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](N[5]C[5]H)(N[5]C[5])(CH3)2	C(C[5]N[5]2C)(H)3	N[5](C[5]C[6a]C[5])(C[5]N[5]CC)	C[5](N[5]C[5]H)(N[5]C[5])(CH3)2{1|C<3>,1|O<1>}	C(C[5]N[5]2C)(H)3	N[5](C[5]C[6a]C[5])(C[5]N[5]CC){1|H<1>,1|O<1>,2|C<3>}	109.2535	0.579	2	109.2535	0.335	2	110.3552	1.030	6	109.9079	1.708	26	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:2:4:4:	4:1:1:1:	3:4:	N[5]-3:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](N[5]C[5]O)(N[5]C[5])(CH3)2	C(C[5]N[5]2C)(H)3	N[5](C[5]C[5]N[5])(C[5]N[5]CC)	C[5](N[5]C[5]O)(N[5]C[5])(CH3)2{1|N<3>,2|C<4>}	C(C[5]N[5]2C)(H)3	N[5](C[5]C[5]N[5])(C[5]N[5]CC){1|C<3>,1|O<1>,3|C<4>}	110.8285	0.046	2	110.8285	0.002	2	110.3552	1.030	6	109.9079	1.708	26	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:2:4:4:	4:1:1:1:	3:4:	N[5]-3:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](N[5]C[5]O)(N[5]C[5])(CH3)2	C(C[5]N[5]2C)(H)3	N[5](C[5]C[6a]C[5])(C[5]N[5]CC)	C[5](N[5]C[5]O)(N[5]C[5])(CH3)2{2|C<3>}	C(C[5]N[5]2C)(H)3	N[5](C[5]C[6a]C[5])(C[5]N[5]CC){1|O<1>,3|C<3>}	110.9835	1.071	2	110.9835	1.148	2	110.3552	1.030	6	109.9079	1.708	26	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:2:4:4:	4:1:1:1:	4:2:	N[5]-3:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:	C[5](N[5]C[6a]C[5])(N[5]N[5])(CCHH)(CH3)	C(C[5]N[5]2C)(H)3	N[5](C[5]N[5]CC)(N[5]C[5])	C[5](N[5]C[6a]C[5])(N[5]N[5])(CCHH)(CH3){1|S<1>,2|C<3>}	C(C[5]N[5]2C)(H)3	N[5](C[5]N[5]CC)(N[5]C[5]){1|C<3>,1|S<1>}	109.2760	0.000	1	109.2760	0.000	1	109.0999	0.337	7	109.0999	0.337	7	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:2:4:4:	4:1:1:1:	4:2:	N[5]-3:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:	C[5](N[5]C[6a]C[5])(N[5]N[5])(CH3)2	C(C[5]N[5]2C)(H)3	N[5](C[5]N[5]CC)(N[5]C[5])	C[5](N[5]C[6a]C[5])(N[5]N[5])(CH3)2{1|S<1>,2|C<3>}	C(C[5]N[5]2C)(H)3	N[5](C[5]N[5]CC)(N[5]C[5]){1|C<3>,1|S<1>}	109.0705	0.630	6	109.0705	0.397	6	109.0999	0.337	7	109.0999	0.337	7	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:2:4:4:	4:1:1:1:	4:3:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(N[5]C[5])(CCHH)(CH3)	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[5]CC)(C[5]C[5]C)	C[5](C[5]C[5]C)(N[5]C[5])(CCHH)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[5]CC)(C[5]C[5]C){1|C<4>,1|H<1>}	108.5170	0.000	1	108.5170	0.000	1	110.9826	1.250	14	111.2591	1.660	16	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:2:4:4:	4:1:1:1:	4:3:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(CH3)	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[5]CC)(C[5]N[5]S)	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(CH3){1|H<1>,1|S<1>}	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[5]CC)(C[5]N[5]S){1|H<1>,1|O<1>}	111.3100	0.000	1	111.3100	0.000	1	110.9826	1.250	14	111.2591	1.660	16	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:2:4:4:	4:1:1:1:	4:3:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(N[5]C[5])(CH3)2	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[5]CC)(C[5]N[5]N)	C[5](C[5]N[5]O)(N[5]C[5])(CH3)2{1|C<3>,1|N<3>}	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[5]CC)(C[5]N[5]N){1|C<3>,1|O<1>}	110.1635	1.208	2	110.1635	1.460	2	110.9826	1.250	14	111.2591	1.660	16	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:2:4:4:	4:1:1:1:	4:3:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(N[5]C[5])(CH3)2	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[5]CC)(C[5]N[5]O)	C[5](C[5]N[5]O)(N[5]C[5])(CH3)2{1|C<4>,1|O<1>}	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[5]CC)(C[5]N[5]O){1|C<4>,1|O<1>}	111.5285	0.539	8	111.5285	0.291	8	110.9826	1.250	14	111.2591	1.660	16	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:2:4:4:	4:1:1:1:	4:3:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]O[5]O)(N[5]C[5])(CH3)2	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[5]CC)(C[5]O[5]C)	C[5](C[5]O[5]O)(N[5]C[5])(CH3)2{1|C<4>}	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[5]CC)(C[5]O[5]C){1|O<1>}	110.6870	1.633	2	110.6870	2.668	2	110.9826	1.250	14	111.2591	1.660	16	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:2:4:4:	4:1:1:1:	4:3:	N[5]-3:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]N[5]O)(N[5]C[5])(CH3)2	C(C[5]N[5]2C)(H)3	N[5](C[5]N[5]CC)(C[5]N[5]O)	C[5](N[5]N[5]O)(N[5]C[5])(CH3)2{1|O<1>}	C(C[5]N[5]2C)(H)3	N[5](C[5]N[5]CC)(C[5]N[5]O){1|O<1>}	113.1950	0.288	2	113.1950	0.083	2	113.1950	0.083	2	111.2591	1.660	16	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:2:4:4:	4:1:1:1:	4:4:	C[5,6a]-3:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:S[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CCHH)(CH3)	C(C[5]C[5,6a]N[5]C)(H)3	N[5](C[5]C[5,6a]CC)(S[5]C[5,6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CCHH)(CH3){1|H<1>,2|C<3>,2|O<1>}	C(C[5]C[5,6a]N[5]C)(H)3	N[5](C[5]C[5,6a]CC)(S[5]C[5,6a]OO){2|C<3>}	109.0710	0.000	1	109.0710	0.000	1	109.0710	0.000	1	109.0710	0.000	1	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:2:4:4:	4:2:1:1:	4:4:	C[5,6a]-3:N[5]-2:C-4:C-4:	C[5]-4:C-2:H-1:H-1:	C[5]-4:S[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CCHH)(CH3)	C(C[5]C[5,6a]N[5]C)(CC)(H)2	N[5](C[5]C[5,6a]CC)(S[5]C[5,6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CCHH)(CH3){1|H<1>,2|C<3>,2|O<1>}	C(C[5]C[5,6a]N[5]C)(CC)(H)2	N[5](C[5]C[5,6a]CC)(S[5]C[5,6a]OO){2|C<3>}	109.4560	0.000	1	109.4560	0.000	1	109.4560	0.000	1	109.4560	0.000	1	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:2:4:4:	4:3:1:1:	4:3:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(N[5]C[5])(CCHH)(CH3)	C(C[5]C[5]N[5]C)(CCH)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]C)	C[5](C[5]C[5]C)(N[5]C[5])(CCHH)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5]C)(CCH)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]C){1|C<4>,1|H<1>}	108.7980	0.000	1	108.7980	0.000	1	108.7980	0.000	1	108.7980	0.000	1	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:2:4:4:	4:4:1:1:	3:4:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5])(CCHH)(CH3)	C(C[5]C[5]N[5]C)(CCHH)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)	C[5](C[5]N[5]O)(N[5]C[5])(CCHH)(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]N[5]C)(CCHH)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CC){1|H<1>,1|O<1>,2|C<3>}	110.3970	0.000	1	110.3970	0.000	1	110.3970	0.000	1	110.3970	0.000	1	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:2:4:4:	4:4:1:1:	4:2:	N[5]-3:N[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-2:	C[5](N[5]C[6a]C[5])(N[5]N[5])(CCHH)(CH3)	C(C[5]N[5]2C)(CH3)(H)2	N[5](C[5]N[5]CC)(N[5]C[5])	C[5](N[5]C[6a]C[5])(N[5]N[5])(CCHH)(CH3){1|S<1>,2|C<3>}	C(C[5]N[5]2C)(CH3)(H)2	N[5](C[5]N[5]CC)(N[5]C[5]){1|C<3>,1|S<1>}	110.0810	0.000	1	110.0810	0.000	1	108.7190	2.191	3	108.7190	2.191	3	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:2:4:4:	4:4:1:1:	4:2:	N[5]-3:N[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-2:	C[5](N[5]C[6a]C[5])(N[5]N[5])(CCHH)2	C(C[5]N[5]2C)(CCHH)(H)2	N[5](C[5]N[5]CC)(N[5]C[5])	C[5](N[5]C[6a]C[5])(N[5]N[5])(CCHH)2{1|S<1>,2|C<3>}	C(C[5]N[5]2C)(CCHH)(H)2	N[5](C[5]N[5]CC)(N[5]C[5]){1|C<3>,1|S<1>}	108.0380	1.264	2	108.0380	1.598	2	108.7190	2.191	3	108.7190	2.191	3	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:2:4:4:	4:4:3:1:	3:4:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-4:C-4:N-3:H-1:	C[5]-3:C[5]-4:	C[5](C[5]O[5]O)(N[5]C[5])(CCHN)(CH3)	C(C[5]C[5]N[5]C)(CH3)(NHS)(H)	N[5](C[5]C[6a]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]O)(N[5]C[5])(CCHN)(CH3){1|C<3>}	C(C[5]C[5]N[5]C)(CH3)(NHS)(H)	N[5](C[5]C[6a]O[5])(C[5]C[5]CC){1|O<1>,2|C<3>}	110.0420	0.000	1	110.0420	0.000	1	110.0420	0.000	1	110.0420	0.000	1	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:2:4:4:	4:4:4:1:	3:4:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-4:C-4:C-4:H-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(CH3)	C(C[5]C[5]N[5]C)(CH3)2(H)	N[5](C[5]C[6]N[5])(C[5]C[5]CC)	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(CH3){1|Cu<5>,1|C<3>}	C(C[5]C[5]N[5]C)(CH3)2(H)	N[5](C[5]C[6]N[5])(C[5]C[5]CC){1|Cu<5>,1|C<3>,1|N<3>,1|O<1>}	109.7930	0.000	1	109.7930	0.000	1	110.3048	1.745	4	110.3048	1.745	4	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:2:4:4:	4:4:4:1:	3:4:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-4:C-4:C-4:H-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(CH3)	C(C[5]C[5]N[5]C)(CH3)2(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]N[5]C)(CH3)2(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]CC){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	110.4753	1.563	3	110.4753	2.443	3	110.3048	1.745	4	110.3048	1.745	4	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:2:4:4:	4:4:4:1:	4:3:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(CH3)	C(C[5]C[5]N[5]C)(CH3)2(H)	N[5](C[5]C[5]CC)(C[5]N[5]S)	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(CH3){1|H<1>,1|S<1>}	C(C[5]C[5]N[5]C)(CH3)2(H)	N[5](C[5]C[5]CC)(C[5]N[5]S){1|H<1>,1|O<1>}	111.9590	0.000	1	111.9590	0.000	1	111.9590	0.000	1	111.9590	0.000	1	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:3:2:4:	4:1:1:1:	4:3:	C[6a]-3:C[5]-3:N[5]-2:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5])(CF3)	C(C[5]C[6a]C[5]N[5])(F)3	N[5](C[5]C[6a]C[5]C)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5])(CF3){3|C<3>,3|H<1>}	C(C[5]C[6a]C[5]N[5])(F)3	N[5](C[5]C[6a]C[5]C)(C[5]C[6a]N[5]){1|H<1>,1|O<1>,4|C<3>}	106.0530	0.000	1	106.0530	0.000	1	106.0530	0.000	1	106.0530	0.000	1	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:3:2:4:	4:4:1:1:	4:4:	C[5,6a]-3:C[6a]-3:N[5]-2:C-4:	C[5]-4:S-4:F-1:F-1:	C[5]-4:S[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5])(CFFS)	C(C[5]C[5,6a]C[6a]N[5])(SC[6a]OO)(F)2	N[5](C[5]C[5,6a]C[6a]C)(S[5]C[5,6a]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5])(CFFS){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]N[5])(SC[6a]OO)(F)2	N[5](C[5]C[5,6a]C[6a]C)(S[5]C[5,6a]CO){4|C<3>}	104.5650	0.000	1	104.5650	0.000	1	104.5650	0.000	1	104.5650	0.000	1	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:3:2:4:	4:4:3:1:	4:3:	C[6a]-3:C[5]-3:N[5]-2:C-4:	C[5]-4:C-4:C-3:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5])(CCCH)	C(C[5]C[6a]C[5]N[5])(CCHH)(CCH)(H)	N[5](C[5]C[6a]C[5]C)(C[5]N[5]2)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5])(CCCH){1|N<3>,2|H<1>,3|C<3>}	C(C[5]C[6a]C[5]N[5])(CCHH)(CCH)(H)	N[5](C[5]C[6a]C[5]C)(C[5]N[5]2){1|O<1>,2|C<4>,3|C<3>}	112.4655	0.204	2	112.4655	0.042	2	112.4655	0.042	2	109.6564	5.732	7	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:3:2:4:	4:4:3:1:	4:3:	C[6a]-3:C[5]-3:N[5]-2:C-4:	C[5]-4:C-4:N-3:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]S[5]O)(N[5]C[5])(CCHN)	C(C[5]C[6a]C[5]N[5])(CH3)(NCH)(H)	N[5](C[5]C[6a]C[5]C)(C[5]C[6a]S[5])	C[5](C[6a]C[6a]2)(C[5]S[5]O)(N[5]C[5])(CCHN){2|H<1>,3|C<3>}	C(C[5]C[6a]C[5]N[5])(CH3)(NCH)(H)	N[5](C[5]C[6a]C[5]C)(C[5]C[6a]S[5]){1|O<1>,4|C<3>}	109.6990	0.801	3	109.6990	0.642	3	109.6990	0.642	3	109.6564	5.732	7	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:3:2:4:	4:4:3:1:	4:3:	C[6a]-3:N[5]-3:N[5]-2:C-4:	C[5]-4:C-4:C-3:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]S)(N[5]C[5])(CCCH)	C(C[5]C[6a]N[5]2)(CH3)(COO)(H)	N[5](C[5]C[6a]N[5]C)(C[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(N[5]C[5]S)(N[5]C[5])(CCCH){3|C<3>,4|H<1>}	C(C[5]C[6a]N[5]2)(CH3)(COO)(H)	N[5](C[5]C[6a]N[5]C)(C[5]C[6a]C[5]){1|S<4>,2|H<1>,4|C<3>}	106.7835	0.880	2	106.7835	0.775	2	106.7835	0.775	2	109.6564	5.732	7	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:4:2:1:	4:3:1:1:	3:4:	C[5]-3:C-4:N[5]-2:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]O[5]O)(CC[6a]HH)(N[5]C[5])(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	N[5](C[5]C[6a]O[5])(C[5]C[5]CH)	C[5](C[5]O[5]O)(CC[6a]HH)(N[5]C[5])(H){1|C<3>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	N[5](C[5]C[6a]O[5])(C[5]C[5]CH){1|O<1>,2|C<3>}	114.4080	0.000	1	114.4080	0.000	1	114.4080	0.000	1	114.4080	0.000	1	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:4:2:1:	4:3:1:1:	4:3:	C[5]-3:C-4:N[5]-2:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(CC[6a]HH)(N[5]C[5])(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]CH)(C[5]N[5]C)	C[5](C[5]N[5]O)(CC[6a]HH)(N[5]C[5])(H){1|C<4>,1|N<2>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]CH)(C[5]N[5]C){1|N<2>,1|O<1>}	111.6840	0.000	1	111.6840	0.000	1	111.7740	0.016	2	111.7740	0.016	2	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:4:2:1:	4:3:1:1:	4:3:	C[5]-3:C-4:N[5]-2:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(CC[6a]HH)(N[5]C[5])(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]CH)(C[5]N[5]S)	C[5](C[5]N[5]O)(CC[6a]HH)(N[5]C[5])(H){1|C<3>,1|S<2>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]CH)(C[5]N[5]S){1|C<3>,1|O<1>}	111.8640	0.000	1	111.8640	0.000	1	111.7740	0.016	2	111.7740	0.016	2	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:4:2:1:	4:3:2:1:	4:4:	C[5,6a]-3:C-4:N[5]-2:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:S[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HO)(N[5]S[5])(H)	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(OH)(H)	N[5](C[5]C[5,6a]CH)(S[5]C[5,6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HO)(N[5]S[5])(H){1|H<1>,2|C<3>,2|O<1>}	C(C[5]C[5,6a]N[5]H)(C[6a]C[6a]2)(OH)(H)	N[5](C[5]C[5,6a]CH)(S[5]C[5,6a]OO){2|C<3>}	111.2900	0.000	1	111.2900	0.000	1	111.2900	0.000	1	111.2900	0.000	1	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:4:2:2:	4:3:1:1:	3:4:	C[5]-3:C-4:N[5]-2:C-2:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]S[5]O)(CC[6a]HH)(N[5]C[5])(CC)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	N[5](C[5]C[6a]S[5])(C[5]C[5]CC)	C[5](C[5]S[5]O)(CC[6a]HH)(N[5]C[5])(CC){1|C<3>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	N[5](C[5]C[6a]S[5])(C[5]C[5]CC){1|O<1>,2|C<3>}	109.7710	0.000	1	109.7710	0.000	1	109.7710	0.000	1	110.5165	1.112	2	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:4:2:2:	4:3:1:1:	3:4:	C[5]-3:C-4:N[5]-2:S-2:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]O[5]O)(CC[6a]HH)(N[5]C[5])(SC)	C(C[5]C[5]N[5]S)(C[6a]C[6a]2)(H)2	N[5](C[5]C[6a]O[5])(C[5]C[5]CS)	C[5](C[5]O[5]O)(CC[6a]HH)(N[5]C[5])(SC){1|C<3>}	C(C[5]C[5]N[5]S)(C[6a]C[6a]2)(H)2	N[5](C[5]C[6a]O[5])(C[5]C[5]CS){1|O<1>,2|C<3>}	111.2620	0.000	1	111.2620	0.000	1	111.2620	0.000	1	110.5165	1.112	2	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:4:2:2:	4:3:4:1:	4:3:	C[6a]-3:C-4:N[5]-2:O[5]-2:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(CC[6a]CH)(N[5]C[5])(O[5]C[5])	C(C[5]C[6a]N[5]O[5])(C[6a]C[6a]2)(CCHH)(H)	N[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(CC[6a]CH)(N[5]C[5])(O[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	C(C[5]C[6a]N[5]O[5])(C[6a]C[6a]2)(CCHH)(H)	N[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5]){1|O<1>,4|C<3>}	110.6750	0.000	1	110.6750	0.000	1	110.6750	0.000	1	110.6750	0.000	1	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:4:2:3:	4:3:1:1:	4:2:	C[5]-3:C-4:N[5]-2:C-3:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-2:	C[5](C[5]C[5]C)(CC[6a]HH)(N[5]N[5])(COO)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]CC)(N[5]C[5])	C[5](C[5]C[5]C)(CC[6a]HH)(N[5]N[5])(COO){2|H<1>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]CC)(N[5]C[5]){1|C<3>,2|H<1>}	108.7580	0.000	1	108.7580	0.000	1	108.7580	0.000	1	108.7580	0.000	1	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:4:2:3:	4:3:1:1:	4:3:	C[5]-3:C-4:N[5]-2:C-3:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(CC[6a]HH)(N[5]C[5])(COO)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5]C[5]C)(CC[6a]HH)(N[5]C[5])(COO){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]H){1|C<4>,2|C<3>}	110.0090	0.000	1	110.0090	0.000	1	110.0090	0.000	1	110.0090	0.000	1	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:4:2:4:	4:1:1:1:	3:4:	C[5]-3:C-4:N[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]O[5]O)(CC[6a]HN)(N[5]C[5])(CH3)	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[5a]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]O)(CC[6a]HN)(N[5]C[5])(CH3){1|C<3>}	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[5a]O[5])(C[5]C[5]CC){1|C<3>,1|O<1>,1|O<2>}	109.7760	0.000	1	109.7760	0.000	1	110.4657	0.828	3	110.4657	0.828	3	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:4:2:4:	4:1:1:1:	3:4:	C[5]-3:C-4:N[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]O[5]O)(CC[6a]HN)(N[5]C[5])(CH3)	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[6a]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]O)(CC[6a]HN)(N[5]C[5])(CH3){1|C<3>}	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[6a]O[5])(C[5]C[5]CC){1|O<1>,2|C<3>}	110.8105	0.971	2	110.8105	0.943	2	110.4657	0.828	3	110.4657	0.828	3	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:4:2:4:	4:1:1:1:	4:3:	C[6a]-3:C[5]-4:N[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]N[6a])(C[5]O[5]HH)(N[5]C[5])(CH3)	C(C[5]C[6a]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5]C)(C[5]C[3x6]O[5])	C[5](C[6a]C[6a]N[6a])(C[5]O[5]HH)(N[5]C[5])(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[6a]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5]C)(C[5]C[3x6]O[5]){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	108.1060	0.000	1	108.1060	0.000	1	108.1060	0.000	1	108.1060	0.000	1	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:4:2:4:	4:2:2:1:	4:3:	C[5a]-3:C[5]-4:N[5]-2:C-4:	C[5]-4:O-2:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(N[5]C[5])(CHOO)	C(C[5]C[5a]C[5]N[5])(OC)2(H)	N[5](C[5]C[5a]C[5]C)(C[5]C[5]C)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(N[5]C[5])(CHOO){2|C<4>,2|H<1>,3|C<3>}	C(C[5]C[5a]C[5]N[5])(OC)2(H)	N[5](C[5]C[5a]C[5]C)(C[5]C[5]C){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	106.6390	0.000	1	106.6390	0.000	1	106.6390	0.000	1	106.6390	0.000	1	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:4:2:4:	4:3:1:1:	4:3:	C[5]-3:C-4:N[5]-2:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]O[5]O)(CC[6a]HH)(N[5]C[5])(CCCH)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]CC)(C[5]O[5]C)	C[5](C[5]O[5]O)(CC[6a]HH)(N[5]C[5])(CCCH){1|C<4>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]CC)(C[5]O[5]C){1|O<1>}	109.9745	0.770	2	109.9745	0.593	2	109.9745	0.593	2	109.3440	3.690	6	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:4:2:4:	4:3:1:1:	4:3:	C[6a]-3:C[5]-4:N[5]-2:C-4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(CHHN)	C(C[5]C[6a]C[5]N[5])(NCS)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]O[5]C)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(CHHN){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[6a]C[5]N[5])(NCS)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]O[5]C){2|C<3>,2|H<1>}	110.7720	1.566	2	110.7720	2.451	2	109.0288	5.555	4	109.3440	3.690	6	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:4:2:4:	4:3:1:1:	4:3:	C[6a]-3:C[5]-4:N[5]-2:C-4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(CHHN)	C(C[5]C[6a]C[5]N[5])(NHS)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5])	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(CHHN){2|H<1>,3|C<3>}	C(C[5]C[6a]C[5]N[5])(NHS)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5]){2|H<1>,4|C<3>}	106.2710	0.000	1	106.2710	0.000	1	109.0288	5.555	4	109.3440	3.690	6	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:4:2:4:	4:3:1:1:	4:3:	C[6a]-3:C[5]-4:N[5]-2:C-4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(CHHN)	C(C[5]C[6a]C[5]N[5])(NHS)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]O[5]C)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5])(CHHN){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[6a]C[5]N[5])(NHS)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]O[5]C){2|C<3>,2|H<1>}	108.3000	0.000	1	108.3000	0.000	1	109.0288	5.555	4	109.3440	3.690	6	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:4:2:4:	4:3:2:1:	3:4:	C[5]-3:C-4:N[5]-2:C-4:	C[5]-4:C[6a]-3:N-2:H-1:	C[5]-3:C[5]-4:	C[5](C[5]O[5]O)(CC[6a]HN)(N[5]C[5])(CH3)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NS)(H)	N[5](C[5]C[6a]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]O)(CC[6a]HN)(N[5]C[5])(CH3){1|C<3>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NS)(H)	N[5](C[5]C[6a]O[5])(C[5]C[5]CC){1|O<1>,2|C<3>}	110.2620	0.000	1	110.2620	0.000	1	110.2620	0.000	1	110.2620	0.000	1	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:4:2:4:	4:3:3:1:	3:4:	C[5]-3:C-4:N[5]-2:C-4:	C[5]-4:C[6a]-3:C-3:H-1:	C[5]-3:C[5]-4:	C[5](C[5]O[5]O)(CC[6a]CH)(N[5]C[5])(CCCH)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CCC)(H)	N[5](C[5]C[6a]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]O)(CC[6a]CH)(N[5]C[5])(CCCH){1|C<3>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CCC)(H)	N[5](C[5]C[6a]O[5])(C[5]C[5]CC){1|O<1>,2|C<3>}	111.4140	0.000	1	111.4140	0.000	1	111.4140	0.000	1	110.9414	0.718	11	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:4:2:4:	4:3:3:1:	3:4:	C[5]-3:C-4:N[5]-2:C-4:	C[5]-4:C[6a]-3:N-3:H-1:	C[5]-3:C[5]-4:	C[5](C[5]O[5]O)(CC[6a]HN)(N[5]C[5])(CCCH)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NHS)(H)	N[5](C[5]C[6a]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]O)(CC[6a]HN)(N[5]C[5])(CCCH){1|C<3>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NHS)(H)	N[5](C[5]C[6a]O[5])(C[5]C[5]CC){1|O<1>,2|C<3>}	110.6008	0.391	8	110.6008	0.153	8	110.8941	0.770	10	110.9414	0.718	11	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:4:2:4:	4:3:3:1:	3:4:	C[5]-3:C-4:N[5]-2:C-4:	C[5]-4:C[6a]-3:N-3:H-1:	C[5]-3:C[5]-4:	C[5](C[5]O[5]O)(CC[6a]HN)(N[5]C[5])(CH3)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NHS)(H)	N[5](C[5]C[6a]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]O)(CC[6a]HN)(N[5]C[5])(CH3){1|C<3>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NHS)(H)	N[5](C[5]C[6a]O[5])(C[5]C[5]CC){1|O<1>,2|C<3>}	110.9680	0.000	1	110.9680	0.000	1	110.8941	0.770	10	110.9414	0.718	11	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:4:2:4:	4:3:3:1:	3:4:	C[5]-3:C-4:N[5]-2:C-4:	C[5]-4:C[6a]-3:N-3:H-1:	C[5]-3:C[5]-4:	C[5](C[5]O[5]O)(CC[6a]HN)(N[5]C[5])(CH3)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NP[5]H)(H)	N[5](C[5]C[5a]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]O)(CC[6a]HN)(N[5]C[5])(CH3){1|C<3>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NP[5]H)(H)	N[5](C[5]C[5a]O[5])(C[5]C[5]CC){1|C<3>,1|O<1>,1|O<2>}	113.1670	0.000	1	113.1670	0.000	1	110.8941	0.770	10	110.9414	0.718	11	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:4:2:4:	4:3:3:1:	4:3:	C[5]-3:C-4:N[5]-2:C-4:	C[5]-4:C[6a]-3:N-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]S[5]O)(CC[6a]HN)(N[5]C[5])(CCCH)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NHS)(H)	N[5](C[5]C[5]CC)(C[5]S[5]S)	C[5](C[5]S[5]O)(CC[6a]HN)(N[5]C[5])(CCCH){1|S<2>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NHS)(H)	N[5](C[5]C[5]CC)(C[5]S[5]S){1|O<1>}	106.7190	0.000	1	106.7190	0.000	1	106.7190	0.000	1	106.7190	0.000	1	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:4:2:4:	4:4:3:1:	4:3:	C[5]-3:C-4:N[5]-2:C-4:	C[5]-4:C-4:C-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]O[5]O)(CC[6a]HH)(N[5]C[5])(CCCH)	C(C[5]C[5]N[5]C)(CCHH)(CCH)(H)	N[5](C[5]C[5]CC)(C[5]O[5]C)	C[5](C[5]O[5]O)(CC[6a]HH)(N[5]C[5])(CCCH){1|C<4>}	C(C[5]C[5]N[5]C)(CCHH)(CCH)(H)	N[5](C[5]C[5]CC)(C[5]O[5]C){1|O<1>}	112.5685	0.657	2	112.5685	0.432	2	112.5685	0.432	2	112.5685	0.432	2	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:4:2:4:	4:4:4:1:	3:4:	C[5]-3:C-4:N[5]-2:C-4:	C[5]-4:C-4:C-4:H-1:	C[5]-3:C[5]-4:	C[5](C[5]O[5]O)(CC[6a]CH)(N[5]C[5])(CCCH)	C(C[5]C[5]N[5]C)(CH3)2(H)	N[5](C[5]C[6a]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]O)(CC[6a]CH)(N[5]C[5])(CCCH){1|C<3>}	C(C[5]C[5]N[5]C)(CH3)2(H)	N[5](C[5]C[6a]O[5])(C[5]C[5]CC){1|O<1>,2|C<3>}	110.2680	0.000	1	110.2680	0.000	1	109.3827	0.505	9	109.3827	0.505	9	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:4:2:4:	4:4:4:1:	3:4:	C[5]-3:C-4:N[5]-2:C-4:	C[5]-4:C-4:C-4:H-1:	C[5]-3:C[5]-4:	C[5](C[5]O[5]O)(CC[6a]HN)(N[5]C[5])(CCCH)	C(C[5]C[5]N[5]C)(CH3)2(H)	N[5](C[5]C[6a]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]O)(CC[6a]HN)(N[5]C[5])(CCCH){1|C<3>}	C(C[5]C[5]N[5]C)(CH3)2(H)	N[5](C[5]C[6a]O[5])(C[5]C[5]CC){1|O<1>,2|C<3>}	109.2720	0.672	8	109.2720	0.452	8	109.3827	0.505	9	109.3827	0.505	9	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:4:2:4:	4:4:4:1:	4:3:	C[5]-3:C-4:N[5]-2:C-4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]S[5]O)(CC[6a]HN)(N[5]C[5])(CCCH)	C(C[5]C[5]N[5]C)(CH3)2(H)	N[5](C[5]C[5]CC)(C[5]S[5]S)	C[5](C[5]S[5]O)(CC[6a]HN)(N[5]C[5])(CCCH){1|S<2>}	C(C[5]C[5]N[5]C)(CH3)2(H)	N[5](C[5]C[5]CC)(C[5]S[5]S){1|O<1>}	109.5100	0.000	1	109.5100	0.000	1	109.5100	0.000	1	109.5100	0.000	1	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:4:4:2:	4:3:1:1:	3:4:	C[5]-3:C-4:C-4:N[5]-2:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]O[5]O)(CC[6a]CH)(CC[6a]HH)(N[5]C[5])	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	N[5](C[5]C[6a]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]O)(CC[6a]CH)(CC[6a]HH)(N[5]C[5]){1|C<3>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	N[5](C[5]C[6a]O[5])(C[5]C[5]CC){1|O<1>,2|C<3>}	111.4860	0.051	2	111.4860	0.003	2	111.4860	0.003	2	111.4860	0.003	2	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:4:4:2:	4:3:1:1:	4:3:	C[5]-3:C-4:C-4:N[5]-2:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(CC[6a]HH)(CC[6a]HO)(N[5]C[5])	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]CC)(C[5]N[5]N)	C[5](C[5]N[5]O)(CC[6a]HH)(CC[6a]HO)(N[5]C[5]){1|C<4>,1|N<3>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]CC)(C[5]N[5]N){1|C<4>,1|O<1>}	112.8290	0.000	1	112.8290	0.000	1	112.0560	1.807	4	112.0560	1.807	4	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:4:4:2:	4:3:1:1:	4:3:	C[5]-3:C-4:C-4:N[5]-2:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(CC[6a]HH)2(N[5]C[5])	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]CC)(C[5]N[5]N)	C[5](C[5]N[5]O)(CC[6a]HH)2(N[5]C[5]){1|C<3>,1|N<3>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]CC)(C[5]N[5]N){1|C<3>,1|O<1>}	112.6685	0.285	2	112.6685	0.081	2	112.0560	1.807	4	112.0560	1.807	4	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:4:4:2:	4:3:1:1:	4:3:	C[5]-3:C-4:C-4:N[5]-2:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]S[5]O)(CC[6a]CH)(CC[6a]HH)(N[5]C[5])	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]CC)(C[5]S[5]O)	C[5](C[5]S[5]O)(CC[6a]CH)(CC[6a]HH)(N[5]C[5]){1|O<2>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]CC)(C[5]S[5]O){1|O<1>}	110.0580	0.000	1	110.0580	0.000	1	112.0560	1.807	4	112.0560	1.807	4	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:4:4:2:	4:3:2:1:	4:3:	C[5]-3:C-4:C-4:N[5]-2:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(CC[6a]HH)(CC[6a]HO)(N[5]C[5])	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OC)(H)	N[5](C[5]C[5]CC)(C[5]N[5]N)	C[5](C[5]N[5]O)(CC[6a]HH)(CC[6a]HO)(N[5]C[5]){1|C<4>,1|N<3>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OC)(H)	N[5](C[5]C[5]CC)(C[5]N[5]N){1|C<4>,1|O<1>}	111.4620	0.000	1	111.4620	0.000	1	111.4620	0.000	1	111.4620	0.000	1	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:4:4:2:	4:3:4:1:	3:4:	C[5]-3:C-4:C-4:N[5]-2:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-3:C[5]-4:	C[5](C[5]O[5]O)(CC[6a]CH)(CC[6a]HH)(N[5]C[5])	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CCHH)(H)	N[5](C[5]C[6a]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]O)(CC[6a]CH)(CC[6a]HH)(N[5]C[5]){1|C<3>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CCHH)(H)	N[5](C[5]C[6a]O[5])(C[5]C[5]CC){1|O<1>,2|C<3>}	112.2570	0.041	2	112.2570	0.002	2	112.2570	0.002	2	112.2570	0.002	2	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	3:4:4:2:	4:3:4:1:	4:3:	C[5]-3:C-4:C-4:N[5]-2:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]S[5]O)(CC[6a]CH)(CC[6a]HH)(N[5]C[5])	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CCHH)(H)	N[5](C[5]C[5]CC)(C[5]S[5]O)	C[5](C[5]S[5]O)(CC[6a]CH)(CC[6a]HH)(N[5]C[5]){1|O<2>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CCHH)(H)	N[5](C[5]C[5]CC)(C[5]S[5]O){1|O<1>}	109.8890	0.000	1	109.8890	0.000	1	109.8890	0.000	1	109.8890	0.000	1	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:2:4:	4:4:4:4:	4:3:	C[5]-4:N[5]-2:O[5]-2:C-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]2H)(N[5]C[5])(O[5]C[5])(CC3)	C(C[5]C[5]N[5]O[5])(CH3)3	N[5](C[5]C[5]O[5]C)(C[5]C[5]C)	C[5](C[5]C[5]2H)(N[5]C[5])(O[5]C[5])(CC3){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C(C[5]C[5]N[5]O[5])(CH3)3	N[5](C[5]C[5]O[5]C)(C[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	111.8510	0.000	1	111.8510	0.000	1	111.8510	0.000	1	111.8510	0.000	1	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:3:4:	4:1:1:1:	4:3:	C[5]-4:N[5]-2:C-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(CN[5]O)(CH3)	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[5]CC)(C[5]O[5]O)	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(CN[5]O)(CH3){1|O<1>,2|C<3>}	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[5]CC)(C[5]O[5]O){1|C<3>,1|H<1>}	113.6710	0.000	1	113.6710	0.000	1	113.6710	0.000	1	113.6710	0.000	1	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:1:	4:1:1:1:	3:4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5])(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	N[5](C[5]C[5]O[5])(C[5]C[5]CH)	C[5](C[5]O[5]HH)(N[5]C[5])(CH3)(H){1|C<3>}	C(C[5]C[5]N[5]H)(H)3	N[5](C[5]C[5]O[5])(C[5]C[5]CH){1|C<3>,1|S<2>,2|H<1>}	112.2115	0.878	2	111.2907	2.929	3	110.6539	3.420	7	110.6539	3.420	7	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:1:	4:1:1:1:	3:4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5])(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	N[5](C[5]C[5]O[5])(C[5]C[5]CH)	C[5](C[5]O[5]HH)(N[5]C[5])(CH3)(H){1|C<4>}	C(C[5]C[5]N[5]H)(H)3	N[5](C[5]C[5]O[5])(C[5]C[5]CH){1|Fe<10>,2|C<4>,2|H<1>}	109.4490	0.000	1	111.2907	2.929	3	110.6539	3.420	7	110.6539	3.420	7	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:1:	4:1:1:1:	3:4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5])(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	N[5](C[5]C[6a]O[5])(C[5]C[5]CH)	C[5](C[5]O[5]HH)(N[5]C[5])(CH3)(H){1|C<3>}	C(C[5]C[5]N[5]H)(H)3	N[5](C[5]C[6a]O[5])(C[5]C[5]CH){2|C<3>,2|H<1>}	111.9445	0.013	2	111.9445	0.000	2	110.6539	3.420	7	110.6539	3.420	7	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:1:	4:1:1:1:	3:4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5])(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	N[5](C[5]C[5]S[5])(C[5]C[5]CH)	C[5](C[5]S[5]HH)(N[5]C[5])(CH3)(H){1|C<4>}	C(C[5]C[5]N[5]H)(H)3	N[5](C[5]C[5]S[5])(C[5]C[5]CH){1|Fe<10>,2|C<4>,2|H<1>}	108.4080	0.165	2	108.4080	0.027	2	110.6539	3.420	7	110.6539	3.420	7	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:1:	4:1:1:1:	4:2:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:N[5]-2:	C[5](C[5]N[5]CH)(N[5]N[5])(CF3)(H)	C(C[5]C[5]N[5]H)(F)3	N[5](C[5]C[5]CH)(N[5]N[5])	C[5](C[5]N[5]CH)(N[5]N[5])(CF3)(H){1|C<3>}	C(C[5]C[5]N[5]H)(F)3	N[5](C[5]C[5]CH)(N[5]N[5]){1|H<1>,2|C<3>}	108.8130	0.000	1	108.8130	0.000	1	108.8130	0.000	1	108.5877	0.041	3	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:1:	4:1:1:1:	4:2:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:F-1:F-1:H-1:	C[5]-4:N[5]-2:	C[5](C[5]C[5,5]CH)(N[5]N[5])(CFFH)(H)	C(C[5]C[5]N[5]H)(F)2(H)	N[5](C[5]C[5]CH)(N[5]C[5,5])	C[5](C[5]C[5,5]CH)(N[5]N[5])(CFFH)(H){2|C<3>}	C(C[5]C[5]N[5]H)(F)2(H)	N[5](C[5]C[5]CH)(N[5]C[5,5]){1|H<1>,3|C<3>}	108.4750	0.076	2	108.4750	0.006	2	108.4750	0.006	2	108.5877	0.041	3	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:1:	4:1:1:1:	4:3:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(CF3)(H)	C(C[5]C[5]N[5]H)(F)3	N[5](C[5]C[5]CH)(C[5]O[5]C)	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(CF3)(H){1|C<4>,2|C<3>}	C(C[5]C[5]N[5]H)(F)3	N[5](C[5]C[5]CH)(C[5]O[5]C){1|C<3>,1|H<1>}	110.6040	0.000	1	110.6040	0.000	1	110.6040	0.000	1	110.2104	0.824	5	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:1:	4:1:1:1:	4:3:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	N[5](C[5]C[5]CH)(C[5]O[5]S)	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(CH3)(H){1|S<1>,2|C<3>}	C(C[5]C[5]N[5]H)(H)3	N[5](C[5]C[5]CH)(C[5]O[5]S){1|C<3>,1|H<1>}	110.4590	0.000	1	110.4590	0.000	1	110.1120	1.034	4	110.2104	0.824	5	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:1:	4:1:1:1:	4:3:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(N[5]C[5])(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	N[5](C[5]C[5]CH)(C[5]N[5]C)	C[5](C[5]N[5]HH)(N[5]C[5])(CH3)(H){1|C<4>,1|N<3>}	C(C[5]C[5]N[5]H)(H)3	N[5](C[5]C[5]CH)(C[5]N[5]C){1|N<3>,2|H<1>}	109.9065	1.701	2	109.9065	2.892	2	110.1120	1.034	4	110.2104	0.824	5	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:1:	4:1:1:1:	4:3:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]O[5]CH)(N[5]C[5])(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	N[5](C[5]C[5]CH)(C[5]O[5]O)	C[5](C[5]O[5]CH)(N[5]C[5])(CH3)(H){1|O<2>}	C(C[5]C[5]N[5]H)(H)3	N[5](C[5]C[5]CH)(C[5]O[5]O){1|C<3>,1|H<1>}	110.1760	0.000	1	110.1760	0.000	1	110.1120	1.034	4	110.2104	0.824	5	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5])(CF3)(H)	C(C[5]C[5]N[5]H)(F)3	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CH)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5])(CF3)(H){1|O<2>,5|C<3>}	C(C[5]C[5]N[5]H)(F)3	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CH){1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	110.1740	0.000	1	110.5853	0.228	4	110.5853	0.228	4	110.0798	0.821	6	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5])(CF3)(H)	C(C[5]C[5]N[5]H)(F)3	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CH)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5])(CF3)(H){6|C<3>}	C(C[5]C[5]N[5]H)(F)3	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CH){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	110.7223	0.479	3	110.5853	0.228	4	110.5853	0.228	4	110.0798	0.821	6	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5])(CF3)(H)	C(C[5]C[5]N[5]H)(F)3	N[5](C[5]C[5,5]CC)(C[5]C[5]CH)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5])(CF3)(H){1|S<2>,5|C<3>}	C(C[5]C[5]N[5]H)(F)3	N[5](C[5]C[5,5]CC)(C[5]C[5]CH){1|H<1>,1|S<2>,2|C<3>}	108.6490	0.000	1	108.6490	0.000	1	109.0690	0.353	2	110.0798	0.821	6	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]C[5]H)(N[5]C[5])(CF3)(H)	C(C[5]C[5]N[5]H)(F)3	N[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[6a]C[5]H)(N[5]C[5])(CF3)(H){1|H<1>,5|C<3>}	C(C[5]C[5]N[5]H)(F)3	N[5](C[5]C[5]CC)(C[5]C[5]CH){2|C<3>,2|H<1>}	109.4890	0.000	1	109.4890	0.000	1	109.0690	0.353	2	110.0798	0.821	6	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:1:	4:2:1:1:	3:4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(CHHO)(H)	C(C[5]C[5]N[5]H)(OH)(H)2	N[5](C[5]C[6a]O[5])(C[5]C[5]CH)	C[5](C[5]C[6a]O[5]H)(N[5]C[5])(CHHO)(H){3|C<3>}	C(C[5]C[5]N[5]H)(OH)(H)2	N[5](C[5]C[6a]O[5])(C[5]C[5]CH){1|H<1>,3|C<3>}	111.4600	0.000	1	111.4600	0.000	1	110.6530	1.171	5	110.6530	1.171	5	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:1:	4:2:1:1:	3:4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5])(CHHO)(H)	C(C[5]C[5]N[5]H)(OH)(H)2	N[5](C[5]C[5]O[5])(C[5]C[5]CH)	C[5](C[5]O[5]HH)(N[5]C[5])(CHHO)(H){1|C<4>}	C(C[5]C[5]N[5]H)(OH)(H)2	N[5](C[5]C[5]O[5])(C[5]C[5]CH){1|Fe<10>,2|C<4>,2|H<1>}	110.5170	0.000	1	110.5170	0.000	1	110.6530	1.171	5	110.6530	1.171	5	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:1:	4:2:1:1:	3:4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5])(CHHO)(H)	C(C[5]C[5]N[5]H)(OH)(H)2	N[5](C[5]C[6a]O[5])(C[5]C[5]CH)	C[5](C[5]O[5]HH)(N[5]C[5])(CHHO)(H){1|C<3>}	C(C[5]C[5]N[5]H)(OH)(H)2	N[5](C[5]C[6a]O[5])(C[5]C[5]CH){2|C<3>,2|H<1>}	110.4293	1.390	3	110.4293	1.931	3	110.6530	1.171	5	110.6530	1.171	5	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:1:	4:2:1:1:	4:3:	C[5,5]-4:N[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5])(CHHO)(H)	C(C[5]C[5,5]N[5]H)(OH)(H)2	N[5](C[5]C[5,5]CH)(C[5]C[5,5]C)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5])(CHHO)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5,5]N[5]H)(OH)(H)2	N[5](C[5]C[5,5]CH)(C[5]C[5,5]C){2|H<1>,2|O<2>}	109.8680	0.000	1	109.8680	0.000	1	109.8680	0.000	1	109.8680	0.000	1	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:1:	4:3:1:1:	3:4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,5]-3:C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5,5])(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]N[5])(C[5]C[5]CH)	C[5](C[5]C[5,5]HH)(N[5]C[5,5])(CC[6a]HH)(H){1|C<2>,1|C<4>,1|N<2>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]N[5])(C[5]C[5]CH){1|C<2>,2|C<4>,2|H<1>}	111.5710	0.000	1	111.5710	0.000	1	111.5710	0.000	1	111.0555	0.531	2	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:1:	4:3:1:1:	3:4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6])(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]N[6])(C[5]C[5]CH)	C[5](C[5]C[5,6]HH)(N[5]C[5,6])(CC[6a]HH)(H){1|C<2>,1|C<4>,1|N<3>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]N[6])(C[5]C[5]CH){1|C<2>,2|C<4>,3|H<1>}	110.5400	0.000	1	110.5400	0.000	1	110.5400	0.000	1	111.0555	0.531	2	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:1:	4:3:1:1:	4:2:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-2:	C[5](C[5]C[6a]C[5]H)(N[5]N[5])(CCHH)(H)	C(C[5]C[5]N[5]H)(CCC)(H)2	N[5](C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[6a]C[5]H)(N[5]N[5])(CCHH)(H){2|C<3>,2|H<1>}	C(C[5]C[5]N[5]H)(CCC)(H)2	N[5](C[5]C[5]CH)(N[5]C[5]){1|C<3>,3|H<1>}	111.3045	2.650	2	111.3045	7.020	2	111.3045	7.020	2	111.3045	7.020	2	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:1:	4:4:1:1:	3:4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5])(CCHH)(H)	C(C[5]C[5]N[5]H)(CCCH)(H)2	N[5](C[5]C[6a]O[5])(C[5]C[5]CH)	C[5](C[5]O[5]HH)(N[5]C[5])(CCHH)(H){1|C<3>}	C(C[5]C[5]N[5]H)(CCCH)(H)2	N[5](C[5]C[6a]O[5])(C[5]C[5]CH){1|C<3>,1|N<2>,2|H<1>}	112.2730	0.000	1	112.2730	0.000	1	112.2730	0.000	1	112.2730	0.000	1	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:1:	4:4:1:1:	4:3:	C[5,6]-4:N[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5])(CC[5]HH)(H)	C(C[5]C[5,6a]C[5]C[6])(C[5]C[5,6]N[5]H)(H)2	N[5](C[5]C[5,6]CH)(C[5]C[5,6]C)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5])(CC[5]HH)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C(C[5]C[5,6a]C[5]C[6])(C[5]C[5,6]N[5]H)(H)2	N[5](C[5]C[5,6]CH)(C[5]C[5,6]C){2|C<4>,2|H<1>}	110.6127	0.271	3	110.6127	0.073	3	110.6127	0.073	3	110.6127	0.073	3	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:1:	4:4:4:1:	3:4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5])(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]CH)	C[5](C[5]N[5]HH)(N[5]C[5])(CCCH)(H){2|C<3>}	C(C[5]C[5]N[5]H)(CH3)2(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]CH){1|N<2>,2|C<3>,2|H<1>}	110.9975	1.128	2	110.9975	1.272	2	112.1762	1.272	56	112.1762	1.272	56	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:1:	4:4:4:1:	3:4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-3:C[5]-4:	C[5](C[5]O[5]CC)(N[5]C[5])(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	N[5](C[5]C[5]O[5])(C[5]C[5]CH)	C[5](C[5]O[5]CC)(N[5]C[5])(CCCH)(H){1|C<4>}	C(C[5]C[5]N[5]H)(CH3)2(H)	N[5](C[5]C[5]O[5])(C[5]C[5]CH){1|Fe<10>,4|C<4>}	111.6197	1.349	3	111.6197	1.819	3	112.1762	1.272	56	112.1762	1.272	56	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:1:	4:4:4:1:	3:4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-3:C[5]-4:	C[5](C[5]O[5]CC)(N[5]C[5])(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	N[5](C[5]C[6a]O[5])(C[5]C[5]CH)	C[5](C[5]O[5]CC)(N[5]C[5])(CCCH)(H){1|C<3>}	C(C[5]C[5]N[5]H)(CH3)2(H)	N[5](C[5]C[6a]O[5])(C[5]C[5]CH){2|C<3>,2|C<4>}	111.3610	0.985	6	111.3610	0.969	6	112.1762	1.272	56	112.1762	1.272	56	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:1:	4:4:4:1:	3:4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-3:C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5])(CCCH)(H)	C(C[5]C[5]N[5]H)(CCHH)2(H)	N[5](C[5]C[5]O[5])(C[5]C[5]CH)	C[5](C[5]O[5]HH)(N[5]C[5])(CCCH)(H){1|C<3>}	C(C[5]C[5]N[5]H)(CCHH)2(H)	N[5](C[5]C[5]O[5])(C[5]C[5]CH){1|N<2>,1|O<2>,2|H<1>}	113.0297	0.300	6	113.0297	0.090	6	112.1762	1.272	56	112.1762	1.272	56	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:1:	4:4:4:1:	3:4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-3:C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5])(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	N[5](C[5]C[4]O[5])(C[5]C[5]CH)	C[5](C[5]O[5]HH)(N[5]C[5])(CCCH)(H){1|C<4>}	C(C[5]C[5]N[5]H)(CH3)2(H)	N[5](C[5]C[4]O[5])(C[5]C[5]CH){1|O<2>,2|C<4>,2|H<1>}	110.8880	0.000	1	110.8880	0.000	1	112.1762	1.272	56	112.1762	1.272	56	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:1:	4:4:4:1:	3:4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-3:C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5])(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	N[5](C[5]C[5]O[5])(C[5]C[5]CH)	C[5](C[5]O[5]HH)(N[5]C[5])(CCCH)(H){1|C<4>}	C(C[5]C[5]N[5]H)(CH3)2(H)	N[5](C[5]C[5]O[5])(C[5]C[5]CH){1|Co<9>,2|C<4>,2|H<1>}	112.8588	1.210	4	112.2279	1.434	17	112.1762	1.272	56	112.1762	1.272	56	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:1:	4:4:4:1:	3:4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-3:C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5])(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	N[5](C[5]C[5]O[5])(C[5]C[5]CH)	C[5](C[5]O[5]HH)(N[5]C[5])(CCCH)(H){1|C<4>}	C(C[5]C[5]N[5]H)(CH3)2(H)	N[5](C[5]C[5]O[5])(C[5]C[5]CH){1|Fe<10>,2|C<4>,2|H<1>}	112.0338	1.171	13	112.2279	1.434	17	112.1762	1.272	56	112.1762	1.272	56	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:1:	4:4:4:1:	3:4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-3:C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5])(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	N[5](C[5]C[6a]O[5])(C[5]C[5]CH)	C[5](C[5]O[5]HH)(N[5]C[5])(CCCH)(H){1|C<3>}	C(C[5]C[5]N[5]H)(CH3)2(H)	N[5](C[5]C[6a]O[5])(C[5]C[5]CH){1|C<3>,1|N<2>,2|H<1>}	111.9790	1.782	2	112.3764	1.110	21	112.1762	1.272	56	112.1762	1.272	56	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:1:	4:4:4:1:	3:4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-3:C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5])(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	N[5](C[5]C[6a]O[5])(C[5]C[5]CH)	C[5](C[5]O[5]HH)(N[5]C[5])(CCCH)(H){1|C<3>}	C(C[5]C[5]N[5]H)(CH3)2(H)	N[5](C[5]C[6a]O[5])(C[5]C[5]CH){2|C<3>,2|H<1>}	112.4183	1.018	19	112.3764	1.110	21	112.1762	1.272	56	112.1762	1.272	56	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:1:	4:4:4:1:	4:3:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]O[5]CC)(N[5]C[5])(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	N[5](C[5]C[5]CH)(C[5]O[5]B)	C[5](C[5]O[5]CC)(N[5]C[5])(CCCH)(H){1|B<4>}	C(C[5]C[5]N[5]H)(CH3)2(H)	N[5](C[5]C[5]CH)(C[5]O[5]B){2|C<4>}	112.0867	0.951	3	112.0867	0.904	3	111.5976	1.172	9	111.5976	1.172	9	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:1:	4:4:4:1:	4:3:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]O[5]HH)(N[5]C[5])(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	N[5](C[5]C[5]CH)(C[5]O[5]C)	C[5](C[5]O[5]HH)(N[5]C[5])(CCCH)(H){1|C<3>}	C(C[5]C[5]N[5]H)(CH3)2(H)	N[5](C[5]C[5]CH)(C[5]O[5]C){2|H<1>}	112.1515	0.210	2	111.3530	1.299	6	111.5976	1.172	9	111.5976	1.172	9	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:1:	4:4:4:1:	4:3:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]O[5]HH)(N[5]C[5])(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	N[5](C[5]C[5]CH)(C[5]O[5]C)	C[5](C[5]O[5]HH)(N[5]C[5])(CCCH)(H){1|C<4>}	C(C[5]C[5]N[5]H)(CH3)2(H)	N[5](C[5]C[5]CH)(C[5]O[5]C){2|H<1>}	110.9537	1.230	4	111.3530	1.299	6	111.5976	1.172	9	111.5976	1.172	9	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:1:	4:4:4:4:	3:4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-3:C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5])(CC3)(H)	C(C[5]C[5]N[5]H)(CH3)3	N[5](C[5]C[5]O[5])(C[5]C[5]CH)	C[5](C[5]O[5]HH)(N[5]C[5])(CC3)(H){1|C<4>}	C(C[5]C[5]N[5]H)(CH3)3	N[5](C[5]C[5]O[5])(C[5]C[5]CH){1|Fe<10>,2|C<4>,2|H<1>}	111.4260	0.000	1	111.4260	0.000	1	112.1296	1.266	5	112.1296	1.266	5	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:1:	4:4:4:4:	3:4:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-3:C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5])(CC3)(H)	C(C[5]C[5]N[5]H)(CH3)3	N[5](C[5]C[6a]O[5])(C[5]C[5]CH)	C[5](C[5]O[5]HH)(N[5]C[5])(CC3)(H){1|C<3>}	C(C[5]C[5]N[5]H)(CH3)3	N[5](C[5]C[6a]O[5])(C[5]C[5]CH){2|C<3>,2|H<1>}	112.3055	1.218	4	112.3055	1.482	4	112.1296	1.266	5	112.1296	1.266	5	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:1:	4:4:4:4:	4:3:	C[5]-4:N[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-3:	C[5](C[5]O[5]HH)(N[5]C[5])(CC3)(H)	C(C[5]C[5]N[5]H)(CH3)3	N[5](C[5]C[5]CH)(C[5]O[5]C)	C[5](C[5]O[5]HH)(N[5]C[5])(CC3)(H){1|C<4>}	C(C[5]C[5]N[5]H)(CH3)3	N[5](C[5]C[5]CH)(C[5]O[5]C){2|H<1>}	111.5575	0.602	2	111.5575	0.362	2	111.5575	0.362	2	111.5575	0.362	2	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:2:	4:1:1:1:	3:4:	C[5]-4:N[5]-2:C-4:O-2:	C[5]-4:F-1:F-1:F-1:	C[5]-3:C[5]-4:	C[5](C[5]O[5]CH)(N[5]C[5])(CF3)(OH)	C(C[5]C[5]N[5]O)(F)3	N[5](C[5]C[6a]O[5])(C[5]C[5]CO)	C[5](C[5]O[5]CH)(N[5]C[5])(CF3)(OH){1|C<3>}	C(C[5]C[5]N[5]O)(F)3	N[5](C[5]C[6a]O[5])(C[5]C[5]CO){1|H<1>,3|C<3>}	108.5800	0.018	2	108.5800	0.000	2	107.9960	1.023	3	108.4093	0.724	7	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:2:	4:1:1:1:	3:4:	C[5]-4:N[5]-2:C-4:O-2:	C[5]-4:F-1:F-1:F-1:	C[5]-3:C[5]-4:	C[5](C[5]S[5]CH)(N[5]C[5])(CF3)(OH)	C(C[5]C[5]N[5]O)(F)3	N[5](C[5]C[6a]S[5])(C[5]C[5]CO)	C[5](C[5]S[5]CH)(N[5]C[5])(CF3)(OH){1|C<3>}	C(C[5]C[5]N[5]O)(F)3	N[5](C[5]C[6a]S[5])(C[5]C[5]CO){1|H<1>,3|C<3>}	106.8280	0.000	1	106.8280	0.000	1	107.9960	1.023	3	108.4093	0.724	7	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:2:	4:1:1:1:	3:4:	C[5]-4:N[5]-2:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5,6])(CH3)(OH)	C(C[5]C[5]N[5]O)(H)3	N[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]CO)	C[5](C[5]C[5,6]HH)(N[5]C[5,6])(CH3)(OH){1|C<3>,1|C<4>,1|O<2>}	C(C[5]C[5]N[5]O)(H)3	N[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]CO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	108.6710	0.673	2	108.6710	0.453	2	108.6710	0.453	2	108.4093	0.724	7	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:2:	4:1:1:1:	3:4:	C[5]-4:N[5]-2:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5,5]HH)(N[5]C[5])(CH3)(OH)	C(C[5]C[5]N[5]O)(H)3	N[5](C[5]C[5,5]C)(C[5]C[5]CO)	C[5](C[5]C[5,5]HH)(N[5]C[5])(CH3)(OH){1|C<3>,2|C<4>}	C(C[5]C[5]N[5]O)(H)3	N[5](C[5]C[5,5]C)(C[5]C[5]CO){1|C<3>,1|C<4>,2|H<1>}	108.0820	0.000	1	108.0820	0.000	1	108.0820	0.000	1	108.4093	0.724	7	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:2:	4:1:1:1:	3:4:	C[5]-4:N[5]-2:C-4:O-2:	C[5]-4:H-1:I-1:I-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]HH)(N[5]C[5])(CHII)(OH)	C(C[5]C[5]N[5]O)(H)(I)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CO)	C[5](C[5]N[5]HH)(N[5]C[5])(CHII)(OH){1|C<3>,1|S<4>}	C(C[5]C[5]N[5]O)(H)(I)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CO){1|S<4>,2|C<3>,2|H<1>}	109.4530	0.000	1	109.4530	0.000	1	109.4530	0.000	1	108.4093	0.724	7	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:3:	4:1:1:1:	3:4:	C[5,5]-4:N[5]-2:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5])(CH3)(COO)	C(C[5]C[5,5]N[5]C)(H)3	N[5](C[5]C[5,5]C[6a])(C[5]C[5,5]CC)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5])(CH3)(COO){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[5]C[5,5]N[5]C)(H)3	N[5](C[5]C[5,5]C[6a])(C[5]C[5,5]CC){2|H<1>,4|C<3>}	108.8370	0.000	1	108.8370	0.000	1	108.8370	0.000	1	108.4613	0.468	3	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:3:	4:1:1:1:	3:4:	C[5]-4:N[5]-2:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5]CH)(N[5]C[5])(CH3)(COO)	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[6a]C[5])(C[5]C[5]CC)	C[5](C[5]C[5]CH)(N[5]C[5])(CH3)(COO){1|H<1>,2|C<3>}	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[6a]C[5])(C[5]C[5]CC){2|H<1>,4|C<3>}	108.8750	0.000	1	108.8750	0.000	1	108.2735	0.724	2	108.4613	0.468	3	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:3:	4:1:1:1:	3:4:	C[5]-4:N[5]-2:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5])(CH3)(CCH)	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[6a]C[5])(C[5]C[5]CC)	C[5](C[5]C[5]HH)(N[5]C[5])(CH3)(CCH){1|C<3>,2|H<1>}	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[6a]C[5])(C[5]C[5]CC){2|C<3>,4|H<1>}	107.6720	0.000	1	107.6720	0.000	1	108.2735	0.724	2	108.4613	0.468	3	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:3:	4:1:1:1:	4:3:	C[5,6]-4:N[5]-2:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6]C[6,6a]C[6]O[5])(N[5]C[5])(CH3)(COO)	C(C[5]C[5,6]N[5]C)(H)3	N[5](C[5]C[5,6]CC)(C[5]O[5]C)	C[5](C[5,6]C[6,6a]C[6]O[5])(N[5]C[5])(CH3)(COO){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C(C[5]C[5,6]N[5]C)(H)3	N[5](C[5]C[5,6]CC)(C[5]O[5]C){2|C<3>}	108.7670	0.270	5	108.7670	0.073	5	108.7670	0.073	5	108.7670	0.073	5	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:3:	4:1:1:1:	4:4:	C[5]-4:N[5]-2:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5])(CH3)(COO)	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)	C[5](C[5]C[5]HH)(N[5]C[5])(CH3)(COO){1|C<2>,1|H<1>,2|C<3>}	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){1|C<2>,2|H<1>,3|C<3>}	109.8270	0.000	1	109.8270	0.000	1	109.8270	0.000	1	109.8270	0.000	1	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:3:	4:2:1:1:	4:3:	C[5,5]-4:N[5]-2:C-4:C-3:	C[5]-4:S-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5])(CHHS)(COO)	C(C[5]C[5,5]N[5]C)(SC)(H)2	N[5](C[5]C[5,5]CC)(C[5]C[5,5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5])(CHHS)(COO){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C(C[5]C[5,5]N[5]C)(SC)(H)2	N[5](C[5]C[5,5]CC)(C[5]C[5,5]H){2|C<3>,2|H<1>}	108.8100	0.000	1	108.8100	0.000	1	108.8100	0.000	1	108.8100	0.000	1	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:3:	4:3:1:1:	3:4:	C[5]-4:N[5]-2:C-4:C-3:	C[5]-4:C-3:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5])(CCHH)(COO)	C(C[5]C[5]N[5]C)(CCH)(H)2	N[5](C[5]C[6a]S[5])(C[5]C[5]CC)	C[5](C[5]S[5]HH)(N[5]C[5])(CCHH)(COO){1|C<3>}	C(C[5]C[5]N[5]C)(CCH)(H)2	N[5](C[5]C[6a]S[5])(C[5]C[5]CC){2|C<3>,2|H<1>}	107.2160	0.000	1	107.2160	0.000	1	107.2160	0.000	1	107.2160	0.000	1	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:3:	4:3:1:1:	4:2:	C[5]-4:N[5]-2:C-4:C-3:	C[5]-4:N-3:H-1:H-1:	C[5]-4:N[5]-2:	C[5](C[5]C[5]HH)(N[5]N[5])(CHHN)(COO)	C(C[5]C[5]N[5]C)(NC[6a]C)(H)2	N[5](C[5]C[5]CC)(N[5]C[5])	C[5](C[5]C[5]HH)(N[5]N[5])(CHHN)(COO){2|H<1>}	C(C[5]C[5]N[5]C)(NC[6a]C)(H)2	N[5](C[5]C[5]CC)(N[5]C[5]){4|H<1>}	110.0030	0.000	1	110.0030	0.000	1	110.0030	0.000	1	110.0030	0.000	1	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:3:	4:4:1:1:	4:3:	C[5,6]-4:N[5]-2:C-4:C-3:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6]C[6,6a]C[6]O[5])(N[5]C[5])(CCHH)(COO)	C(C[5]C[5,6]N[5]C)(CCCH)(H)2	N[5](C[5]C[5,6]CC)(C[5]O[5]C)	C[5](C[5,6]C[6,6a]C[6]O[5])(N[5]C[5])(CCHH)(COO){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C(C[5]C[5,6]N[5]C)(CCCH)(H)2	N[5](C[5]C[5,6]CC)(C[5]O[5]C){2|C<3>}	110.4770	0.000	1	110.4770	0.000	1	110.4770	0.000	1	110.4770	0.000	1	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:3:	4:4:4:1:	3:4:	C[5]-4:N[5]-2:C-4:C-3:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5])(CC[5]CH)(COO)	C(C[5]C[5]N[5]C)(C[5]C[5]2Fe)(CCHH)(H)	N[5](C[5]C[6a]C[5])(C[5]C[5]CC)	C[5](C[5]C[5]HH)(N[5]C[5])(CC[5]CH)(COO){1|C<3>,2|H<1>}	C(C[5]C[5]N[5]C)(C[5]C[5]2Fe)(CCHH)(H)	N[5](C[5]C[6a]C[5])(C[5]C[5]CC){2|C<3>,4|H<1>}	111.8480	0.000	1	111.8480	0.000	1	109.0032	3.553	5	109.0032	3.553	5	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:3:	4:4:4:1:	3:4:	C[5]-4:N[5]-2:C-4:C-3:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5])(CC[5]CH)(COO)	C(C[5]C[5]N[5]C)(C[5]C[5]2Fe)(CHHN)(H)	N[5](C[5]C[6a]C[5])(C[5]C[5]CC)	C[5](C[5]C[5]HH)(N[5]C[5])(CC[5]CH)(COO){1|C<3>,2|H<1>}	C(C[5]C[5]N[5]C)(C[5]C[5]2Fe)(CHHN)(H)	N[5](C[5]C[6a]C[5])(C[5]C[5]CC){2|C<3>,4|H<1>}	109.0140	1.331	2	109.0140	1.771	2	109.0032	3.553	5	109.0032	3.553	5	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:3:	4:4:4:1:	3:4:	C[5]-4:N[5]-2:C-4:C-3:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-3:C[5]-4:	C[5](C[5]S[5]HH)(N[5]C[5])(CC[5]CH)(COO)	C(C[5]C[5]N[5]C)(C[5]C[5]2Fe)(CHHN)(H)	N[5](C[5]C[6a]S[5])(C[5]C[5]CC)	C[5](C[5]S[5]HH)(N[5]C[5])(CC[5]CH)(COO){1|C<3>}	C(C[5]C[5]N[5]C)(C[5]C[5]2Fe)(CHHN)(H)	N[5](C[5]C[6a]S[5])(C[5]C[5]CC){2|C<3>,2|H<1>}	107.5700	0.488	2	107.5700	0.238	2	109.0032	3.553	5	109.0032	3.553	5	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5,6]HH)(N[5]C[5])(CH3)2	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[5,6]Si[5])(C[5]C[5]CC)	C[5](C[5]C[5,6]HH)(N[5]C[5])(CH3)2{1|Si<4>,2|C<4>}	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[5,6]Si[5])(C[5]C[5]CC){1|Si<4>,1|C<3>,2|C<4>,3|H<1>}	107.9610	0.783	2	107.9610	0.614	2	108.7762	2.767	82	108.7762	2.767	82	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CC)(N[5]C[5])(CH3)2	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[5]N[5])(C[5]C[5]CC)	C[5](C[5]N[5]CC)(N[5]C[5])(CH3)2{1|C<3>,1|O<2>}	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[5]N[5])(C[5]C[5]CC){1|C<3>,1|N<3>,1|O<2>,2|C<4>}	109.2338	2.526	6	109.2338	6.381	6	108.7762	2.767	82	108.7762	2.767	82	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CC)(N[5]C[5])(CH3)2	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)	C[5](C[5]N[5]CC)(N[5]C[5])(CH3)2{1|C<3>,1|O<1>}	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[5a]N[5])(C[5]C[5]CC){1|O<1>,2|C<3>,2|C<4>}	107.2435	2.266	2	107.2435	5.136	2	108.7762	2.767	82	108.7762	2.767	82	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CC)(N[5]C[5])(CH3)2	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)	C[5](C[5]N[5]CC)(N[5]C[5])(CH3)2{1|C<3>,1|O<1>}	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[6a]N[5])(C[5]C[5]CC){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	107.1855	2.143	4	107.8299	4.067	20	108.7762	2.767	82	108.7762	2.767	82	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CC)(N[5]C[5])(CH3)2	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)	C[5](C[5]N[5]CC)(N[5]C[5])(CH3)2{1|C<3>,1|O<1>}	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[6a]N[5])(C[5]C[5]CC){1|C<4>,1|O<1>,3|C<3>}	106.4825	3.160	2	107.8299	4.067	20	108.7762	2.767	82	108.7762	2.767	82	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CC)(N[5]C[5])(CH3)2	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)	C[5](C[5]N[5]CC)(N[5]C[5])(CH3)2{1|C<3>,1|O<1>}	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[6a]N[5])(C[5]C[5]CC){1|O<1>,2|C<3>,2|C<4>}	107.4650	2.007	8	107.8299	4.067	20	108.7762	2.767	82	108.7762	2.767	82	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CC)(N[5]C[5])(CH3)2	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[6a]N[5])(C[5]C[5]CC)	C[5](C[5]N[5]CC)(N[5]C[5])(CH3)2{1|C<3>,1|O<2>}	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[6a]N[5])(C[5]C[5]CC){1|O<2>,2|C<3>,2|C<4>}	109.1950	1.248	6	107.8299	4.067	20	108.7762	2.767	82	108.7762	2.767	82	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5])(CH3)2	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[5]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]HH)(N[5]C[5])(CH3)2{1|C<4>}	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[5]O[5])(C[5]C[5]CC){1|C<4>,2|C<3>,2|H<1>}	108.7670	0.115	2	108.7670	0.013	2	108.7762	2.767	82	108.7762	2.767	82	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5])(CH3)2	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[6]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]HH)(N[5]C[5])(CH3)2{1|C<4>}	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[6]O[5])(C[5]C[5]CC){1|C<4>,2|C<3>,2|H<1>}	109.5395	3.548	2	109.5395	12.585	2	108.7762	2.767	82	108.7762	2.767	82	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5])(CH3)2	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[6a]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]HH)(N[5]C[5])(CH3)2{1|C<3>}	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[6a]O[5])(C[5]C[5]CC){1|C<3>,1|N<2>,2|H<1>}	109.1833	0.985	4	109.1797	1.328	48	108.7762	2.767	82	108.7762	2.767	82	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5])(CH3)2	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[6a]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]HH)(N[5]C[5])(CH3)2{1|C<3>}	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[6a]O[5])(C[5]C[5]CC){2|C<3>,2|H<1>}	109.1794	1.176	44	109.1797	1.328	48	108.7762	2.767	82	108.7762	2.767	82	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:4:	4:1:1:1:	4:2:	C[5]-4:N[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:N[5]-2:	C[5](C[5]N[5]CH)(N[5]N[5])(CF3)(CH3)	C(C[5]C[5]N[5]C)(F)3	N[5](C[5]C[5]CC)(N[5]N[5])	C[5](C[5]N[5]CH)(N[5]N[5])(CF3)(CH3){1|C<3>}	C(C[5]C[5]N[5]C)(F)3	N[5](C[5]C[5]CC)(N[5]N[5]){1|H<1>,2|C<3>}	106.4445	1.259	2	106.4445	1.586	2	106.4445	1.586	2	108.1162	4.267	4	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:4:	4:1:1:1:	4:2:	C[5]-4:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:	C[5](C[5]N[5]CH)(N[5]N[5])(CF3)(CH3)	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[5]CC)(N[5]N[5])	C[5](C[5]N[5]CH)(N[5]N[5])(CF3)(CH3){1|C<3>}	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[5]CC)(N[5]N[5]){1|H<1>,2|C<3>}	109.7880	0.190	2	109.7880	0.036	2	109.7880	0.036	2	108.1162	4.267	4	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CC)(N[5]C[5])(CH3)2	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[5]CC)(C[5]N[5]C)	C[5](C[5]N[5]CC)(N[5]C[5])(CH3)2{1|C<4>,1|O<2>}	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[5]CC)(C[5]N[5]C){1|O<2>,2|C<4>}	109.7395	1.924	2	109.7395	3.702	2	108.8919	1.352	55	108.8919	1.352	55	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CC)(N[5]C[5])(CH3)2	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[5]CC)(C[5]N[5]N)	C[5](C[5]N[5]CC)(N[5]C[5])(CH3)2{1|N<3>,1|O<1>}	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[5]CC)(C[5]N[5]N){1|O<1>,2|C<4>}	107.2365	3.234	2	107.2365	10.456	2	108.8919	1.352	55	108.8919	1.352	55	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(N[5]C[5])(CH3)2	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[5]CC)(C[5]N[5]N)	C[5](C[5]N[5]CH)(N[5]C[5])(CH3)2{1|N<3>,1|S<4>}	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[5]CC)(C[5]N[5]N){1|C<4>,1|H<1>,1|S<4>}	108.8945	0.644	2	108.8945	0.415	2	108.8919	1.352	55	108.8919	1.352	55	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]O[5]HH)(N[5]C[5])(CC[5]HO)(CH3)	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[5]CC)(C[5]O[5]C)	C[5](C[5]O[5]HH)(N[5]C[5])(CC[5]HO)(CH3){1|C<4>}	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[5]CC)(C[5]O[5]C){2|H<1>}	108.3645	0.935	6	108.3645	0.874	6	108.8919	1.352	55	108.8919	1.352	55	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]O[5]HH)(N[5]C[5])(CH3)2	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[5]CC)(C[5]O[5]B)	C[5](C[5]O[5]HH)(N[5]C[5])(CH3)2{1|B<4>}	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[5]CC)(C[5]O[5]B){2|H<1>}	109.0309	1.025	22	109.0309	1.050	22	108.8919	1.352	55	108.8919	1.352	55	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]O[5]HH)(N[5]C[5])(CH3)2	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[5]CC)(C[5]O[5]C)	C[5](C[5]O[5]HH)(N[5]C[5])(CH3)2{1|C<4>}	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[5]CC)(C[5]O[5]C){2|H<1>}	109.0593	1.058	19	109.0593	1.119	19	108.8919	1.352	55	108.8919	1.352	55	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]S[5]HH)(N[5]C[5])(CH3)2	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[5]CC)(C[5]S[5]N)	C[5](C[5]S[5]HH)(N[5]C[5])(CH3)2{1|N<3>}	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[5]CC)(C[5]S[5]N){2|H<1>}	108.1600	1.126	2	108.1600	1.267	2	108.8919	1.352	55	108.8919	1.352	55	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:4:	4:2:1:1:	3:4:	C[5]-4:N[5]-2:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]O[5]HH)(N[5]C[5])(CHHO)2	C(C[5]C[5]N[5]C)(OH)(H)2	N[5](C[5]C[6a]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]HH)(N[5]C[5])(CHHO)2{1|C<3>}	C(C[5]C[5]N[5]C)(OH)(H)2	N[5](C[5]C[6a]O[5])(C[5]C[5]CC){2|C<3>,2|H<1>}	109.4825	0.540	2	109.4825	0.291	2	109.4825	0.291	2	109.4825	0.291	2	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:2:4:4:	4:4:2:1:	4:3:	C[5]-4:N[5]-2:C-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5]O[5]HH)(N[5]C[5])(CC[5]HO)(CH3)	C(C[5]C[5]N[5]C)(C[5]C[5]N[5]H)(OH)(H)	N[5](C[5]C[5]CC)(C[5]O[5]C)	C[5](C[5]O[5]HH)(N[5]C[5])(CC[5]HO)(CH3){1|C<4>}	C(C[5]C[5]N[5]C)(C[5]C[5]N[5]H)(OH)(H)	N[5](C[5]C[5]CC)(C[5]O[5]C){2|H<1>}	110.5400	0.737	6	110.5400	0.543	6	110.5400	0.543	6	110.5400	0.543	6	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:3:2:4:	4:1:1:1:	4:3:	C[5]-4:C[6a]-3:N[5]-2:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(CF3)	C(C[5]C[6a]C[5]N[5])(F)3	N[5](C[5]C[6a]C[5]C)(C[5]N[5]H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(CF3){1|S<4>,3|H<1>,4|C<3>}	C(C[5]C[6a]C[5]N[5])(F)3	N[5](C[5]C[6a]C[5]C)(C[5]N[5]H){1|H<1>,1|S<4>,3|C<3>}	105.3550	0.000	1	105.3550	0.000	1	105.6400	0.162	2	109.6586	14.214	5	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:3:2:4:	4:1:1:1:	4:3:	C[5]-4:C[6a]-3:N[5]-2:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5])(CF3)	C(C[5]C[6a]C[5]N[5])(F)3	N[5](C[5]C[6a]C[5]C)(C[5]O[5]H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5])(CF3){1|N<2>,3|C<3>,3|H<1>}	C(C[5]C[6a]C[5]N[5])(F)3	N[5](C[5]C[6a]C[5]C)(C[5]O[5]H){1|H<1>,3|C<3>}	105.9250	0.000	1	105.9250	0.000	1	105.6400	0.162	2	109.6586	14.214	5	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:3:2:4:	4:1:1:1:	4:3:	C[6]-4:C[5]-3:N[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[6]C[6,6a]N[6]H)(C[5]O[5]O)(N[5]C[5])(CH3)	C(C[5]C[5]C[6]N[5])(H)3	N[5](C[5]C[5]C[6]C)(C[5]C[6a]O[5])	C[5](C[6]C[6,6a]N[6]H)(C[5]O[5]O)(N[5]C[5])(CH3){5|C<3>}	C(C[5]C[5]C[6]N[5])(H)3	N[5](C[5]C[5]C[6]C)(C[5]C[6a]O[5]){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	112.3377	1.197	3	112.3377	1.432	3	112.3377	1.432	3	109.6586	14.214	5	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:3:2:4:	4:2:1:1:	4:3:	C[5]-4:C[6a]-3:N[5]-2:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(CHHO)	C(C[5]C[6a]C[5]N[5])(OO)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]C[6a]N[5])	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5])(CHHO){2|H<1>,6|C<3>}	C(C[5]C[6a]C[5]N[5])(OO)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]C[6a]N[5]){1|H<1>,6|C<3>}	108.7660	0.000	1	108.7660	0.000	1	108.7660	0.000	1	108.7660	0.000	1	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:3:4:2:	4:3:1:1:	3:4:	C[5]-4:C[5]-3:C-4:N[5]-2:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5]2H)(C[5]O[5]O)(CC[6a]HH)(N[5]C[5])	C(C[5]C[5]2N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[6a]O[5])(C[5]C[5]2C)	C[5](C[5]C[5]2H)(C[5]O[5]O)(CC[6a]HH)(N[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	C(C[5]C[5]2N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[6a]O[5])(C[5]C[5]2C){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	110.0470	0.000	1	110.0470	0.000	1	110.0470	0.000	1	110.0470	0.000	1	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:3:4:2:	4:3:1:1:	4:3:	C[5]-4:C[5]-3:C-4:N[5]-2:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5,6a]C[5]N)(C[5]O[5]O)(CC[6a]HH)(N[5]C[5])	C(C[5]C[5]2N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]2C)(C[5]O[5]C)	C[5](C[5]C[5,6a]C[5]N)(C[5]O[5]O)(CC[6a]HH)(N[5]C[5]){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C(C[5]C[5]2N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]2C)(C[5]O[5]C){1|N<3>,1|O<1>,2|C<3>}	110.8590	0.000	1	110.8590	0.000	1	110.8590	0.000	1	110.8590	0.000	1	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:2:1:	3:4:2:1:	3:4:	C[5]-4:C-4:N[5]-2:H-1:	C[5a]-3:C[5]-4:O-2:H-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]HH)(CC[5a]HO)(N[5]C[5])(H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(OH)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]CH)	C[5](C[5]N[5]HH)(CC[5a]HO)(N[5]C[5])(H){2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(OH)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]CH){2|H<1>,3|C<3>}	111.0130	0.000	1	111.0130	0.000	1	111.0130	0.000	1	111.0130	0.000	1	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:2:1:	4:3:1:1:	3:4:	C[5]-4:C-4:N[5]-2:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]O[5]HH)(CC[6a]HH)(N[5]C[5])(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	N[5](C[5]C[5x3,5x5,20x6]O[5])(C[5]C[5]CH)	C[5](C[5]O[5]HH)(CC[6a]HH)(N[5]C[5])(H){1|C<6>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	N[5](C[5]C[5x3,5x5,20x6]O[5])(C[5]C[5]CH){2|H<1>,5|B<6>}	110.9570	0.672	4	110.9570	0.451	4	111.2819	1.885	8	111.2819	1.885	8	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:2:1:	4:3:1:1:	3:4:	C[5]-4:C-4:N[5]-2:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]O[5]HH)(CC[6a]HH)(N[5]C[5])(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	N[5](C[5]C[6a]O[5])(C[5]C[5]CH)	C[5](C[5]O[5]HH)(CC[6a]HH)(N[5]C[5])(H){1|C<3>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	N[5](C[5]C[6a]O[5])(C[5]C[5]CH){1|C<3>,1|N<2>,2|H<1>}	113.0720	0.266	2	111.6068	3.666	4	111.2819	1.885	8	111.2819	1.885	8	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:2:1:	4:3:1:1:	3:4:	C[5]-4:C-4:N[5]-2:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]O[5]HH)(CC[6a]HH)(N[5]C[5])(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	N[5](C[5]C[6a]O[5])(C[5]C[5]CH)	C[5](C[5]O[5]HH)(CC[6a]HH)(N[5]C[5])(H){1|C<3>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	N[5](C[5]C[6a]O[5])(C[5]C[5]CH){2|C<3>,2|H<1>}	110.1415	1.529	2	111.6068	3.666	4	111.2819	1.885	8	111.2819	1.885	8	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:2:1:	4:3:1:1:	4:3:	C[5]-4:C-4:N[5]-2:H-1:	C[5]-4:C[6a]-3:Cl-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]O[5]HH)(CC[6a]ClH)(N[5]C[5])(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(Cl)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)	C[5](C[5]O[5]HH)(CC[6a]ClH)(N[5]C[5])(H){1|O<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(Cl)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O){2|H<1>}	111.8400	0.000	1	111.8400	0.000	1	111.8400	0.000	1	112.9810	2.604	2	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:2:1:	4:3:1:1:	4:3:	C[5]-4:C-4:N[5]-2:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]O[5]CH)(CC[6a]HH)(N[5]C[5])(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]CH)(C[5]O[5]O)	C[5](C[5]O[5]CH)(CC[6a]HH)(N[5]C[5])(H){1|O<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]CH)(C[5]O[5]O){1|C<3>,1|H<1>}	114.1220	0.000	1	114.1220	0.000	1	114.1220	0.000	1	112.9810	2.604	2	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:2:1:	4:3:2:1:	3:4:	C[5]-4:C-4:N[5]-2:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(CC[6a]HO)(N[5]C[5])(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]CH)	C[5](C[5]N[5]CH)(CC[6a]HO)(N[5]C[5])(H){2|C<3>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]CH){1|C<4>,1|H<1>,3|C<3>}	110.9260	0.000	1	110.9260	0.000	1	110.9260	0.000	1	110.9260	0.000	1	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:2:1:	4:3:3:1:	3:4:	C[5]-4:C-4:N[5]-2:H-1:	C[5]-4:C[6a]-3:N-3:H-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]HH)(CC[6a]HN)(N[5]C[5])(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NSS)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]CH)	C[5](C[5]N[5]HH)(CC[6a]HN)(N[5]C[5])(H){2|C<3>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NSS)(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]CH){2|H<1>,3|C<3>}	109.4790	0.000	1	109.4790	0.000	1	109.4790	0.000	1	109.4790	0.000	1	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:2:1:	4:3:4:1:	3:4:	C[5]-4:C-4:N[5]-2:H-1:	C[5]-4:C[6a]-3:C-4:F-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]HH)(CC[6a]CF)(N[5]C[5])(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CH3)(F)	N[5](C[5]C[6a]N[5])(C[5]C[5]CH)	C[5](C[5]N[5]HH)(CC[6a]CF)(N[5]C[5])(H){2|C<3>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CH3)(F)	N[5](C[5]C[6a]N[5])(C[5]C[5]CH){2|H<1>,3|C<3>}	111.7120	0.433	2	111.7120	0.187	2	111.7120	0.187	2	111.7120	0.187	2	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:2:1:	4:3:4:2:	3:4:	C[5]-4:C-4:N[5]-2:H-1:	C[5]-4:C[6a]-3:C-4:O-2:	C[5]-3:C[5]-4:	C[5](C[5]N[5]HH)(CC[6a]CO)(N[5]C[5])(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CH3)(OH)	N[5](C[5]C[6a]N[5])(C[5]C[5]CH)	C[5](C[5]N[5]HH)(CC[6a]CO)(N[5]C[5])(H){2|C<3>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CH3)(OH)	N[5](C[5]C[6a]N[5])(C[5]C[5]CH){2|H<1>,3|C<3>}	113.0370	0.000	1	113.0370	0.000	1	113.0370	0.000	1	113.0370	0.000	1	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:2:3:	4:3:1:1:	3:4:	C[5]-4:C-4:N[5]-2:C-3:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5,5]CH)(CC[6a]HH)(N[5]C[5])(COO)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	N[5](C[5]C[5,5]C[6a])(C[5]C[5]CC)	C[5](C[5]C[5,5]CH)(CC[6a]HH)(N[5]C[5])(COO){3|C<3>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	N[5](C[5]C[5,5]C[6a])(C[5]C[5]CC){1|H<1>,5|C<3>}	109.0590	0.317	2	109.0590	0.100	2	109.0490	0.050	3	109.0490	0.050	3	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:2:3:	4:3:1:1:	3:4:	C[5]-4:C-4:N[5]-2:C-3:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5]HH)(CC[6a]HH)(N[5]C[5])(COO)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	N[5](C[5]C[6a]C[5])(C[5]C[5]CC)	C[5](C[5]C[5]HH)(CC[6a]HH)(N[5]C[5])(COO){1|C<3>,2|H<1>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	N[5](C[5]C[6a]C[5])(C[5]C[5]CC){2|C<3>,4|H<1>}	109.0290	0.000	1	109.0290	0.000	1	109.0490	0.050	3	109.0490	0.050	3	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:2:3:	4:3:1:1:	4:3:	C[5,6]-4:C-4:N[5]-2:C-3:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6]C[6,6a]C[6]O[5])(CC[6a]HH)(N[5]C[5])(COO)	C(C[5]C[5,6]N[5]C)(C[6a]C[6a]2)(H)2	N[5](C[5]C[5,6]CC)(C[5]O[5]C)	C[5](C[5,6]C[6,6a]C[6]O[5])(CC[6a]HH)(N[5]C[5])(COO){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C(C[5]C[5,6]N[5]C)(C[6a]C[6a]2)(H)2	N[5](C[5]C[5,6]CC)(C[5]O[5]C){2|C<3>}	109.1050	0.000	1	109.1050	0.000	1	109.1050	0.000	1	109.1050	0.000	1	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:2:3:	4:3:3:1:	3:4:	C[5]-4:C-4:N[5]-2:C-3:	C[5]-4:C[6a]-3:C-3:H-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5]HH)(CC[6a]CH)(N[5]C[5])(COO)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CCH)(H)	N[5](C[5]C[6a]C[5])(C[5]C[5]CC)	C[5](C[5]C[5]HH)(CC[6a]CH)(N[5]C[5])(COO){1|C<3>,2|H<1>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CCH)(H)	N[5](C[5]C[6a]C[5])(C[5]C[5]CC){2|C<3>,4|H<1>}	109.5065	1.146	2	109.5065	1.314	2	109.5065	1.314	2	109.5065	1.314	2	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:2:3:	4:3:4:1:	3:4:	C[5]-4:C-4:N[5]-2:C-3:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5]HH)(CC[6a]CH)(N[5]C[5])(COO)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CC[5a]HH)(H)	N[5](C[5]C[6a]C[5])(C[5]C[5]CC)	C[5](C[5]C[5]HH)(CC[6a]CH)(N[5]C[5])(COO){1|C<3>,2|H<1>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CC[5a]HH)(H)	N[5](C[5]C[6a]C[5])(C[5]C[5]CC){2|C<3>,4|H<1>}	110.2110	0.000	1	110.2110	0.000	1	110.2110	0.000	1	110.2110	0.000	1	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:2:4:	3:4:1:1:	3:4:	C[5]-4:C-4:N[5]-2:C-4:	N[5a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]O[5]HH)(CN[5a]HH)(N[5]C[5])(CH3)	C(N[5a]C[5a]N[5a])(C[5]C[5]N[5]C)(H)2	N[5](C[5]C[6a]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]HH)(CN[5a]HH)(N[5]C[5])(CH3){1|C<3>}	C(N[5a]C[5a]N[5a])(C[5]C[5]N[5]C)(H)2	N[5](C[5]C[6a]O[5])(C[5]C[5]CC){2|C<3>,2|H<1>}	109.7180	0.000	1	109.7180	0.000	1	109.7180	0.000	1	109.7180	0.000	1	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:2:4:	4:1:1:1:	3:4:	C[5]-4:C-4:N[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]O[5]HH)(CN[5a]HH)(N[5]C[5])(CH3)	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[6a]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]HH)(CN[5a]HH)(N[5]C[5])(CH3){1|C<3>}	C(C[5]C[5]N[5]C)(H)3	N[5](C[5]C[6a]O[5])(C[5]C[5]CC){2|C<3>,2|H<1>}	109.2210	0.000	1	109.2210	0.000	1	109.2210	0.000	1	109.2210	0.000	1	110.0545	3.695	483	110.0214	3.772	498
474	490	960	0:SP3_SP2_SP3	C[5]	C	N[5]	4:4:2:4:	4:1:1:1:	4:3:	C[5]-4:C[5]-4:N[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5,6a]N[5]O)(C[5]S[5]HO)(N[5]C[5])(CH3)	C(C[5]C[5]2N[5])(H)3	N[5](C[5]C[5]2C)(C[5]S[5]C)	C[5](C[5]C[5,6a]N[5]O)(C[5]S[5]HO)(N[5]C[5])(CH3){2|C<4>,3|C<3>}	C(C[5]C[5]2N[5])(H)3	N[5](C[5]C[5]2C)(C[5]S[5]C){1|C<3>,1|H<1>,1|N<3>,2|O<2>}	107.0280	0.000	1	107.0280	0.000	1	107.0280	0.000	1	107.0280	0.000	1	110.0545	3.695	483	110.0214	3.772	498
474	490	969	0:SP3_SP-NON_SP3	C[5]	C	Ga	3:3:3:4:	4:1:1:1:	4:4:1:	C[5]-3:C[5]-3:Ga-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:Cl-1:	C[5](C[5]C[5]C)2(GaC[5]Cl)(CH3)	C(C[5]C[5]2Ga)(H)3	Ga(C[5]C[5]2C)2(Cl)	C[5](C[5]C[5]C)2(GaC[5]Cl)(CH3){2|C<4>}	C(C[5]C[5]2Ga)(H)3	Ga(C[5]C[5]2C)2(Cl)	114.4085	5.494	2	114.4085	30.179	2	114.4085	30.179	2	114.4085	30.179	2	116.4017	16.174	4	116.4017	16.174	4
474	490	969	0:SP3_SP-NON_SP3	C[5]	C	Ga	3:3:3:4:	4:1:1:1:	4:4:4:	C[5]-3:C[5]-3:Ga-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5](C[5]C[5]C)2(GaC[5]C)(CH3)	C(C[5]C[5]2Ga)(H)3	Ga(C[5]C[5]2C)2(CH3)	C[5](C[5]C[5]C)2(GaC[5]C)(CH3){2|C<4>}	C(C[5]C[5]2Ga)(H)3	Ga(C[5]C[5]2C)2(CH3)	118.3950	1.566	2	118.3950	2.451	2	118.3950	2.451	2	118.3950	2.451	2	116.4017	16.174	4	116.4017	16.174	4
474	490	975	0:SP3_SP3_SP3	C[5,6,6]	C	Se[6,6]	4:2:2:4:	4:1:1:1:	4:4:	C[5,6]-4:Se[6,6]-2:O[5,6]-2:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,5,6]HH)(Se[6,6]C[5,6,6])(O[5,6]C[5,5,6])(CH3)	C(C[5,6,6]Se[6,6]C[5,6]O[5,6])(H)3	Se[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]C[5,6]O[5,6]H)	C[5,6,6](C[5,6]C[5,5,6]HH)(Se[6,6]C[5,6,6])(O[5,6]C[5,5,6])(CH3){1|C<4>,1|O<2>,3|H<1>}	C(C[5,6,6]Se[6,6]C[5,6]O[5,6])(H)3	Se[6,6](C[5,6,6]C[5,6]O[5,6]C)(C[5,6,6]C[5,6]O[5,6]H){3|C<4>,3|H<1>}	109.4990	0.000	1	109.4990	0.000	1	109.4990	0.000	1	109.4990	0.000	1	109.4990	0.000	1	109.6895	0.073	2
474	490	975	0:SP3_SP3_SP3	C[5,6]	C	Se[6]	3:2:3:4:	4:1:1:1:	4:3:	C[5,6]-3:Se[6]-2:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-3:	C[5,6](C[5,6]Se[6]C[5])(Se[6]C[5,6])(C[5]C[5]C)(CH3)	C(C[5,6]C[5,6]Se[6]C[5])(H)3	Se[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]C[5])	C[5,6](C[5,6]Se[6]C[5])(Se[6]C[5,6])(C[5]C[5]C)(CH3){1|C<3>,3|C<4>}	C(C[5,6]C[5,6]Se[6]C[5])(H)3	Se[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]C[5]){1|Se<2>,3|C<4>,4|C<3>}	109.8800	0.000	1	109.8800	0.000	1	109.8800	0.000	1	109.8800	0.000	1	109.8800	0.000	1	109.6895	0.073	2
474	490	976	0:SP3_SP2_SP3	C[5,5,6]	C	O[5,6]	4:2:2:4:	4:1:1:1:	4:3:	C[5,5,6]-4:O[5,5]-2:O[5,6]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(CH3)	C(C[5,5,6]C[5,5,6]O[5,5]O[5,6])(H)3	O[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]C)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(CH3){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C(C[5,5,6]C[5,5,6]O[5,5]O[5,6])(H)3	O[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]C){1|C<3>,1|H<1>,2|C<4>}	110.9532	0.796	4	110.9532	0.634	4	110.9532	0.634	4	110.4468	0.535	10	110.2294	1.002	11	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,5,6]	C	O[5,6]	4:2:2:4:	4:1:1:1:	4:3:	C[5,5]-4:O[5,6]-2:O[5,6]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:	C[5,5,6](C[5,5]C[5,5,6,6]HO)(O[5,6]C[5,6,6])(O[5,6]C[5,6])(CH3)	C(C[5,5,6]C[5,5]O[5,6]2)(H)3	O[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6,6]O)	C[5,5,6](C[5,5]C[5,5,6,6]HO)(O[5,6]C[5,6,6])(O[5,6]C[5,6])(CH3){1|H<1>,1|O<1>,2|C<4>}	C(C[5,5,6]C[5,5]O[5,6]2)(H)3	O[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6,6]O){1|H<1>,1|O<2>,2|C<4>}	110.3300	0.352	4	110.3300	0.124	4	110.3300	0.124	4	110.4468	0.535	10	110.2294	1.002	11	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,5,6]	C	O[5,6]	4:2:2:4:	4:1:1:1:	4:3:	C[5,6]-4:O[5,5]-2:O[5,6]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:	C[5,5,6](C[5,6]C[5,6]CC)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(CH3)	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(H)3	O[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]O)	C[5,5,6](C[5,6]C[5,6]CC)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(H)3	O[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]O){1|C<3>,3|C<4>}	109.3160	0.000	1	109.6675	0.247	2	109.6675	0.247	2	110.4468	0.535	10	110.2294	1.002	11	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,5,6]	C	O[5,6]	4:2:2:4:	4:1:1:1:	4:3:	C[5,6]-4:O[5,5]-2:O[5,6]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:	C[5,5,6](C[5,6]C[5,6]CC)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(CH3)	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(H)3	O[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]O)	C[5,5,6](C[5,6]C[5,6]CC)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(CH3){1|C<4>,1|O<1>,2|H<1>}	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(H)3	O[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]O){1|C<3>,3|C<4>}	110.0190	0.000	1	109.6675	0.247	2	109.6675	0.247	2	110.4468	0.535	10	110.2294	1.002	11	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,5,6]	C	O[5,6]	4:4:2:4:	4:4:4:1:	4:3:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,5,6]-4:C-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-3:	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(CCCH)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(CH3)2(H)	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]O)	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(CCCH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(CH3)2(H)	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]O){1|C<3>,2|C<4>,3|H<1>}	108.0550	0.000	1	108.0550	0.000	1	108.0550	0.000	1	108.0550	0.000	1	110.2294	1.002	11	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:2:	C[3x5,6]-4:C[5,5,6]-4:O[5]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:N[5]-2:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5,6]C[5,5]C[5,6]H)(O[5]N[5])(CH3)	C(C[5,5,6]C[3x5,6]C[5,5,6]O[5])(H)3	O[5](C[5,5,6]C[3x5,6]C[5,5,6]C)(N[5]C[5,5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5,6]C[5,5]C[5,6]H)(O[5]N[5])(CH3){1|C<3>,2|C<4>,6|H<1>}	C(C[5,5,6]C[3x5,6]C[5,5,6]O[5])(H)3	O[5](C[5,5,6]C[3x5,6]C[5,5,6]C)(N[5]C[5,5]){1|C<3>,1|H<1>,4|C<4>}	106.6620	0.000	1	106.6620	0.000	1	106.6620	0.000	1	106.6620	0.000	1	105.6665	1.982	2	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:3:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-3:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]C)(O[5]C[5])(CH3)	C(C[5,5,6]C[5,5,6]2O[5])(H)3	O[5](C[5,5,6]C[5,5,6]2C)(C[5]C[5]O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]C)(O[5]C[5])(CH3){1|C<4>,1|O<1>,7|H<1>}	C(C[5,5,6]C[5,5,6]2O[5])(H)3	O[5](C[5,5,6]C[5,5,6]2C)(C[5]C[5]O){1|C<3>,2|H<1>,4|C<4>}	104.6710	0.000	1	104.6710	0.000	1	104.6710	0.000	1	104.6710	0.000	1	105.6665	1.982	2	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	3:4:2:4:	4:1:1:1:	4:3:	C[5,5a]-3:C[5,5]-4:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(CH3)	C(C[5,5]C[5,5a]C[5,5]O[5])(H)3	O[5](C[5,5]C[5,5a]C[5,5]C)(C[5,6a]C[5,6a]C[6a])	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(CH3){1|C<4>,2|H<1>,4|C<3>}	C(C[5,5]C[5,5a]C[5,5]O[5])(H)3	O[5](C[5,5]C[5,5a]C[5,5]C)(C[5,6a]C[5,6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	107.1310	0.000	1	107.1310	0.000	1	107.1310	0.000	1	106.5605	2.353	13	107.7113	2.037	74	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	3:4:2:4:	4:1:1:1:	4:3:	C[5,6a]-3:C[5,5]-4:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:B[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]O[5]C)(O[5]B[5])(CH3)	C(C[5,5]C[5,6a]C[5,5]O[5])(H)3	O[5](C[5,5]C[5,6a]C[5,5]C)(B[5]O[5]C)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]O[5]C)(O[5]B[5])(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[5,5]C[5,6a]C[5,5]O[5])(H)3	O[5](C[5,5]C[5,6a]C[5,5]C)(B[5]O[5]C){1|C<4>,3|C<3>}	108.0205	0.372	4	108.0205	0.138	4	108.0205	0.138	4	106.5605	2.353	13	107.7113	2.037	74	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	3:4:2:4:	4:1:1:1:	4:3:	C[5,6a]-3:C[5,5]-4:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]N)(O[5]C[5,6a])(CH3)	C(C[5,5]C[5,6a]C[5,5]O[5])(H)3	O[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[5,6a]C[6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]N)(O[5]C[5,6a])(CH3){2|H<1>,4|C<3>}	C(C[5,5]C[5,6a]C[5,5]O[5])(H)3	O[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[5,6a]C[6a]){1|H<1>,2|N<3>,4|C<3>}	106.4870	0.332	2	106.4870	0.110	2	106.4870	0.110	2	106.5605	2.353	13	107.7113	2.037	74	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	3:4:2:4:	4:1:1:1:	4:3:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	C[5,5]-4:F-1:F-1:F-1:	C[5,5]-4:C[5]-3:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(O[5]C[5])(CF3)	C(C[5,5]N[5,5]C[5]O[5])(F)3	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]O)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(O[5]C[5])(CF3){1|C<3>,1|O<1>,2|O<2>,3|H<1>}	C(C[5,5]N[5,5]C[5]O[5])(F)3	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]O){1|C<3>,2|H<1>,3|C<4>}	104.3820	0.389	2	104.3820	0.151	2	104.5160	0.091	4	106.5605	2.353	13	107.7113	2.037	74	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	3:4:2:4:	4:1:1:1:	4:3:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	C[5,5]-4:F-1:F-1:F-1:	C[5,5]-4:C[5]-3:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5])(CF3)	C(C[5,5]N[5,5]C[5]O[5])(F)3	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]O)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5])(CF3){1|C<3>,1|O<1>,2|O<2>,3|H<1>}	C(C[5,5]N[5,5]C[5]O[5])(F)3	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,3|H<1>}	104.6500	0.221	2	104.6500	0.049	2	104.5160	0.091	4	106.5605	2.353	13	107.7113	2.037	74	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	3:4:2:4:	4:1:1:1:	4:3:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3)	C(C[5,5]N[5,5]C[5]O[5])(H)3	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]O)	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3){1|C<3>,2|O<1>}	C(C[5,5]N[5,5]C[5]O[5])(H)3	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]O){1|C<4>,2|C<3>,2|O<2>}	107.6220	0.000	1	107.5175	0.022	2	107.5175	0.022	2	106.5605	2.353	13	107.7113	2.037	74	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	3:4:2:4:	4:1:1:1:	4:3:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3)	C(C[5,5]N[5,5]C[5]O[5])(H)3	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]O)	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3){1|C<4>,1|H<1>,2|O<1>}	C(C[5,5]N[5,5]C[5]O[5])(H)3	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]O){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	107.4130	0.000	1	107.5175	0.022	2	107.5175	0.022	2	106.5605	2.353	13	107.7113	2.037	74	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	4:2:2:4:	4:1:1:1:	3:4:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C[5,5]-4:F-1:F-1:F-1:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(CF3)	C(C[5,5]C[5,5]O[5]2)(F)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(CF3){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(C[5,5]C[5,5]O[5]2)(F)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C){1|C<4>,2|H<1>,3|C<3>}	106.7390	0.000	1	106.7390	0.000	1	106.7390	0.000	1	107.9027	0.842	6	107.7113	2.037	74	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	4:2:2:4:	4:1:1:1:	3:4:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,5]C[5,6a]2C)(O[5]C[5,6a])2(CH3)	C(C[5,5]C[5,5]O[5]2)(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C)	C[5,5](C[5,5]C[5,6a]2C)(O[5]C[5,6a])2(CH3){4|C<3>}	C(C[5,5]C[5,5]O[5]2)(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]C){1|C<4>,1|P<4>,4|C<3>}	108.3520	0.741	4	108.3520	0.549	4	108.1354	0.646	5	107.9027	0.842	6	107.7113	2.037	74	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	4:2:2:4:	4:1:1:1:	3:4:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,5]C[5,6a]O[5]H)(O[5]C[5,6a])(O[5]C[5])(CH3)	C(C[5,5]C[5,5]O[5]2)(H)3	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]O[5]C)	C[5,5](C[5,5]C[5,6a]O[5]H)(O[5]C[5,6a])(O[5]C[5])(CH3){2|C<3>,2|C<4>}	C(C[5,5]C[5,5]O[5]2)(H)3	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]O[5]C){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	107.2690	0.000	1	107.2690	0.000	1	108.1354	0.646	5	107.9027	0.842	6	107.7113	2.037	74	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	4:2:2:4:	4:1:1:1:	4:3:	C[5,5,6]-4:O[5]-2:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(O[5]C[5,5,6])(O[5]C[5])(CH3)	C(C[5,5]C[5,5,6]O[5]2)(H)3	O[5](C[5,5]C[5,5,6]O[5]C)(C[5]C[5,6]O)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(O[5]C[5,5,6])(O[5]C[5])(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(C[5,5]C[5,5,6]O[5]2)(H)3	O[5](C[5,5]C[5,5,6]O[5]C)(C[5]C[5,6]O){1|O<2>,2|C<4>,2|H<1>}	109.7670	0.034	2	109.7670	0.001	2	109.7670	0.001	2	108.8934	0.915	8	107.7113	2.037	74	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	4:2:2:4:	4:1:1:1:	4:3:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C[5,5]-4:F-1:F-1:F-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(CF3)	C(C[5,5]C[5,5]O[5]2)(F)3	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]O)	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(O[5]C[5])(CF3){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(C[5,5]C[5,5]O[5]2)(F)3	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	106.9660	0.000	1	106.9660	0.000	1	106.9660	0.000	1	108.8934	0.915	8	107.7113	2.037	74	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	4:2:2:4:	4:1:1:1:	4:3:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-3:	C[5,5](C[5,5]C[5,6]C[5]H)(O[5]C[5,6])(O[5]C[5])(CH3)	C(C[5,5]C[5,5]O[5]2)(H)3	O[5](C[5,5]C[5,5]O[5]C)(C[5,6]C[5,6]C[6])	C[5,5](C[5,5]C[5,6]C[5]H)(O[5]C[5,6])(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[5,5]C[5,5]O[5]2)(H)3	O[5](C[5,5]C[5,5]O[5]C)(C[5,6]C[5,6]C[6]){2|C<3>,2|C<4>,3|H<1>}	108.8030	0.000	1	108.8030	0.000	1	108.8030	0.000	1	108.8934	0.915	8	107.7113	2.037	74	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	4:2:2:4:	4:1:1:1:	4:3:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5])2(CH3)	C(C[5,5]C[5,5]O[5]2)(H)3	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[5,5]O)	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5])2(CH3){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C(C[5,5]C[5,5]O[5]2)(H)3	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[5,5]O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.9220	0.000	1	108.9220	0.000	1	108.9610	0.378	4	108.8934	0.915	8	107.7113	2.037	74	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	4:2:2:4:	4:1:1:1:	4:3:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5])2(CH3)	C(C[5,5]C[5,5]O[5]2)(H)3	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]C)	C[5,5](C[5,5]C[5,5]C[5]H)(O[5]C[5])2(CH3){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C(C[5,5]C[5,5]O[5]2)(H)3	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]C){1|C<3>,1|C<4>,2|H<1>}	108.7780	0.000	1	108.7780	0.000	1	108.9610	0.378	4	108.8934	0.915	8	107.7113	2.037	74	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	4:2:2:4:	4:1:1:1:	4:3:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,6]C[5]H)(O[5]C[5,6])(O[5]C[5])(CH3)	C(C[5,5]C[5,5]O[5]2)(H)3	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]O)	C[5,5](C[5,5]C[5,6]C[5]H)(O[5]C[5,6])(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[5,5]C[5,5]O[5]2)(H)3	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]O){2|C<3>,3|H<1>}	109.8050	0.000	1	109.8050	0.000	1	108.9610	0.378	4	108.8934	0.915	8	107.7113	2.037	74	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	4:2:2:4:	4:1:1:1:	4:3:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]N[5]C)(O[5]C[5])2(CH3)	C(C[5,5]C[5,5]O[5]2)(H)3	O[5](C[5,5]C[5,5]O[5]C)(C[5]N[5]C)	C[5,5](C[5,5]C[5]N[5]C)(O[5]C[5])2(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[5,5]C[5,5]O[5]2)(H)3	O[5](C[5,5]C[5,5]O[5]C)(C[5]N[5]C){3|C<4>}	108.3390	0.000	1	108.3390	0.000	1	108.9610	0.378	4	108.8934	0.915	8	107.7113	2.037	74	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	4:2:2:4:	4:3:1:1:	4:3:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C[5,5]-4:C-3:H-1:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(CCHH)	C(C[5,5]C[5,5]O[5]2)(CCO)(H)2	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]O)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(CCHH){1|C<4>,1|O<1>,5|H<1>}	C(C[5,5]C[5,5]O[5]2)(CCO)(H)2	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]O){2|C<4>,3|H<1>}	107.3480	0.000	1	107.3480	0.000	1	107.3480	0.000	1	107.3480	0.000	1	107.7113	2.037	74	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	4:2:2:4:	4:3:4:1:	4:3:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C[5,5]-4:C-3:C-4:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,5]C[5]C)(O[5]C[5,5])(O[5]C[5])(CCCH)	C(C[5,5]C[5,5]O[5]2)(CC[5]H)(CH3)(H)	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]O)	C[5,5](C[5,5]C[5,5]C[5]C)(O[5]C[5,5])(O[5]C[5])(CCCH){1|O<1>,2|C<4>,4|H<1>}	C(C[5,5]C[5,5]O[5]2)(CC[5]H)(CH3)(H)	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]O){2|H<1>,3|C<4>}	107.7052	0.113	6	107.7052	0.013	6	107.7052	0.013	6	107.7052	0.013	6	107.7113	2.037	74	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	4:2:2:4:	4:4:1:1:	4:3:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C[5,5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,5]C[5]C)(O[5]C[5,5])(O[5]C[5])(CCHH)	C(C[5,5]C[5,5]O[5]2)(CH3)(H)2	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]O)	C[5,5](C[5,5]C[5,5]C[5]C)(O[5]C[5,5])(O[5]C[5])(CCHH){1|O<1>,2|C<4>,4|H<1>}	C(C[5,5]C[5,5]O[5]2)(CH3)(H)2	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]O){2|H<1>,3|C<4>}	106.8380	0.000	1	106.8380	0.000	1	106.8380	0.000	1	106.8380	0.000	1	107.7113	2.037	74	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	4:2:3:4:	4:1:1:1:	4:3:	C[5,5]-4:O[5]-2:N[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-3:	C[5,5](C[5,5]C[5,6]C[5]H)(O[5]C[5,6])(N[5]C[5]C)(CH3)	C(C[5,5]C[5,5]N[5]O[5])(H)3	O[5](C[5,5]C[5,5]N[5]C)(C[5,6]C[5,6]C[6])	C[5,5](C[5,5]C[5,6]C[5]H)(O[5]C[5,6])(N[5]C[5]C)(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[5,5]C[5,5]N[5]O[5])(H)3	O[5](C[5,5]C[5,5]N[5]C)(C[5,6]C[5,6]C[6]){2|C<3>,3|C<4>,3|H<1>}	107.7300	0.000	1	107.7300	0.000	1	107.7300	0.000	1	107.7300	0.000	1	107.7113	2.037	74	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5,5]-4:O[5]-2:C[5]-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(C[5]C[5]CH)(CH3)	C(C[5,5]C[5,5]C[5]O[5])(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)	C[5,5](C[5,5]C[5,6a]C[5]H)(O[5]C[5,6a])(C[5]C[5]CH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C(C[5,5]C[5,5]C[5]O[5])(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C){2|C<4>,2|H<1>,4|C<3>}	106.9780	0.081	2	106.9780	0.006	2	107.1383	0.080	3	107.1383	0.080	3	107.7113	2.037	74	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5,5]-4:O[5]-2:C[5]-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,5]N[5,6a]O[5]H)(O[5]C[5,6a])(C[5]C[5]HO)(CH3)	C(C[5,5]C[5,5]C[5]O[5])(H)3	O[5](C[5,6a]N[5,6a]N[6a])(C[5,5]C[5,5]C[5]C)	C[5,5](C[5,5]N[5,6a]O[5]H)(O[5]C[5,6a])(C[5]C[5]HO)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C(C[5,5]C[5,5]C[5]O[5])(H)3	O[5](C[5,6a]N[5,6a]N[6a])(C[5,5]C[5,5]C[5]C){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	107.4590	0.000	1	107.4590	0.000	1	107.1383	0.080	3	107.1383	0.080	3	107.7113	2.037	74	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	4:3:2:4:	4:1:1:1:	3:4:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(O[5]C[5,6a])(CH3)	C(C[5,5]C[5,5]C[5]O[5])(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(O[5]C[5,6a])(CH3){1|H<1>,1|O<1>,6|C<3>}	C(C[5,5]C[5,5]C[5]O[5])(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C){1|H<1>,6|C<3>}	107.8280	0.000	1	107.8280	0.000	1	107.8280	0.000	1	107.8280	0.000	1	107.7113	2.037	74	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	4:3:2:4:	4:1:1:1:	4:3:	C[5,5]-4:N[5]-3:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-3:	C[5,5](C[5,5]C[5,6]C[5]H)(N[5]C[5]C[6])(O[5]C[5,6])(CH3)	C(C[5,5]C[5,5]N[5]O[5])(H)3	O[5](C[5,5]C[5,5]N[5]C)(C[5,6]C[5,6]C[6])	C[5,5](C[5,5]C[5,6]C[5]H)(N[5]C[5]C[6])(O[5]C[5,6])(CH3){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C(C[5,5]C[5,5]N[5]O[5])(H)3	O[5](C[5,5]C[5,5]N[5]C)(C[5,6]C[5,6]C[6]){2|C<3>,3|C<4>,3|H<1>}	107.1760	0.000	1	107.1760	0.000	1	106.9927	0.374	3	108.3702	2.427	6	107.7113	2.037	74	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	4:3:2:4:	4:1:1:1:	4:3:	C[5,5]-4:N[5]-3:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-3:	C[5,5](C[5,5]C[5,6]C[5]H)(N[5]C[6a]C[5])(O[5]C[5,6])(CH3)	C(C[5,5]C[5,5]N[5]O[5])(H)3	O[5](C[5,5]C[5,5]N[5]C)(C[5,6]C[5,6]C[6])	C[5,5](C[5,5]C[5,6]C[5]H)(N[5]C[6a]C[5])(O[5]C[5,6])(CH3){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C(C[5,5]C[5,5]N[5]O[5])(H)3	O[5](C[5,5]C[5,5]N[5]C)(C[5,6]C[5,6]C[6]){2|C<4>,3|C<3>,3|H<1>}	106.9010	0.836	2	106.9010	0.699	2	106.9927	0.374	3	108.3702	2.427	6	107.7113	2.037	74	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	4:3:2:4:	4:1:1:1:	4:3:	C[5,5]-4:N[5]-3:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O[5]C[5])(CH3)	C(C[5,5]C[5,5]N[5]O[5])(H)3	O[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]O)	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O[5]C[5])(CH3){1|O<1>,2|C<3>,2|H<1>}	C(C[5,5]C[5,5]N[5]O[5])(H)3	O[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]O){1|O<2>,2|H<1>,3|C<3>}	109.7477	0.030	3	109.7477	0.001	3	109.7477	0.001	3	108.3702	2.427	6	107.7113	2.037	74	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	4:3:2:4:	4:3:4:2:	4:3:	C[5,5]-4:N[5]-3:O[5]-2:C-4:	C[5,5]-4:C[5]-3:C-4:O-2:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2C)(N[5]C[5]Co)(O[5]C[5])(CC[5]CO)	C(C[5,5]C[5,5]N[5]O[5])(C[5]C[5]N[5])(CH3)(OH)	O[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]O)	C[5,5](C[5,5]C[5]2C)(N[5]C[5]Co)(O[5]C[5])(CC[5]CO){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C(C[5,5]C[5,5]N[5]O[5])(C[5]C[5]N[5])(CH3)(OH)	O[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]O){1|Co<6>,1|C<3>,2|C<4>,2|H<1>}	103.5880	0.000	1	103.5880	0.000	1	103.5880	0.000	1	103.5880	0.000	1	107.7113	2.037	74	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	4:3:2:4:	4:4:1:1:	4:3:	C[3x5]-4:C[5]-3:O[5]-2:C-4:	C[5,5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[5]H)(O[5]C[5])(CCHH)	C(C[5,5]C[3x5]C[5]O[5])(CCHH)(H)2	O[5](C[5,5]C[3x5]C[5]C)(C[5]C[5]O)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[5]H)(O[5]C[5])(CCHH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C(C[5,5]C[3x5]C[5]O[5])(CCHH)(H)2	O[5](C[5,5]C[3x5]C[5]C)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	106.9350	0.000	1	106.9350	0.000	1	106.9350	0.000	1	106.5315	0.326	2	107.7113	2.037	74	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	4:3:2:4:	4:4:1:1:	4:3:	C[5,5,6]-4:C[5,6a]-3:O[5]-2:C-4:	C[5,5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)	C(C[5,5]C[5,5,6]C[5,6a]O[5])(CN[5]HH)(H)2	O[5](C[5,5]C[5,5,6]C[5,6a]C)(C[5]C[5,6]O)	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C(C[5,5]C[5,5,6]C[5,6a]O[5])(CN[5]HH)(H)2	O[5](C[5,5]C[5,5,6]C[5,6a]C)(C[5]C[5,6]O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	106.1280	0.000	1	106.1280	0.000	1	106.1280	0.000	1	106.5315	0.326	2	107.7113	2.037	74	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	4:3:4:2:	4:3:1:1:	4:3:	C[5,5]-4:N[5]-3:C-4:O[5]-2:	C[5,5]-4:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2H)(N[5]C[5]H)(CC[6a]HH)(O[5]C[5])	C(C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]H)	C[5,5](C[5,5]C[5]2H)(N[5]C[5]H)(CC[6a]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C(C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	104.7990	0.000	1	104.7990	0.000	1	104.7990	0.000	1	104.7990	0.000	1	107.7113	2.037	74	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	4:4:2:4:	4:1:1:1:	4:2:	C[3x5]-4:C[5,5]-4:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:N[5]-2:	C[5,5](C[3x5]C[5,5]C[5,6]C[5])(C[5,5]C[5,5]C[5]H)(O[5]N[5])(CH3)	C(C[5,5]C[3x5]C[5,5]O[5])(H)3	O[5](C[5,5]C[3x5]C[5,5]C)(N[5]C[5,5])	C[5,5](C[3x5]C[5,5]C[5,6]C[5])(C[5,5]C[5,5]C[5]H)(O[5]N[5])(CH3){1|O<2>,5|C<4>,5|H<1>}	C(C[5,5]C[3x5]C[5,5]O[5])(H)3	O[5](C[5,5]C[3x5]C[5,5]C)(N[5]C[5,5]){1|H<1>,5|C<4>}	106.9635	0.288	2	106.9635	0.083	2	106.9635	0.083	2	107.2617	0.308	3	107.7113	2.037	74	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	4:4:2:4:	4:1:1:1:	4:2:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:N[5]-2:	C[5,5](C[5,5]C[5]P[5]H)(C[5]C[5]HH)(O[5]N[5])(CH3)	C(C[5,5]C[5,5]C[5]O[5])(H)3	O[5](C[5,5]C[5,5]C[5]C)(N[5]C[5])	C[5,5](C[5,5]C[5]P[5]H)(C[5]C[5]HH)(O[5]N[5])(CH3){1|O<1>,2|C<3>,2|H<1>}	C(C[5,5]C[5,5]C[5]O[5])(H)3	O[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]){1|C<3>,1|C<4>,1|P<4>,3|H<1>}	107.8580	0.000	1	107.8580	0.000	1	107.8580	0.000	1	107.2617	0.308	3	107.7113	2.037	74	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	4:4:2:4:	4:1:1:1:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5])(CH3)	C(C[5,5]C[5,5]C[5]O[5])(H)3	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5])(CH3){1|C<4>,2|O<2>,3|H<1>}	C(C[5,5]C[5,5]C[5]O[5])(H)3	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]H){1|O<2>,2|C<4>,3|H<1>}	106.1950	0.000	1	106.1950	0.000	1	107.2095	2.058	2	106.9873	0.752	4	107.7113	2.037	74	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	4:4:2:4:	4:1:1:1:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	C(C[5,5]C[5,5]C[5]O[5])(H)3	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]O)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|O<1>,1|S<4>,3|C<3>}	C(C[5,5]C[5,5]C[5]O[5])(H)3	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]O){1|N<3>,2|C<3>,2|H<1>}	108.2240	0.000	1	108.2240	0.000	1	107.2095	2.058	2	106.9873	0.752	4	107.7113	2.037	74	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	4:4:2:4:	4:1:1:1:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:I-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(O[5]C[5])(CHHI)	C(C[5,5]C[5,5]C[5]O[5])(H)2(I)	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]O)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(O[5]C[5])(CHHI){1|O<1>,1|O<2>,5|H<1>}	C(C[5,5]C[5,5]C[5]O[5])(H)2(I)	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]O){3|C<4>,4|H<1>}	106.7650	0.000	2	106.7650	0.000	2	106.7650	0.000	2	106.9873	0.752	4	107.7113	2.037	74	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	4:4:2:4:	4:4:1:1:	4:3:	C[4,5,5]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[4,5,5]C[4,5,5]C[4,5]H)(C[5]C[5]HH)(O[5]C[5])(CCHH)	C(C[5,5]C[4,5,5]C[5]O[5])(CH3)(H)2	O[5](C[5,5]C[4,5,5]C[5]C)(C[5]C[4,5,5]C)	C[5,5](C[4,5,5]C[4,5,5]C[4,5]H)(C[5]C[5]HH)(O[5]C[5])(CCHH){1|C<3>,2|H<1>,3|C<4>}	C(C[5,5]C[4,5,5]C[5]O[5])(CH3)(H)2	O[5](C[5,5]C[4,5,5]C[5]C)(C[5]C[4,5,5]C){3|H<1>,4|C<4>}	107.1270	0.000	1	107.1270	0.000	1	107.1270	0.000	1	108.7083	0.939	14	107.7113	2.037	74	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	4:4:2:4:	4:4:1:1:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HO)(O[5]C[5])(CCHH)	C(C[5,5]C[5,5]C[5]O[5])(CH3)(H)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]O)	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HO)(O[5]C[5])(CCHH){1|O<1>,4|H<1>}	C(C[5,5]C[5,5]C[5]O[5])(CH3)(H)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]O){2|C<4>,2|O<2>,3|H<1>}	107.8900	0.000	1	107.8900	0.000	1	108.6497	2.849	3	108.7083	0.939	14	107.7113	2.037	74	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	4:4:2:4:	4:4:1:1:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(CCHH)	C(C[5,5]C[5,5]C[5]O[5])(CCCO)(H)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]O)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(CCHH){1|O<1>,2|C<4>,2|H<1>}	C(C[5,5]C[5,5]C[5]O[5])(CCCO)(H)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]O){1|O<2>,2|C<4>,4|H<1>}	110.5840	0.000	1	110.5840	0.000	1	108.6497	2.849	3	108.7083	0.939	14	107.7113	2.037	74	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	4:4:2:4:	4:4:1:1:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(CCHH)	C(C[5,5]C[5,5]C[5]O[5])(CCHH)(H)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]O)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(CCHH){1|O<1>,2|C<4>,2|H<1>}	C(C[5,5]C[5,5]C[5]O[5])(CCHH)(H)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]O){1|O<2>,2|C<4>,4|H<1>}	107.4750	0.000	1	107.4750	0.000	1	108.6497	2.849	3	108.7083	0.939	14	107.7113	2.037	74	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	4:4:2:4:	4:4:1:1:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]2H)(O[5]C[5])(CC[5]HH)	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5,5]O[5]C)(H)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]O)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]2H)(O[5]C[5])(CC[5]HH){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5,5]O[5]C)(H)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]O){1|O<2>,2|C<4>,4|H<1>}	107.7740	0.000	1	107.7740	0.000	1	108.7959	0.373	9	108.7083	0.939	14	107.7113	2.037	74	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	4:4:2:4:	4:4:1:1:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(CC[5]HH)	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]2O)(H)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]O)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(CC[5]HH){1|O<1>,2|C<4>,2|H<1>}	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]2O)(H)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]O){1|O<2>,2|C<4>,4|H<1>}	108.8945	0.173	4	108.8945	0.030	4	108.7959	0.373	9	108.7083	0.939	14	107.7113	2.037	74	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	4:4:2:4:	4:4:1:1:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(CC[5]HH)	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]O[5]C)(H)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]O)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(CC[5]HH){1|O<1>,2|C<4>,2|H<1>}	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]O[5]C)(H)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]O){1|O<2>,2|C<4>,4|H<1>}	109.4385	0.337	2	109.4385	0.114	2	108.7959	0.373	9	108.7083	0.939	14	107.7113	2.037	74	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	4:4:2:4:	4:4:1:1:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]CH)(O[5]C[5])(CC[5]HH)	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]O[5]C)(H)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]O)	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]CH)(O[5]C[5])(CC[5]HH){1|O<1>,2|C<4>,2|H<1>}	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]O[5]C)(H)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]O){2|C<4>,2|O<2>,3|H<1>}	108.4670	0.812	2	108.4670	0.659	2	108.7959	0.373	9	108.7083	0.939	14	107.7113	2.037	74	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	4:4:2:4:	4:4:1:1:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(CC[6]HH)	C(C[5,5]C[5,5]C[5]O[5])(C[6]C[6]2O)(H)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]O)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(CC[6]HH){1|O<1>,2|C<4>,2|H<1>}	C(C[5,5]C[5,5]C[5]O[5])(C[6]C[6]2O)(H)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]O){1|O<2>,2|C<4>,4|H<1>}	109.6770	0.000	1	109.6770	0.000	1	109.6770	0.000	1	108.7083	0.939	14	107.7113	2.037	74	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,5]	C	O[5]	4:4:2:4:	4:4:2:1:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5,5]-4:C[5]-3:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(CC[5]HO)	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]O[5]C)(OH)(H)	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]O)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(CC[5]HO){1|O<1>,2|C<4>,2|H<1>}	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]O[5]C)(OH)(H)	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]O){1|O<2>,2|C<4>,4|H<1>}	108.6920	0.771	3	108.6920	0.595	3	108.6920	0.595	3	108.6920	0.595	3	107.7113	2.037	74	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6,6]	C	O[5]	3:4:2:4:	4:1:1:1:	4:3:	N[5,6,6]-3:C[3x6]-4:O[5]-2:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:	C[5,6,6](N[5,6,6]C[5,6a]C[3x6])(C[3x6]C[6,6]2H)(O[5]C[5,6a])(CH3)	C(C[5,6,6]N[5,6,6]C[3x6]O[5])(H)3	O[5](C[5,6,6]N[5,6,6]C[3x6]C)(C[5,6a]C[5,6a]C[6a])	C[5,6,6](N[5,6,6]C[5,6a]C[3x6])(C[3x6]C[6,6]2H)(O[5]C[5,6a])(CH3){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C(C[5,6,6]N[5,6,6]C[3x6]O[5])(H)3	O[5](C[5,6,6]N[5,6,6]C[3x6]C)(C[5,6a]C[5,6a]C[6a]){2|C<4>,2|H<1>,3|C<3>}	107.3710	0.154	2	107.3710	0.024	2	107.3710	0.024	2	107.3710	0.024	2	105.7034	0.956	14	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:3:	C[3x6]-4:C[5,6,6]-4:O[5]-2:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]N[5]O)(O[5]C[5])(CH3)	C(C[5,6,6]C[5,6,6]C[3x6]O[5])(H)3	O[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]N[5]C)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]N[5]O)(O[5]C[5])(CH3){1|C<3>,3|C<4>,3|H<1>}	C(C[5,6,6]C[5,6,6]C[3x6]O[5])(H)3	O[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]N[5]C){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	105.9220	0.000	1	105.9220	0.000	1	105.9220	0.000	1	105.5128	0.491	11	105.7034	0.956	14	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:3:	C[5,3x6]-4:C[3x6]-4:O[5]-2:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-3:	C[5,6,6](C[5,3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(O[5]C[5])(CH3)	C(C[5,6,6]C[5,3x6]C[3x6]O[5])(H)3	O[5](C[5,6,6]C[5,3x6]C[3x6]C)(C[5]N[5]O)	C[5,6,6](C[5,3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(O[5]C[5])(CH3){1|O<1>,2|C<4>,9|H<1>}	C(C[5,6,6]C[5,3x6]C[3x6]O[5])(H)3	O[5](C[5,6,6]C[5,3x6]C[3x6]C)(C[5]N[5]O){2|H<1>,4|C<4>}	104.1950	0.000	1	104.1950	0.000	1	104.1950	0.000	1	105.5128	0.491	11	105.7034	0.956	14	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:3:	C[5,6,6]-4:C[4,6,6]-4:O[5]-2:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:B[5]-3:	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5])(CH3)	C(C[5,6,6]C[4,6,6]C[5,6,6]O[5])(H)3	O[5](C[5,6,6]C[4,6,6]C[5,6,6]C)(B[5]C[5]O[5])	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5])(CH3){4|C<4>,4|H<1>}	C(C[5,6,6]C[4,6,6]C[5,6,6]O[5])(H)3	O[5](C[5,6,6]C[4,6,6]C[5,6,6]C)(B[5]C[5]O[5]){1|Fe<10>,2|H<1>,5|C<4>}	105.5173	0.722	6	105.5173	0.522	6	105.6138	0.364	9	105.5128	0.491	11	105.7034	0.956	14	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:3:	C[5,6,6]-4:C[4,6,6]-4:O[5]-2:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:B[5]-3:	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5])(CH3)	C(C[5,6,6]C[4,6,6]C[5,6,6]O[5])(H)3	O[5](C[5,6,6]C[4,6,6]C[5,6,6]C)(B[5]C[6a]O[5])	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5])(CH3){1|C<3>,3|C<4>,4|H<1>}	C(C[5,6,6]C[4,6,6]C[5,6,6]O[5])(H)3	O[5](C[5,6,6]C[4,6,6]C[5,6,6]C)(B[5]C[6a]O[5]){2|C<3>,2|H<1>,3|C<4>}	105.6745	0.176	2	105.6745	0.031	2	105.6138	0.364	9	105.5128	0.491	11	105.7034	0.956	14	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:3:	C[5,6,6]-4:C[4,6,6]-4:O[5]-2:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:B[5]-3:	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5])(CH3)	C(C[5,6,6]C[4,6,6]C[5,6,6]O[5])(H)3	O[5](C[5,6,6]C[4,6,6]C[5,6,6]C)(B[5]O[5]C)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5])(CH3){4|C<4>,4|H<1>}	C(C[5,6,6]C[4,6,6]C[5,6,6]O[5])(H)3	O[5](C[5,6,6]C[4,6,6]C[5,6,6]C)(B[5]O[5]C){2|H<1>,3|C<4>}	106.0710	0.000	1	106.0710	0.000	1	105.6138	0.364	9	105.5128	0.491	11	105.7034	0.956	14	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6,6]	C	O[5]	4:4:2:4:	4:4:1:1:	4:3:	C[5,4x6]-4:C[3x6]-4:O[5]-2:C-4:	C[5,6,6]-4:C-4:H-1:H-1:	C[5,6,6]-4:C[5,6a]-3:	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(CCHH)	C(C[5,6,6]C[5,4x6]C[3x6]O[5])(CCHH)(H)2	O[5](C[5,6,6]C[5,4x6]C[3x6]C)(C[5,6a]C[5,6,6a]C[6a])	C[5,6,6](C[5,4x6]C[5,6,6a]C[5x6]C[6])(C[3x6]C[6,6]2O)(O[5]C[5,6a])(CCHH){3|C<4>,4|C<3>,4|H<1>}	C(C[5,6,6]C[5,4x6]C[3x6]O[5])(CCHH)(H)2	O[5](C[5,6,6]C[5,4x6]C[3x6]C)(C[5,6a]C[5,6,6a]C[6a]){2|O<2>,3|C<3>,3|C<4>}	104.4650	0.000	1	104.4650	0.000	1	104.4650	0.000	1	104.4650	0.000	1	105.7034	0.956	14	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	3:3:2:4:	4:1:1:1:	4:3:	C[5,6]-3:C[6]-3:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]O)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]O)(O[5]C[5])(CH3){1|H<1>,1|O<1>,3|C<3>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O){1|O<1>,3|C<3>}	108.3915	0.153	2	108.3915	0.024	2	108.3915	0.024	2	107.9013	0.733	3	106.7576	1.741	78	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	3:3:2:4:	4:1:1:1:	4:3:	C[6,6a]-3:N[5,6]-3:O[5]-2:C-4:	C[5,6]-4:Cl-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(CClHH)	C(C[5,6]C[6,6a]N[5,6]O[5])(Cl)(H)2	O[5](C[5,6]C[6,6a]N[5,6]C)(C[5]C[5]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(CClHH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C(C[5,6]C[6,6a]N[5,6]O[5])(Cl)(H)2	O[5](C[5,6]C[6,6a]N[5,6]C)(C[5]C[5]O){1|C<4>,3|C<3>}	106.9210	0.000	1	106.9210	0.000	1	106.9210	0.000	1	107.9013	0.733	3	106.7576	1.741	78	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	3:4:2:4:	4:1:1:1:	3:4:	C[5,6]-3:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6,6a])(C[5,6]C[5,6]O[5]C)(O[5]C[5,6a])(CH3)	C(C[5,6]C[5,6]2O[5])(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5,6a]C[6,6a])(C[5,6]C[5,6]O[5]C)(O[5]C[5,6a])(CH3){6|C<3>}	C(C[5,6]C[5,6]2O[5])(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	107.4425	0.859	4	107.4425	0.738	4	107.4425	0.738	4	107.4425	0.738	4	106.7576	1.741	78	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	3:4:2:4:	4:1:1:1:	4:3:	C[5,6]-3:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5a,6]N[5])(C[6]C[6]HH)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)	C[5,6](C[5,6]C[5a,6]N[5])(C[6]C[6]HH)(O[5]C[5])(CH3){1|C<3>,1|O<1>,1|S<2>,2|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O){1|C<3>,1|C<4>,2|H<1>}	107.4190	0.000	1	107.4190	0.000	1	107.4190	0.000	1	107.1493	0.209	10	106.7576	1.741	78	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	3:4:2:4:	4:1:1:1:	4:3:	C[5a,6]-3:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3)	C(C[5,6]C[5a,6]C[5,6]O[5])(H)3	O[5](C[5,6]C[5a,6]C[5,6]C)(C[5]C[5]O)	C[5,6](C[5a,6]N[5a,6]N[5a])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3){1|C<4>,1|O<1>,2|C<3>,2|F<1>,2|H<1>}	C(C[5,6]C[5a,6]C[5,6]O[5])(H)3	O[5](C[5,6]C[5a,6]C[5,6]C)(C[5]C[5]O){1|C<4>,1|N<2>,1|N<3>,3|H<1>}	108.0290	0.000	1	108.0290	0.000	1	108.0290	0.000	1	107.1493	0.209	10	106.7576	1.741	78	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	3:4:2:4:	4:1:1:1:	4:3:	C[6,6]-3:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6,6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]O)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3){1|C<3>,1|O<1>,3|H<1>,5|C<4>}	C(C[5,6]C[5,6]C[6,6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]O){1|C<3>,1|H<1>,4|C<4>}	106.6860	0.000	1	106.6860	0.000	1	106.6860	0.000	1	107.1493	0.209	10	106.7576	1.741	78	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	3:4:2:4:	4:1:1:1:	4:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6]C)(O[5]C[5,6a])(CH3)	C(C[5,6]C[6,6a]C[5,6]O[5])(H)3	O[5](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[5,6a]C[6a])	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6]C)(O[5]C[5,6a])(CH3){1|C<4>,1|H<1>,5|C<3>}	C(C[5,6]C[6,6a]C[5,6]O[5])(H)3	O[5](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[5,6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	106.9400	0.000	1	106.9400	0.000	1	106.9400	0.000	1	107.1493	0.209	10	106.7576	1.741	78	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	3:4:2:4:	4:1:1:1:	4:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CC)(O[5]C[5])(CH3)	C(C[5,6]C[6,6a]C[5,6]O[5])(H)3	O[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5,6]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CC)(O[5]C[5])(CH3){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C(C[5,6]C[6,6a]C[5,6]O[5])(H)3	O[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5,6]O){1|H<1>,1|N<3>,4|C<3>}	106.9070	0.000	1	106.9070	0.000	1	107.1583	0.068	3	107.1493	0.209	10	106.7576	1.741	78	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	3:4:2:4:	4:1:1:1:	4:3:	C[6,6a]-3:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3)	C(C[5,6]C[6,6a]C[5,6]O[5])(H)3	O[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]O)	C[5,6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C(C[5,6]C[6,6a]C[5,6]O[5])(H)3	O[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	107.2840	0.204	2	107.2840	0.041	2	107.1583	0.068	3	107.1493	0.209	10	106.7576	1.741	78	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	3:4:2:4:	4:1:1:1:	4:3:	N[5,6]-3:C[6]-4:O[5]-2:C-4:	C[5,6]-4:F-1:F-1:F-1:	C[5,6]-4:C[5]-3:	C[5,6](N[5,6]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(CF3)	C(C[5,6]N[5,6]C[6]O[5])(F)3	O[5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6]O)	C[5,6](N[5,6]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(CF3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[5,6]N[5,6]C[6]O[5])(F)3	O[5](C[5,6]N[5,6]C[6]C)(C[5]C[5,6]O){1|C<3>,2|C<4>,3|H<1>}	106.3740	0.000	1	106.3740	0.000	1	106.3740	0.000	1	107.1493	0.209	10	106.7576	1.741	78	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	3:4:2:4:	4:1:1:1:	4:3:	N[5,6]-3:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(O[5]C[5])(CH3)	C(C[5,6]N[5,6]C[6]O[5])(H)3	O[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(O[5]C[5])(CH3){2|C<3>,2|C<4>,2|O<1>}	C(C[5,6]N[5,6]C[6]O[5])(H)3	O[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]O){2|C<3>,2|C<4>,2|H<1>}	107.2540	0.000	1	107.2540	0.000	1	107.2850	0.002	2	107.1493	0.209	10	106.7576	1.741	78	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	3:4:2:4:	4:1:1:1:	4:3:	N[5,6]-3:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(CH3)	C(C[5,6]N[5,6]C[6]O[5])(H)3	O[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(CH3){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C(C[5,6]N[5,6]C[6]O[5])(H)3	O[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]O){1|C<3>,2|C<4>,3|H<1>}	107.3160	0.000	1	107.3160	0.000	1	107.2850	0.002	2	107.1493	0.209	10	106.7576	1.741	78	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	3:4:4:2:	4:3:1:1:	4:3:	C[5,6,6a]-3:C[6]-4:C-4:O[5]-2:	C[5,6]-4:C[6a]-3:Br-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(CC[6a]BrH)(O[5]C[5])	C(C[5,6]C[5,6,6a]C[6]O[5])(C[6a]C[6a]2)(Br)(H)	O[5](C[5,6]C[5,6,6a]C[6]C)(C[5]C[5,6a]O)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(CC[6a]BrH)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[5,6]C[5,6,6a]C[6]O[5])(C[6a]C[6a]2)(Br)(H)	O[5](C[5,6]C[5,6,6a]C[6]C)(C[5]C[5,6a]O){1|C<4>,2|C<3>,2|H<1>}	107.9120	0.000	1	107.9120	0.000	1	107.9120	0.000	1	107.9120	0.000	1	106.7576	1.741	78	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	3:4:4:2:	4:3:3:1:	4:3:	C[5,6]-3:C[6]-4:C-4:O[5]-2:	C[5,6]-4:C[6a]-3:N-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(CC[6a]HN)(O[5]C[5])	C(C[5,6]C[5,6]C[6]O[5])(C[6a]C[6a]2)(NCH)(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(CC[6a]HN)(O[5]C[5]){1|C<4>,1|O<1>,5|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(C[6a]C[6a]2)(NCH)(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O){2|C<4>,3|H<1>}	106.7630	0.000	1	106.7630	0.000	1	106.7630	0.000	1	106.7630	0.000	1	106.7576	1.741	78	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	4:2:2:4:	4:1:1:1:	4:3:	C[5,6]-4:O[5]-2:O[6]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]CH)(O[5]C[5])(O[6]C[6])(CH3)	C(C[5,6]C[5,6]O[5]O[6])(H)3	O[5](C[5,6]C[5,6]O[6]C)(C[5]C[5,6]N)	C[5,6](C[5,6]C[5,6]CH)(O[5]C[5])(O[6]C[6])(CH3){1|C<2>,1|H<1>,1|N<2>,2|C<4>}	C(C[5,6]C[5,6]O[5]O[6])(H)3	O[5](C[5,6]C[5,6]O[6]C)(C[5]C[5,6]N){1|C<2>,1|H<1>,3|C<4>}	108.9350	0.000	1	108.9350	0.000	1	108.9350	0.000	1	108.9015	0.002	2	106.7576	1.741	78	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	4:2:2:4:	4:1:1:1:	4:3:	C[5,6]-4:O[6]-2:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]N[5]C)(O[6]C[6,6a])(O[5]C[5])(CH3)	C(C[5,6]C[5,6]O[5]O[6])(H)3	O[5](C[5,6]C[5,6]O[6]C)(C[5]N[5]H)	C[5,6](C[5,6]C[6]N[5]C)(O[6]C[6,6a])(O[5]C[5])(CH3){2|H<1>,3|C<3>}	C(C[5,6]C[5,6]O[5]O[6])(H)3	O[5](C[5,6]C[5,6]O[6]C)(C[5]N[5]H){1|C<4>,2|C<3>}	108.8680	0.000	1	108.8680	0.000	1	108.8680	0.000	1	108.9015	0.002	2	106.7576	1.741	78	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	4:2:2:4:	4:2:1:1:	4:3:	C[5,6]-4:O[5]-2:O[6]-2:C-4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:B[5]-3:	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]B[5])(O[6]C[6])(CHHO)	C(C[5,6]C[5,6]O[5]O[6])(OH)(H)2	O[5](C[5,6]C[5,6]O[6]C)(B[5]C[6a]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]B[5])(O[6]C[6])(CHHO){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C(C[5,6]C[5,6]O[5]O[6])(OH)(H)2	O[5](C[5,6]C[5,6]O[6]C)(B[5]C[6a]O[5]){1|H<1>,2|C<3>,2|C<4>}	109.4330	0.000	1	109.4330	0.000	1	109.4330	0.000	1	109.4330	0.000	1	106.7576	1.741	78	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	4:2:3:4:	4:1:1:1:	3:4:	C[5,6]-4:O[5]-2:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]H)(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C){1|C<4>,2|H<1>,4|C<3>}	106.3890	0.649	2	106.3890	0.421	2	106.3890	0.421	2	106.3890	0.421	2	106.7576	1.741	78	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5,6]-4:O[5]-2:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]O[6]H)(O[5]C[5,6a])(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)	C[5,6](C[5,6]C[5,6a]O[6]H)(O[5]C[5,6a])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	106.8940	0.000	1	106.8940	0.000	1	106.8940	0.000	1	106.8940	0.000	1	106.7576	1.741	78	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	4:2:4:4:	4:2:1:1:	3:4:	C[5,6]-4:O[5]-2:C[6]-4:C-4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]HO)(CHHO)	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]HO)(CHHO){3|C<3>,3|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C){1|C<4>,1|O<2>,1|S<4>,2|H<1>,3|C<3>}	108.0440	0.000	1	108.0440	0.000	1	108.0440	0.000	1	108.0440	0.000	1	106.7576	1.741	78	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	4:3:2:4:	4:1:1:1:	3:4:	C[5,6]-4:C[5,6]-3:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(O[5]C[5,6])(CH3)	C(C[5,6]C[5,6]2O[5])(H)3	O[5](C[5,6]C[5,6]C[6])(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(O[5]C[5,6])(CH3){1|C<3>,3|H<1>,6|C<4>}	C(C[5,6]C[5,6]2O[5])(H)3	O[5](C[5,6]C[5,6]C[6])(C[5,6]C[5,6]2C){2|C<3>,2|H<1>,4|C<4>}	108.1810	0.000	1	108.1810	0.000	1	108.1810	0.000	1	108.1810	0.000	1	106.7576	1.741	78	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	4:3:2:4:	4:1:1:1:	4:3:	C[5,6,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C(C[5,6]C[5,6,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]O)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C(C[5,6]C[5,6,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]O){1|C<4>,2|C<3>,2|H<1>}	108.1960	0.000	1	108.0320	0.054	2	108.0320	0.054	2	106.6589	1.397	13	106.7576	1.741	78	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	4:3:2:4:	4:1:1:1:	4:3:	C[5,6,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C(C[5,6]C[5,6,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]O)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|H<1>,1|O<1>,3|C<3>}	C(C[5,6]C[5,6,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]O){2|H<1>,3|C<3>}	107.8680	0.000	1	108.0320	0.054	2	108.0320	0.054	2	106.6589	1.397	13	106.7576	1.741	78	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	4:3:2:4:	4:1:1:1:	4:3:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:F-1:F-1:F-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CF3)	C(C[5,6]C[5,6]C[6]O[5])(F)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CF3){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(F)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	104.4480	0.000	1	104.4480	0.000	1	104.4480	0.000	1	106.6589	1.397	13	106.7576	1.741	78	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	4:3:2:4:	4:1:1:1:	4:3:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	106.2458	0.127	4	106.2458	0.016	4	106.6054	0.891	10	106.6589	1.397	13	106.7576	1.741	78	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	4:3:2:4:	4:1:1:1:	4:3:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]C[5])(CH3){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	108.3060	0.000	1	106.4163	2.790	3	106.6054	0.891	10	106.6589	1.397	13	106.7576	1.741	78	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	4:3:2:4:	4:1:1:1:	4:3:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]C[5])(CH3){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	105.4715	0.473	2	106.4163	2.790	3	106.6054	0.891	10	106.6589	1.397	13	106.7576	1.741	78	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	4:3:2:4:	4:1:1:1:	4:3:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[6]O)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]C)	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[6]O)(O[5]C[5])(CH3){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]C){1|C<3>,1|O<1>,2|C<4>}	107.7900	0.000	1	107.7900	0.000	1	106.6054	0.891	10	106.6589	1.397	13	106.7576	1.741	78	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	4:3:2:4:	4:1:1:1:	4:3:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O){1|C<4>,2|C<3>,2|H<1>}	107.1330	0.000	1	107.1330	0.000	1	106.6054	0.891	10	106.6589	1.397	13	106.7576	1.741	78	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	4:3:2:4:	4:1:1:1:	4:3:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]N[5]O)(C[6]C[6]C)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]C)	C[5,6](C[5,6]C[6]N[5]O)(C[6]C[6]C)(O[5]C[5])(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]C){1|C<4>,1|O<2>,2|C<3>}	106.8990	0.000	1	106.8990	0.000	1	106.6054	0.891	10	106.6589	1.397	13	106.7576	1.741	78	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	4:3:2:4:	4:4:4:1:	4:3:	C[3,5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:C-4:C-4:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6]C[6]H)(O[5]C[5])(CCCH)	C(C[5,6]C[3,5,6]C[6]O[5])(CH3)2(H)	O[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]O)	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6]C[6]H)(O[5]C[5])(CCCH){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	C(C[5,6]C[3,5,6]C[6]O[5])(CH3)2(H)	O[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5]O){1|C<4>,2|C<3>,2|H<1>}	106.6570	0.000	1	106.6570	0.000	1	106.6570	0.000	1	106.6570	0.000	1	106.7576	1.741	78	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	3:4:	C[5,6]-4:C[3,6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[3,6]C[3,6]O[3]H)(O[5]C[5,6a])(CH3)	C(C[5,6]C[3,6]C[5,6]O[5])(H)3	O[5](C[5,6a]C[5,6a]C[6,6a])(C[5,6]C[3,6]C[5,6]C)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[3,6]C[3,6]O[3]H)(O[5]C[5,6a])(CH3){1|C<4>,2|C<3>,3|H<1>}	C(C[5,6]C[3,6]C[5,6]O[5])(H)3	O[5](C[5,6a]C[5,6a]C[6,6a])(C[5,6]C[3,6]C[5,6]C){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	106.5200	0.000	1	106.5200	0.000	1	106.5200	0.000	1	106.5200	0.000	1	106.7576	1.741	78	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:2:	C[5,5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:N[5]-2:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]N[5])(CH3)	C(C[5,6]C[5,5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,5,6]C[6]C)(N[5]C[5,5])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]N[5])(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C(C[5,6]C[5,5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,5,6]C[6]C)(N[5]C[5,5]){1|C<3>,2|C<4>,3|H<1>}	106.0840	0.000	1	106.0840	0.000	1	106.0840	0.000	1	106.0840	0.000	1	106.7576	1.741	78	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:3:	C[4x5,6,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[4x5,6,6]C[3x5,3x6]C[3x5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(CH3)	C(C[5,6]C[4x5,6,6]C[6]O[5])(H)3	O[5](C[5,6]C[4x5,6,6]C[6]C)(C[5]C[3x5,3x6]O)	C[5,6](C[4x5,6,6]C[3x5,3x6]C[3x5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(CH3){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C(C[5,6]C[4x5,6,6]C[6]O[5])(H)3	O[5](C[5,6]C[4x5,6,6]C[6]C)(C[5]C[3x5,3x6]O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	107.1610	0.000	1	107.1610	0.000	1	107.1610	0.000	1	106.1930	2.353	30	106.7576	1.741	78	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:3:	C[5,5,6]-4:C[6,6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6]C[6,6]O[6]H)(O[5]C[5])(CH3)	C(C[5,6]C[5,5,6]C[6,6]O[5])(H)3	O[5](C[5,6]C[5,5,6]C[6,6]C)(C[5]C[5]O)	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[6,6]C[6,6]O[6]H)(O[5]C[5])(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C(C[5,6]C[5,5,6]C[6,6]O[5])(H)3	O[5](C[5,6]C[5,5,6]C[6,6]C)(C[5]C[5]O){2|C<4>,2|H<1>,3|O<2>}	107.7290	0.000	1	107.7290	0.000	1	107.7290	0.000	1	106.1930	2.353	30	106.7576	1.741	78	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:3:	C[5,5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-3:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(O[5]C[5,6])(CH3)	C(C[5,6]C[5,5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,5,6]C[6]C)(C[5,6]C[5,5,6]C[6])	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(O[5]C[5,6])(CH3){2|C<3>,2|C<4>,4|H<1>}	C(C[5,6]C[5,5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,5,6]C[6]C)(C[5,6]C[5,5,6]C[6]){3|C<3>,3|C<4>,3|H<1>}	106.7420	0.000	1	106.7420	0.000	1	106.7420	0.000	1	106.1930	2.353	30	106.7576	1.741	78	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:3:	C[5,5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(CH3)	C(C[5,6]C[5,5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C(C[5,6]C[5,5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]O){1|C<3>,2|C<4>,4|H<1>}	107.6295	0.757	2	107.6295	0.574	2	107.6295	0.574	2	106.1930	2.353	30	106.7576	1.741	78	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:3:	C[5,6,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6]HH)(O[5]C[5])(CH3)	C(C[5,6]C[5,6,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6,6]C[6]C)(C[5]O[5]O)	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[6]C[6]HH)(O[5]C[5])(CH3){1|O<1>,4|C<4>,4|H<1>}	C(C[5,6]C[5,6,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6,6]C[6]C)(C[5]O[5]O){2|H<1>,3|C<4>}	105.1750	0.000	1	105.1750	0.000	1	105.1750	0.000	1	106.1930	2.353	30	106.7576	1.741	78	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:3:	C[5,6]-4:C[3,6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6a]-3:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[3,6]C[3,6]O[3]H)(O[5]C[5,6a])(CH3)	C(C[5,6]C[3,6]C[5,6]O[5])(H)3	O[5](C[5,6]C[3,6]C[5,6]C)(C[5,6a]C[5,6a]C[6a])	C[5,6](C[5,6]C[5,6a]C[6]H)(C[3,6]C[3,6]O[3]H)(O[5]C[5,6a])(CH3){1|C<4>,2|C<3>,3|H<1>}	C(C[5,6]C[3,6]C[5,6]O[5])(H)3	O[5](C[5,6]C[3,6]C[5,6]C)(C[5,6a]C[5,6a]C[6a]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	106.3540	0.432	3	106.3540	0.187	3	106.3540	0.187	3	106.1930	2.353	30	106.7576	1.741	78	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:B[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]B[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(B[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]B[5])(CH3){1|O<1>,3|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(B[5]C[5]O){2|C<4>,5|H<1>}	104.3960	0.000	1	104.3960	0.000	1	104.9733	0.270	3	106.1930	2.353	30	106.7576	1.741	78	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:B[5]-3:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]B[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(B[5]C[5]O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]B[5])(CH3){1|O<2>,3|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(B[5]C[5]O){2|C<4>,5|H<1>}	105.2620	0.199	2	105.2620	0.040	2	104.9733	0.270	3	106.1930	2.353	30	106.7576	1.741	78	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HO)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HO)(O[5]C[5])(CH3){1|H<1>,1|O<1>,2|C<3>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O){1|O<2>,2|C<3>,4|H<1>}	108.6770	0.000	1	108.6770	0.000	1	106.2571	2.448	12	106.1930	2.353	30	106.7576	1.741	78	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6,6a]HH)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6,6a]HH)(O[5]C[5])(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O){1|O<2>,2|C<3>,4|H<1>}	107.0850	0.000	1	107.0850	0.000	1	106.2571	2.448	12	106.1930	2.353	30	106.7576	1.741	78	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(O[5]C[5])(CH3){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	107.3640	0.000	1	107.3640	0.000	1	106.2571	2.448	12	106.1930	2.353	30	106.7576	1.741	78	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]HH)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]HH)(O[5]C[5])(CH3){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C){1|C<3>,1|N<3>,4|H<1>}	107.3020	0.000	1	107.3020	0.000	1	106.2571	2.448	12	106.1930	2.353	30	106.7576	1.741	78	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O){1|N<3>,2|C<4>,4|H<1>}	108.7150	0.000	1	108.7150	0.000	1	106.2571	2.448	12	106.1930	2.353	30	106.7576	1.741	78	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O){1|O<2>,2|C<4>,4|H<1>}	104.5085	0.093	2	105.0142	0.520	6	106.2571	2.448	12	106.1930	2.353	30	106.7576	1.741	78	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3){1|O<1>,3|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O){2|C<4>,5|H<1>}	105.2670	0.779	4	105.0142	0.520	6	106.2571	2.448	12	106.1930	2.353	30	106.7576	1.741	78	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]S[5]S)	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3){1|C<4>,1|S<1>,4|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]S[5]S){2|C<4>,3|H<1>}	105.8570	0.000	1	105.8570	0.000	1	106.2571	2.448	12	106.1930	2.353	30	106.7576	1.741	78	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:I-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(O[5]C[5])(CHHI)	C(C[5,6]C[5,6]C[6]O[5])(H)2(I)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(O[5]C[5])(CHHI){1|C<4>,1|O<1>,6|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)2(I)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O){3|C<4>,4|H<1>}	107.5930	0.000	1	107.5930	0.000	1	107.5930	0.000	1	106.1930	2.353	30	106.7576	1.741	78	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:3:	C[6,6]-4:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6,6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]O)	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3){1|C<3>,2|H<1>,2|O<1>,5|C<4>}	C(C[5,6]C[5,6]C[6,6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	104.1483	2.153	3	104.1483	4.633	3	104.1483	4.633	3	106.1930	2.353	30	106.7576	1.741	78	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:3:	C[6]-4:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[5a,6]C[6a]H)(C[5,6]C[5]N[6]H)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)	C[5,6](C[6]C[5a,6]C[6a]H)(C[5,6]C[5]N[6]H)(O[5]C[5])(CH3){1|O<1>,1|O<2>,1|S<4>,2|H<1>,3|C<3>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O){1|N<3>,2|C<3>,4|H<1>}	107.6320	0.000	1	107.6320	0.000	1	107.3100	0.207	2	106.1930	2.353	30	106.7576	1.741	78	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:3:	C[6]-4:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]H)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]H)(O[5]C[5])(CH3){1|C<4>,1|H<1>,4|C<3>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C){1|O<2>,2|C<3>,3|H<1>}	106.9880	0.000	1	106.9880	0.000	1	107.3100	0.207	2	106.1930	2.353	30	106.7576	1.741	78	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:3:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HH)(O[5]C[5])(CC[6]HH)	C(C[5,6]C[5,6]C[6]O[5])(C[6]C[6]2)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HH)(O[5]C[5])(CC[6]HH){1|O<1>,2|C<4>,2|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(C[6]C[6]2)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O){1|C<3>,3|C<4>,3|H<1>}	106.4775	1.595	2	106.4775	2.543	2	106.4775	2.543	2	106.4775	2.543	2	106.7576	1.741	78	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6a]C[6]H)(O[5]C[5])(CCHH)	C(C[5,6]C[5,6]C[6]O[5])(CH3)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6a]C[6]H)(O[5]C[5])(CCHH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(CH3)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]O){1|C<3>,3|C<4>,3|H<1>}	105.8490	0.000	1	105.8490	0.000	1	106.5827	0.539	3	106.5827	0.539	3	106.7576	1.741	78	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(O[5]C[5])(CCHH)	C(C[5,6]C[5,6]C[6]O[5])(CCHH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(O[5]C[5])(CCHH){1|Br<1>,1|O<1>,2|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(CCHH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O){1|Br<1>,1|O<2>,2|H<1>,3|C<4>}	106.5820	0.000	1	106.9495	0.270	2	106.5827	0.539	3	106.5827	0.539	3	106.7576	1.741	78	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(O[5]C[5])(CCHH)	C(C[5,6]C[5,6]C[6]O[5])(CCHH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HO)(O[5]C[5])(CCHH){1|O<1>,2|C<4>,5|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(CCHH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O){1|O<2>,3|C<4>,3|H<1>}	107.3170	0.000	1	106.9495	0.270	2	106.5827	0.539	3	106.5827	0.539	3	106.7576	1.741	78	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	2:2:4:1:	4:4:4:4:	4:3:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-3:	C[5](O[5]C[5])2(CC3)(H)	C(C[5]O[5]2H)(CH3)3	O[5](C[5]O[5]CH)(C[5]C[5]O)	C[5](O[5]C[5])2(CC3)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[5]O[5]2H)(CH3)3	O[5](C[5]O[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>}	110.8600	0.062	2	111.1587	0.270	3	111.1587	0.270	3	111.1587	0.270	3	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	2:2:4:1:	4:4:4:4:	4:3:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-3:	C[5](O[5]C[5])2(CC3)(H)	C(C[5]O[5]2H)(CH3)3	O[5](C[5]O[5]CH)(C[5]C[5]O)	C[5](O[5]C[5])2(CC3)(H){1|C<4>,1|O<1>,1|S<2>}	C(C[5]O[5]2H)(CH3)3	O[5](C[5]O[5]CH)(C[5]C[5]O){1|C<4>,1|S<2>}	111.7560	0.000	1	111.1587	0.270	3	111.1587	0.270	3	111.1587	0.270	3	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	2:2:4:2:	4:1:1:1:	3:4:	O[5]-2:O[5]-2:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](O[5]C[5,5])(O[5]C[5])(CH3)(OC)	C(C[5]O[5]2O)(H)3	O[5](C[5]C[5,5]C)(C[5]O[5]CO)	C[5](O[5]C[5,5])(O[5]C[5])(CH3)(OC){1|C<3>,2|C<4>}	C(C[5]O[5]2O)(H)3	O[5](C[5]C[5,5]C)(C[5]O[5]CO){2|C<4>}	109.5790	0.153	2	109.5790	0.023	2	109.5790	0.023	2	109.5790	0.023	2	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	2:2:4:3:	4:1:1:1:	4:3:	O[5]-2:O[5]-2:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](O[5]C[5])2(CH3)(COO)	C(C[5]O[5]2C)(H)3	O[5](C[5]O[5]CC)(C[5]C[5]O)	C[5](O[5]C[5])2(CH3)(COO){1|C<4>,1|H<1>,1|O<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]O[5]CC)(C[5]C[5]O){1|C<4>,1|H<1>}	110.3710	0.000	1	110.3710	0.000	1	110.3710	0.000	1	110.3710	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	2:2:4:3:	4:4:4:4:	4:3:	O[5]-2:O[5]-2:C-4:C-3:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-3:	C[5](O[5]C[5])2(CC3)(COO)	C(C[5]O[5]2C)(CH3)3	O[5](C[5]O[5]CC)(C[5]C[5]O)	C[5](O[5]C[5])2(CC3)(COO){1|C<4>,1|O<1>,1|O<2>}	C(C[5]O[5]2C)(CH3)3	O[5](C[5]O[5]CC)(C[5]C[5]O){1|C<4>,1|O<2>}	109.3620	0.000	1	109.3620	0.000	1	109.3620	0.000	1	109.3620	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	3:4:	N[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:	C[5](N[5]C[5,6])(O[5]C[5,6])(CH3)2	C(C[5]N[5]O[5]C)(H)3	O[5](C[5,6]C[5,6]C[6])(C[5]N[5]CC)	C[5](N[5]C[5,6])(O[5]C[5,6])(CH3)2{2|C<3>}	C(C[5]N[5]O[5]C)(H)3	O[5](C[5,6]C[5,6]C[6])(C[5]N[5]CC){1|F<1>,2|C<3>}	106.8375	0.070	2	107.4240	0.642	4	107.4240	0.642	4	108.8621	1.216	83	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	3:4:	N[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:	C[5](N[5]C[5,6])(O[5]C[5,6])(CH3)2	C(C[5]N[5]O[5]C)(H)3	O[5](C[5,6]C[5,6]C[6])(C[5]N[5]CC)	C[5](N[5]C[5,6])(O[5]C[5,6])(CH3)2{2|C<3>}	C(C[5]N[5]O[5]C)(H)3	O[5](C[5,6]C[5,6]C[6])(C[5]N[5]CC){3|C<3>}	108.0105	0.738	2	107.4240	0.642	4	107.4240	0.642	4	108.8621	1.216	83	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	3:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-3:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5])(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5])(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	109.3995	1.528	2	109.3995	2.335	2	109.3995	2.335	2	108.8621	1.216	83	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	3:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6])(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,1|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6])(C[5]O[5]CC){1|H<1>,1|O<2>,2|C<4>}	109.2135	0.080	2	109.2135	0.006	2	109.2135	0.006	2	108.8621	1.216	83	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	3:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](O[5]C[5,6a])2(CCHH)(CH3)	C(C[5]O[5]2C)(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)	C[5](O[5]C[5,6a])2(CCHH)(CH3){2|C<3>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC){3|C<3>}	109.4630	0.666	2	109.4630	0.444	2	108.8819	1.272	65	108.8621	1.216	83	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	3:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](O[5]C[5,6a])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]CC)	C[5](O[5]C[5,6a])2(CH3)2{2|C<3>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6a]C[5,6a]2)(C[5]O[5]CC){1|C<4>,2|C<3>}	108.7022	2.595	8	108.7022	6.737	8	108.8819	1.272	65	108.8621	1.216	83	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	3:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](O[5]C[5,6a])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)	C[5](O[5]C[5,6a])2(CH3)2{2|C<3>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC){1|C<4>,2|C<3>}	108.8040	1.694	8	108.8626	0.748	41	108.8819	1.272	65	108.8621	1.216	83	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	3:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](O[5]C[5,6a])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)	C[5](O[5]C[5,6a])2(CH3)2{2|C<3>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC){1|H<1>,2|C<3>}	108.8627	0.531	29	108.8626	0.748	41	108.8819	1.272	65	108.8621	1.216	83	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	3:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](O[5]C[5,6a])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)	C[5](O[5]C[5,6a])2(CH3)2{2|C<3>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC){1|O<2>,2|C<3>}	108.6305	0.936	2	108.8626	0.748	41	108.8819	1.272	65	108.8621	1.216	83	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	3:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](O[5]C[5,6a])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)	C[5](O[5]C[5,6a])2(CH3)2{2|C<3>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC){3|C<3>}	109.3285	0.698	2	108.8626	0.748	41	108.8819	1.272	65	108.8621	1.216	83	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	3:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](O[5]C[5,6a])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CC)	C[5](O[5]C[5,6a])2(CH3)2{2|C<3>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CC){3|C<3>}	108.9579	0.471	14	108.9579	0.222	14	108.8819	1.272	65	108.8621	1.216	83	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	3:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](O[5]C[4,5])(O[5]C[5])(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[4,5]O)(C[5]O[5]CC)	C[5](O[5]C[4,5])(O[5]C[5])(CH3)2{1|C<3>,1|C<4>,1|O<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[4,5]O)(C[5]O[5]CC){1|C<3>,1|C<4>}	109.1307	0.684	10	109.1307	0.468	10	109.1307	0.468	10	108.8621	1.216	83	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	2:2:4:4:	4:3:1:1:	3:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](O[5]C[5,6a])2(CCHH)(CH3)	C(C[5]O[5]2C)(CC[6a]N)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)	C[5](O[5]C[5,6a])2(CCHH)(CH3){2|C<3>}	C(C[5]O[5]2C)(CC[6a]N)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC){3|C<3>}	109.3040	0.570	2	109.3040	0.325	2	109.3040	0.325	2	109.3040	0.325	2	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	2:2:4:4:	4:4:1:1:	3:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](O[5]C[5,6a])2(CCHH)2	C(C[5]O[5]2C)(CCCH)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)	C[5](O[5]C[5,6a])2(CCHH)2{2|C<3>}	C(C[5]O[5]2C)(CCCH)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC){1|H<1>,2|C<3>}	109.0740	1.299	4	109.0740	1.688	4	109.0740	1.688	4	109.0740	1.688	4	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:2:4:	4:1:1:1:	4:3:	C[6a]-3:N[5]-2:O[5]-2:C-4:	C[5]-4:F-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])(CFHH)	C(C[5]C[6a]N[5]O[5])(F)(H)2	O[5](C[5]C[6a]N[5]C)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])(CFHH){1|O<1>,2|H<1>,3|C<3>}	C(C[5]C[6a]N[5]O[5])(F)(H)2	O[5](C[5]C[6a]N[5]C)(C[5]C[5]O){3|C<3>}	106.6430	0.000	1	106.6430	0.000	1	106.6430	0.000	1	106.2007	0.157	4	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:2:4:	4:1:1:1:	4:3:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(O[5]C[5])2(CF3)	C(C[5]C[6a]O[5]2)(F)3	O[5](C[5]C[6a]O[5]C)(C[5]C[5]C)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CF3){1|C<4>,2|H<1>,4|C<3>}	C(C[5]C[6a]O[5]2)(F)3	O[5](C[5]C[6a]O[5]C)(C[5]C[5]C){1|C<4>,3|C<3>}	105.9955	0.435	2	106.0533	0.105	3	106.0533	0.105	3	106.2007	0.157	4	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:2:4:	4:1:1:1:	4:3:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(O[5]C[5])2(CF3)	C(C[5]C[6a]O[5]2)(F)3	O[5](C[5]C[6a]O[5]C)(C[5]C[5]C)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CF3){2|C<4>,2|H<1>,3|C<3>}	C(C[5]C[6a]O[5]2)(F)3	O[5](C[5]C[6a]O[5]C)(C[5]C[5]C){2|C<3>,2|C<4>}	106.1690	0.000	1	106.0533	0.105	3	106.0533	0.105	3	106.2007	0.157	4	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:2:4:	4:3:1:1:	4:3:	C[6a]-3:N[5]-2:O[5]-2:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])(CCHH)	C(C[5]C[6a]N[5]O[5])(CCH)(H)2	O[5](C[5]C[6a]N[5]C)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])(CCHH){1|O<1>,2|H<1>,3|C<3>}	C(C[5]C[6a]N[5]O[5])(CCH)(H)2	O[5](C[5]C[6a]N[5]C)(C[5]C[5]O){3|C<3>}	107.1830	0.000	1	107.1830	0.000	1	107.1830	0.000	1	107.1830	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:2:4:	4:4:1:1:	4:3:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(O[5]C[5])2(CCHH)	C(C[5]C[6a]O[5]2)(CCHH)(H)2	O[5](C[5]C[6a]O[5]C)(C[5]C[5]N)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CCHH){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>}	C(C[5]C[6a]O[5]2)(CCHH)(H)2	O[5](C[5]C[6a]O[5]C)(C[5]C[5]N){2|C<3>,2|C<4>}	108.4700	0.000	1	108.4700	0.000	1	108.4700	0.000	1	108.4700	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:1:1:1:	4:3:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:Cl-1:Cl-1:Cl-1:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCl3)(H)	C(C[5]C[5,6a]O[5]H)(Cl)3	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCl3)(H){1|O<1>,1|O<2>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(Cl)3	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O){2|C<3>}	105.5440	0.243	2	105.5440	0.059	2	105.5440	0.059	2	108.7377	4.034	12	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:1:1:1:	4:3:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CF3)(H)	C(C[5]C[5,6a]O[5]H)(F)3	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CF3)(H){1|H<1>,1|N<2>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(F)3	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C){1|C<3>,1|N<2>}	107.2690	0.000	1	107.2690	0.000	1	107.2690	0.000	1	108.7377	4.034	12	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:1:1:1:	4:3:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)(H)	C(C[5]C[5,6a]O[5]H)(H)3	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)(H){1|H<1>,1|N<2>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(H)3	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N){2|C<3>}	109.5240	0.000	1	109.5240	0.000	1	108.9520	0.654	2	108.7377	4.034	12	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:1:1:1:	4:3:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)(H)	C(C[5]C[5,6a]O[5]H)(H)3	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(H)3	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O){2|C<3>}	108.3800	0.000	1	108.3800	0.000	1	108.9520	0.654	2	108.7377	4.034	12	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:1:1:1:	4:3:	C[5,6a]-3:O[5]-2:C-4:O-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6,6a])(O[5]C[5])(CH3)(O)	C(C[5]C[5,6a]O[5]O)(H)3	O[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6,6a])(O[5]C[5])(CH3)(O){1|O<1>,1|O<2>,2|C<3>}	C(C[5]C[5,6a]O[5]O)(H)3	O[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O){2|C<3>}	108.6040	0.000	1	108.6040	0.000	1	108.6040	0.000	1	108.7377	4.034	12	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:1:1:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CH3)(H){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|H<1>}	109.4200	0.000	1	109.4200	0.000	1	109.6320	0.090	2	108.7377	4.034	12	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:1:1:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]O)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>}	109.8440	0.000	1	109.8440	0.000	1	109.6320	0.090	2	108.7377	4.034	12	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:1:1:1:	4:3:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5]-4:Cl-1:Cl-1:Cl-1:	C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CCl3)(H)	C(C[5]N[5,5]O[5]H)(Cl)3	O[5](C[5]N[5,5]CH)(C[5]C[5,5]O)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CCl3)(H){1|H<1>,2|C<4>,2|O<1>}	C(C[5]N[5,5]O[5]H)(Cl)3	O[5](C[5]N[5,5]CH)(C[5]C[5,5]O){1|C<3>,1|C<4>,1|H<1>}	108.3350	0.000	1	108.3350	0.000	1	108.3350	0.000	1	108.7377	4.034	12	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:1:1:1:	4:3:	N[5,5a]-3:O[5]-2:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[5]-3:	C[5](N[5,5a]C[5,5a]C[5a])(O[5]C[5])(CF3)(H)	C(C[5]N[5,5a]O[5]H)(F)3	O[5](C[5]N[5,5a]CH)(C[5]C[5,5a]O)	C[5](N[5,5a]C[5,5a]C[5a])(O[5]C[5])(CF3)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]N[5,5a]O[5]H)(F)3	O[5](C[5]N[5,5a]CH)(C[5]C[5,5a]O){2|C<3>}	108.7330	0.000	1	108.7330	0.000	1	108.7330	0.000	1	108.7377	4.034	12	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:1:1:1:	4:3:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5]O)(O[5]C[5])(CH3)(H)	C(C[5]N[5]O[5]H)(H)3	O[5](C[5]N[5]CH)(C[5]C[5]O)	C[5](N[5]C[5]O)(O[5]C[5])(CH3)(H){1|C<3>,1|O<1>}	C(C[5]N[5]O[5]H)(H)3	O[5](C[5]N[5]CH)(C[5]C[5]O){1|C<3>,1|O<1>}	111.8275	0.209	2	111.8275	0.044	2	111.8275	0.044	2	108.7377	4.034	12	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:2:1:1:	4:3:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHHO)(H)	C(C[5]C[5,6a]O[5]H)(OC)(H)2	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHHO)(H){1|H<1>,1|N<2>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(OC)(H)2	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N){2|C<3>}	108.4240	0.000	1	108.4240	0.000	1	108.4325	0.000	2	107.9770	0.720	5	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:2:1:1:	4:3:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHHO)(H)	C(C[5]C[5,6a]O[5]H)(OC)(H)2	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHHO)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(OC)(H)2	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O){2|C<3>}	108.4410	0.000	1	108.4410	0.000	1	108.4325	0.000	2	107.9770	0.720	5	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:2:1:1:	4:3:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:Se-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CSeHH)(H)	C(C[5]C[5,6a]O[5]H)(SeC[6a])(H)2	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CSeHH)(H){1|H<1>,1|N<2>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(SeC[6a])(H)2	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]N){2|C<3>}	108.2735	0.163	2	108.2735	0.027	2	108.2735	0.027	2	107.9770	0.720	5	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:2:1:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC[6])(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(OC[6])(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O){2|H<1>}	106.4730	0.000	1	106.4730	0.000	1	106.4730	0.000	1	107.9770	0.720	5	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:3:1:1:	3:4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]HH)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]HH)(H){2|C<3>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|H<1>,1|O<1>,2|C<3>}	109.6990	0.000	1	109.6990	0.000	1	109.6990	0.000	1	109.6990	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:3:1:1:	4:3:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:B[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(CCHH)(H)	C(C[5]C[5,6a]O[5]H)(CC[6a]O)(H)2	O[5](C[5]C[5,6a]CH)(B[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(CCHH)(H){1|H<1>,1|O<2>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(CC[6a]O)(H)2	O[5](C[5]C[5,6a]CH)(B[5]C[5,6a]O){2|C<3>}	108.7380	0.000	1	108.7380	0.000	1	108.7380	0.000	1	109.1402	1.795	16	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:3:1:1:	4:3:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6a]O[5]H)(CC[6a]O)(H)2	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(CC[6a]O)(H)2	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O){2|C<3>}	107.2790	0.000	1	107.2790	0.000	1	108.3990	0.462	5	109.1402	1.795	16	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:3:1:1:	4:3:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6a]O[5]H)(COO)(H)2	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(COO)(H)2	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O){2|C<3>}	108.6790	0.304	4	108.6790	0.093	4	108.3990	0.462	5	109.1402	1.795	16	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:3:1:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CCH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|H<1>}	107.4040	0.000	1	107.4040	0.000	1	109.5510	2.276	10	109.1402	1.795	16	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:3:1:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCC)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(CCC)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|H<1>}	109.0888	1.075	6	109.0888	1.157	6	109.5510	2.276	10	109.1402	1.795	16	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:3:1:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(COO)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(H){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]H)(COO)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,1|O<1>}	111.1745	0.861	2	111.1745	0.741	2	109.5510	2.276	10	109.1402	1.795	16	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:3:1:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]C)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCH)(H)2	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]C)(O[5]C[5])(CCHH)(H){1|O<1>,1|S<4>}	C(C[5]C[5]O[5]H)(CCH)(H)2	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|S<4>}	111.2240	0.000	1	111.2240	0.000	1	109.5510	2.276	10	109.1402	1.795	16	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:3:2:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCC)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H){1|Br<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CCC)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|Br<1>,1|H<1>}	109.6540	0.000	1	109.6540	0.000	1	109.6540	0.000	1	109.6540	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:3:3:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-3:N-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(O[5]C[5])(CCHN)(H)	C(C[5]C[5]O[5]H)(COO)(NCH)(H)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]O)(O[5]C[5])(CCHN)(H){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]H)(COO)(NCH)(H)	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<3>,1|O<1>}	110.2580	0.000	1	110.2580	0.000	1	110.2580	0.000	1	110.6190	0.261	2	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:3:3:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(C[5]C[5]O[5])(CCC)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CC[5]CH)(H){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(C[5]C[5]O[5])(CCC)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|H<1>}	110.9800	0.000	1	110.9800	0.000	1	110.9800	0.000	1	110.6190	0.261	2	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:3:4:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(C[5]C[5]2)(CC[6]HH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CC[5]CH)(H){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]H)(C[5]C[5]2)(CC[6]HH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,1|H<1>}	110.3680	1.285	5	110.3680	1.651	5	110.3680	1.651	5	110.3680	1.651	5	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:3:4:3:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:N-3:C-4:C-3:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CCCN)(H)	C(C[5]C[5]O[5]H)(NC[6a]H)(CH3)(COO)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CCCN)(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(NC[6a]H)(CH3)(COO)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|H<1>}	111.7130	0.000	1	111.7130	0.000	1	111.7130	0.000	1	111.7130	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:1:1:	4:3:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6a]O[5]H)(CCFF)(H)2	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(CCFF)(H)2	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O){2|C<3>}	109.0330	0.000	1	109.0330	0.000	1	109.2194	0.409	9	109.3450	2.016	20	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:1:1:	4:3:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6a]O[5]H)(CCHH)(H)2	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(CCHH)(H)2	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O){2|C<3>}	110.2960	0.000	1	110.2960	0.000	1	109.2194	0.409	9	109.3450	2.016	20	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:1:1:	4:3:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6a]O[5]H)(CC[6a]HN)(H)2	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(CC[6a]HN)(H)2	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O){2|C<3>}	109.1260	0.000	1	109.1260	0.000	1	109.2194	0.409	9	109.3450	2.016	20	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:1:1:	4:3:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6a]O[5]H)(CC[6a]HO)(H)2	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(CC[6a]HO)(H)2	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O){2|C<3>}	109.0340	0.000	1	109.0340	0.000	1	109.2194	0.409	9	109.3450	2.016	20	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:1:1:	4:3:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6a]O[5]H)(CH3)(H)2	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){1|Cl<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(CH3)(H)2	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O){2|C<3>}	108.9320	0.000	1	109.2645	0.466	4	109.2194	0.409	9	109.3450	2.016	20	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:1:1:	4:3:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6a]O[5]H)(CH3)(H)2	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(CH3)(H)2	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O){2|C<3>}	109.3753	0.791	3	109.2645	0.466	4	109.2194	0.409	9	109.3450	2.016	20	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:1:1:	4:3:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6a]O[5]H)(CHHO)(H)2	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(CCHH)(H){1|O<1>,1|O<2>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(CHHO)(H)2	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O){1|C<3>,1|O<2>}	108.4280	0.000	1	108.4280	0.000	1	109.2194	0.409	9	109.3450	2.016	20	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:1:1:	4:3:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:S-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHHS)(H)	C(C[5]C[5,6a]O[5]H)(SFOO)(H)2	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHHS)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(SFOO)(H)2	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O){2|C<3>}	109.4060	0.000	1	109.4060	0.000	1	109.4060	0.000	1	109.3450	2.016	20	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:1:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[3]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CC[3]HH)(H)	C(C[3]C[3]O[3]C)(C[5]C[5]O[5]H)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CC[3]HH)(H){1|C<4>,1|O<1>}	C(C[3]C[3]O[3]C)(C[5]C[5]O[5]H)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|H<1>}	109.6960	0.450	2	109.6960	0.202	2	109.6960	0.202	2	109.3450	2.016	20	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:1:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCCH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(CCCH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O){2|C<4>}	107.1220	0.000	1	107.1220	0.000	1	108.4147	2.162	4	109.3450	2.016	20	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:1:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CCHO)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|H<1>}	107.4770	0.000	1	107.4770	0.000	1	108.4147	2.162	4	109.3450	2.016	20	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:1:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|H<1>}	108.6790	0.000	1	108.6790	0.000	1	108.4147	2.162	4	109.3450	2.016	20	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:1:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CN[5]HH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CN[5]HH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O){2|H<1>}	110.3810	0.000	1	110.3810	0.000	1	108.4147	2.162	4	109.3450	2.016	20	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:1:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CC[5]HH)(H)	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CC[5]HH)(H){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|H<1>}	107.1010	0.000	1	107.1010	0.000	1	110.6563	9.655	3	109.3450	2.016	20	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:1:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(O[5]C[5])(CC[5]HH)(H)	C(C[5]C[5,6a]C[6a]C[5])(C[5]C[5]O[5]H)(H)2	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]O)(O[5]C[5])(CC[5]HH)(H){1|C<3>,1|O<1>}	C(C[5]C[5,6a]C[6a]C[5])(C[5]C[5]O[5]H)(H)2	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<3>,1|O<1>}	112.4340	0.591	2	112.4340	0.349	2	110.6563	9.655	3	109.3450	2.016	20	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:1:1:	4:3:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5]C)(O[5]C[5])(CCHH)(H)	C(C[5]N[5]O[5]H)(CCHH)(H)2	O[5](C[5]N[5]CH)(C[5]C[5]O)	C[5](N[5]C[5]C)(O[5]C[5])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[5]N[5]O[5]H)(CCHH)(H)2	O[5](C[5]N[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>}	109.5000	0.000	1	109.5000	0.000	1	109.5000	0.000	1	109.3450	2.016	20	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:2:1:	4:3:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHO)(H)	C(C[5]C[5,6a]O[5]H)(CH3)(OH)(H)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHO)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(CH3)(OH)(H)	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O){2|C<3>}	108.1730	1.319	6	108.1730	1.740	6	108.1730	1.740	6	109.2770	1.793	35	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:2:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|H<1>}	108.3660	0.000	1	108.3660	0.000	1	109.6115	1.343	26	109.2770	1.793	35	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:2:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CC[3]CH)(OC)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(CC[3]CH)(OC)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|H<1>}	108.7210	0.000	1	108.7210	0.000	1	109.6115	1.343	26	109.2770	1.793	35	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:2:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CC[3]CH)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(CC[3]CH)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|H<1>}	109.5480	0.330	2	109.5480	0.109	2	109.6115	1.343	26	109.2770	1.793	35	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:2:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CC[5]CH)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(CC[5]CH)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|H<1>}	108.4020	0.000	1	108.4020	0.000	1	109.6115	1.343	26	109.2770	1.793	35	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:2:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|H<1>}	109.6780	0.000	1	109.6780	0.000	1	109.6115	1.343	26	109.2770	1.793	35	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:2:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,1|O<2>}	107.8790	0.000	1	109.9100	1.267	19	109.6115	1.343	26	109.2770	1.793	35	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:2:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H){1|N<2>,1|O<1>}	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|N<2>,1|O<1>}	109.6940	0.000	1	109.9100	1.267	19	109.6115	1.343	26	109.2770	1.793	35	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:2:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H){1|N<4>,1|O<1>}	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|N<4>,1|O<1>}	110.0270	1.393	2	109.9100	1.267	19	109.6115	1.343	26	109.2770	1.793	35	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:2:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H){1|O<1>,1|O<2>}	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|O<2>}	110.0442	1.082	15	109.9100	1.267	19	109.6115	1.343	26	109.2770	1.793	35	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:2:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5]O[5]C)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]O)	C[5](C[5]O[5]C)(O[5]C[5])(CCHO)(H){1|O<1>}	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]O){1|C<3>}	107.3470	0.000	1	107.3470	0.000	1	109.6115	1.343	26	109.2770	1.793	35	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:2:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5]O[5]C)(O[5]C[5])(CC[5]HO)(H)	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(OH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]O)	C[5](C[5]O[5]C)(O[5]C[5])(CC[5]HO)(H){1|O<1>}	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(OH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]O){1|C<3>}	106.4200	0.000	1	106.4200	0.000	1	106.4200	0.000	1	109.2770	1.793	35	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:2:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[6]-4:N-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]HN)(H)	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(NC[6])(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]HN)(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(NC[6])(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|H<1>}	109.7100	0.000	1	109.7100	0.000	1	109.7100	0.000	1	109.2770	1.793	35	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:2:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[6]-4:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]Br)(O[5]C[5])(CC[6]HO)(H)	C(C[5]C[5]O[5]H)(C[6]S[6]2H)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]Br)(O[5]C[5])(CC[6]HO)(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(C[6]S[6]2H)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|Br<1>,1|H<1>}	109.6270	0.000	1	109.6270	0.000	1	109.6270	0.000	1	109.2770	1.793	35	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:3:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:N-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CCHN)(H)	C(C[5]C[5]O[5]H)(CCHH)(NHS)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CCHN)(H){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(CCHH)(NHS)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|H<1>}	110.4970	0.000	1	109.8780	0.766	2	108.7752	1.938	4	108.9360	1.583	5	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:3:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:N-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CCHN)(H)	C(C[5]C[5]O[5]H)(CCHH)(NHS)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CCHN)(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CCHH)(NHS)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|H<1>}	109.2590	0.000	1	109.8780	0.766	2	108.7752	1.938	4	108.9360	1.583	5	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:3:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:N-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CCHN)(H)	C(C[5]C[5]O[5]H)(CC[6a]FF)(NCH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CCHN)(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CC[6a]FF)(NCH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|H<1>}	107.3700	0.000	1	107.3700	0.000	1	108.7752	1.938	4	108.9360	1.583	5	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:3:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:N-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CCHN)(H)	C(C[5]C[5]O[5]H)(CF3)(NHS)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CCHN)(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CF3)(NHS)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|H<1>}	107.9750	0.000	1	107.9750	0.000	1	108.7752	1.938	4	108.9360	1.583	5	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:3:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[6]-4:N-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]HN)(H)	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(NC[6a]H)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]HN)(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(NC[6a]H)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|H<1>}	109.5790	0.000	1	109.5790	0.000	1	109.5790	0.000	1	108.9360	1.583	5	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:4:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CCCH)(H)	C(C[5]C[5]O[5]H)(CC[5]HH)(CCCH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CCCH)(H){1|Br<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CC[5]HH)(CCCH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|Br<1>,1|H<1>}	110.5440	0.000	1	110.5440	0.000	1	110.7565	0.090	2	110.5610	0.624	5	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:4:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CCCH)(H)	C(C[5]C[5]O[5]H)(CC[6a]CH)(CCHH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CCCH)(H){1|Br<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CC[6a]CH)(CCHH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|Br<1>,1|H<1>}	110.9690	0.000	1	110.9690	0.000	1	110.7565	0.090	2	110.5610	0.624	5	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:4:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[6]-4:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]CH)(H)	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(CCHH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]CH)(H){1|Br<1>,1|O<1>}	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(CCHH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|Br<1>,1|H<1>}	110.1395	1.330	2	110.1395	1.769	2	110.4307	1.139	3	110.5610	0.624	5	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:4:1:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[6]-4:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]CH)(H)	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(CC[5]HH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]CH)(H){1|Br<1>,1|O<1>}	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(CC[5]HH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|Br<1>,1|H<1>}	111.0130	0.000	1	111.0130	0.000	1	110.4307	1.139	3	110.5610	0.624	5	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:4:2:	3:4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CCCO)(H)	C(C[5]C[5]O[5]H)(CH3)2(OH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CCCO)(H){2|C<3>}	C(C[5]C[5]O[5]H)(CH3)2(OH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|H<1>,1|O<1>,2|C<3>}	108.4070	0.000	1	108.4070	0.000	1	108.4070	0.000	1	108.4070	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:4:3:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-3:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CC3)(H)	C(C[5]C[5]O[5]H)(CH3)2(CCH)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CC3)(H){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(CH3)2(CCH)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|H<1>}	110.2730	0.000	1	110.2730	0.000	1	110.2730	0.000	1	110.2730	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:4:4:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CC3)(H)	C(C[5]C[5]O[5]H)(CCHH)(CH3)2	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CC3)(H){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(CCHH)(CH3)2	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|H<1>}	110.2640	0.000	1	110.2640	0.000	1	110.4848	0.027	5	110.0623	0.618	9	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:4:4:	4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CC3)(H)	C(C[5]C[5]O[5]H)(CCHO)(CH3)2	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CC3)(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CCHO)(CH3)2	O[5](C[5]C[5]CH)(C[5]C[5]O){2|H<1>}	110.5400	0.127	4	110.5400	0.016	4	110.4848	0.027	5	110.0623	0.618	9	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:4:4:	4:3:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-3:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	C(C[5]N[5,5]O[5]H)(CH3)3	O[5](C[5]N[5,5]CH)(C[5]C[5,5]O)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|O<1>,2|H<1>,3|C<4>}	C(C[5]N[5,5]O[5]H)(CH3)3	O[5](C[5]N[5,5]CH)(C[5]C[5,5]O){3|C<4>}	108.6930	0.000	1	108.6930	0.000	1	108.6930	0.000	1	110.0623	0.618	9	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:4:4:	4:3:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-3:	C[5](N[5]C[5]C)(O[5]C[5])(CC3)(H)	C(C[5]N[5]O[5]H)(CH3)3	O[5](C[5]N[5]CH)(C[5]C[5]O)	C[5](N[5]C[5]C)(O[5]C[5])(CC3)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[5]N[5]O[5]H)(CH3)3	O[5](C[5]N[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>}	109.8147	0.971	3	109.8147	0.942	3	109.8147	0.942	3	110.0623	0.618	9	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:2:	4:1:1:1:	3:4:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]O)(O[5]C[5,6])(CH3)(OC)	C(C[5]C[5]O[5]O)(H)3	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CO)	C[5](C[5]C[5,6]O)(O[5]C[5,6])(CH3)(OC){2|C<3>}	C(C[5]C[5]O[5]O)(H)3	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CO){1|C<4>,1|O<1>,2|C<3>}	109.5665	0.575	2	109.5665	0.330	2	109.5665	0.330	2	109.4534	0.817	11	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:2:	4:1:1:1:	3:4:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CH3)(OC)	C(C[5]C[5]O[5]O)(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CH3)(OC){2|C<3>}	C(C[5]C[5]O[5]O)(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO){1|C<4>,1|O<1>,2|C<3>}	109.4282	0.988	9	109.4282	0.976	9	109.4282	0.976	9	109.4534	0.817	11	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:2:	4:1:1:1:	4:2:	C[5,6]-3:O[5]-2:C-4:O-2:	C[5]-4:F-1:F-1:F-1:	C[5]-4:N[5]-2:	C[5](C[5,6]C[5,6]C[6])(O[5]N[5])(CF3)(OH)	C(C[5]C[5,6]O[5]O)(F)3	O[5](C[5]C[5,6]CO)(N[5]C[5,6])	C[5](C[5,6]C[5,6]C[6])(O[5]N[5])(CF3)(OH){1|H<1>,2|C<3>}	C(C[5]C[5,6]O[5]O)(F)3	O[5](C[5]C[5,6]CO)(N[5]C[5,6]){2|C<3>}	104.9180	0.000	1	104.9180	0.000	1	104.9180	0.000	1	104.9180	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:2:	4:1:1:1:	4:3:	C[5,6a]-3:O[5]-2:C-4:C-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)(CC)	C(C[5]C[5,6a]O[5]C)(H)3	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)(CC){1|C<4>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(H)3	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O){2|C<3>}	107.1110	0.000	1	107.1110	0.000	1	107.1110	0.000	1	107.5131	0.949	7	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:2:	4:1:1:1:	4:3:	C[5,6a]-3:O[5]-2:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6,6a])(O[5]C[5])(CH3)(OH)	C(C[5]C[5,6a]O[5]O)(H)3	O[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6,6a])(O[5]C[5])(CH3)(OH){1|O<1>,1|O<2>,2|C<3>}	C(C[5]C[5,6a]O[5]O)(H)3	O[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O){2|C<3>}	108.8770	0.000	1	108.8770	0.000	1	107.3347	1.789	3	107.5131	0.949	7	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:2:	4:1:1:1:	4:3:	C[5,6a]-3:O[5]-2:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)(OH)	C(C[5]C[5,6a]O[5]O)(H)3	O[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)(OH){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]O)(H)3	O[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O){2|C<3>}	106.5635	0.103	2	106.5635	0.011	2	107.3347	1.789	3	107.5131	0.949	7	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:2:	4:1:1:1:	4:3:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C[6])(O[5]C[5])(CH3)(OC)	C(C[5]C[5]O[5]O)(H)3	O[5](C[5]C[5]CO)(C[5]C[5]O)	C[5](C[5]C[5]C[6])(O[5]C[5])(CH3)(OC){1|O<1>,2|C<4>,2|H<1>}	C(C[5]C[5]O[5]O)(H)3	O[5](C[5]C[5]CO)(C[5]C[5]O){1|C<4>,1|H<1>}	107.4190	0.000	1	107.4190	0.000	1	107.8257	0.782	3	107.5131	0.949	7	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:2:	4:1:1:1:	4:3:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O)(O[5]C[5])(CH3)(OH)	C(C[5]C[5]O[5]O)(H)3	O[5](C[5]C[5]CO)(C[5]C[5]C)	C[5](C[5]C[5]O)(O[5]C[5])(CH3)(OH){1|C<3>,1|C<4>}	C(C[5]C[5]O[5]O)(H)3	O[5](C[5]C[5]CO)(C[5]C[5]C){1|C<3>,1|O<1>}	107.2180	0.000	1	107.2180	0.000	1	107.8257	0.782	3	107.5131	0.949	7	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:2:	4:1:1:1:	4:3:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(O[5]C[5])(CH3)(OC)	C(C[5]C[5]O[5]O)(H)3	O[5](C[5]C[5]CO)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CH3)(OC){1|C<4>,1|O<1>,2|C<3>}	C(C[5]C[5]O[5]O)(H)3	O[5](C[5]C[5]CO)(C[5]C[5]O){1|C<3>,1|C<4>}	108.8400	0.000	1	108.8400	0.000	1	107.8257	0.782	3	107.5131	0.949	7	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:2:	4:2:1:1:	4:3:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(OH)	C(C[5]C[5]O[5]O)(OH)(H)2	O[5](C[5]C[5]CO)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(OH){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]O)(OH)(H)2	O[5](C[5]C[5]CO)(C[5]C[5]O){1|C<4>,1|H<1>}	109.3870	0.000	1	109.3870	0.000	1	109.3870	0.000	1	109.3870	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:2:	4:4:1:1:	4:3:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)(OC)	C(C[5]C[5]O[5]O)(CC[3,5]CH)(H)2	O[5](C[5]C[5]CO)(C[5]C[5]O)	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)(OC){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]O)(CC[3,5]CH)(H)2	O[5](C[5]C[5]CO)(C[5]C[5]O){2|C<4>}	107.7610	0.000	1	107.7610	0.000	1	107.3127	3.646	3	107.3127	3.646	3	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:2:	4:4:1:1:	4:3:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(OC)	C(C[5]C[5]O[5]O)(CCHH)(H)2	O[5](C[5]C[5]CO)(C[5]C[5]C)	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(OC){1|C<3>,1|H<1>}	C(C[5]C[5]O[5]O)(CCHH)(H)2	O[5](C[5]C[5]CO)(C[5]C[5]C){2|H<1>}	108.9580	0.000	1	108.9580	0.000	1	107.3127	3.646	3	107.3127	3.646	3	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:2:	4:4:1:1:	4:3:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(OH)	C(C[5]C[5]O[5]O)(CC[3,5]CH)(H)2	O[5](C[5]C[5]CO)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(OH){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]O)(CC[3,5]CH)(H)2	O[5](C[5]C[5]CO)(C[5]C[5]O){1|C<4>,1|H<1>}	105.2190	0.000	1	105.2190	0.000	1	107.3127	3.646	3	107.3127	3.646	3	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:2:	4:4:4:1:	3:4:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:C-4:C-4:H-1:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]H)(O[5]C[5,6])(CCCH)(OH)	C(C[5]C[5]O[5]O)(CCHH)(CH3)(H)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CO)	C[5](C[5]C[5,6]H)(O[5]C[5,6])(CCCH)(OH){2|C<3>}	C(C[5]C[5]O[5]O)(CCHH)(CH3)(H)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CO){1|C<4>,1|H<1>,2|C<3>}	108.4890	0.000	1	109.1430	0.855	2	109.1430	0.855	2	109.1430	0.855	2	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:2:	4:4:4:1:	3:4:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:C-4:C-4:H-1:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]H)(O[5]C[5,6])(CCCH)(OH)	C(C[5]C[5]O[5]O)(CCHH)(CH3)(H)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CO)	C[5](C[5]C[5,6]H)(O[5]C[5,6])(CCCH)(OH){2|C<3>}	C(C[5]C[5]O[5]O)(CCHH)(CH3)(H)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CO){2|C<3>,2|H<1>}	109.7970	0.000	1	109.1430	0.855	2	109.1430	0.855	2	109.1430	0.855	2	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:2:	4:4:4:1:	4:3:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]C)(O[5]C[5])(CCCH)(OC)	C(C[5]C[5]O[5]O)(CH3)2(H)	O[5](C[5]C[5]CO)(C[5]N[5]C)	C[5](C[5]N[5]C)(O[5]C[5])(CCCH)(OC){1|Zn<5>,1|C<3>}	C(C[5]C[5]O[5]O)(CH3)2(H)	O[5](C[5]C[5]CO)(C[5]N[5]C){1|Zn<5>,1|C<3>}	107.4790	0.000	1	107.4790	0.000	1	107.4790	0.000	1	107.4790	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:3:	4:1:1:1:	3:4:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CH3)(CCH)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CH3)(CCH){2|C<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC){1|H<1>,1|O<1>,2|C<3>}	108.8090	1.093	2	108.8090	1.195	2	108.8090	1.195	2	108.7922	1.400	4	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:3:	4:1:1:1:	3:4:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5]O)(O[5]C[5])(CH3)(CCH)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]C[6])(C[5]C[5]CC)	C[5](C[5]C[5]O)(O[5]C[5])(CH3)(CCH){1|C<3>,1|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]C[6])(C[5]C[5]CC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	107.5500	0.000	1	107.5500	0.000	1	108.7755	3.004	2	108.7922	1.400	4	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:3:	4:1:1:1:	3:4:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]O)(O[5]C[5])(CH3)(CCH)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[6a]N[5])(C[5]C[5]CC)	C[5](C[5]N[5]O)(O[5]C[5])(CH3)(CCH){1|C<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[6a]N[5])(C[5]C[5]CC){1|O<1>,2|C<3>}	110.0010	0.000	1	110.0010	0.000	1	108.7755	3.004	2	108.7922	1.400	4	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:3:	4:1:1:1:	4:3:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CH3)(COO)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CH3)(COO){1|O<1>,1|O<2>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O){1|H<1>,1|O<2>}	109.0725	0.528	4	109.0725	0.279	4	108.4368	1.277	6	108.4368	1.277	6	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:3:	4:1:1:1:	4:3:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O)(O[5]C[5])(CH3)(CCH)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]2)	C[5](C[5]C[5]O)(O[5]C[5])(CH3)(CCH){1|C<3>,1|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]2){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	106.5740	0.000	1	106.5740	0.000	1	108.4368	1.277	6	108.4368	1.277	6	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:3:	4:1:1:1:	4:3:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(O[5]C[5])(CH3)(CCH)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]N[5]O)	C[5](C[5]N[5]O)(O[5]C[5])(CH3)(CCH){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]N[5]O){1|C<3>,1|O<1>}	107.7570	0.000	1	107.7570	0.000	1	108.4368	1.277	6	108.4368	1.277	6	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:3:	4:3:1:1:	4:3:	C[5,6a]-3:O[5]-2:C-4:C-3:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(COO)	C(C[5]C[5,6a]O[5]C)(CCC)(H)2	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(COO){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(CCC)(H)2	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O){2|C<3>}	108.4675	1.223	4	108.4675	1.495	4	108.4675	1.495	4	108.4675	1.495	4	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:3:	4:3:4:1:	3:4:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-4:C[6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]CH)(COO)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHN)(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]CH)(COO){2|C<3>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHN)(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC){1|H<1>,1|O<1>,2|C<3>}	111.0880	0.000	1	111.0880	0.000	1	111.0880	0.000	1	111.0880	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	3:4:1:1:	3:4:	C[5]-3:O[5]-2:C-4:S-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]N[6a])(C[5]C[5]O[5]S)(H)2	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CS)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]HH)(SC[6a]OO){2|C<3>}	C(C[6a]C[6a]N[6a])(C[5]C[5]O[5]S)(H)2	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]CS){1|O<1>,3|C<3>}	111.7270	0.000	1	111.7270	0.000	1	111.7270	0.000	1	111.7270	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	3:4:	C[5,5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2	C(C[5]C[5,5]O[5]C)(H)3	O[5](C[5]C[5,5]C[6a])(C[5]C[5,5]CC)	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2{4|C<3>}	C(C[5]C[5,5]O[5]C)(H)3	O[5](C[5]C[5,5]C[6a])(C[5]C[5,5]CC){4|C<3>}	106.3640	0.095	2	106.3640	0.009	2	106.3640	0.009	2	107.3755	1.644	27	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	3:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-3:C[5]-4:	C[5](C[5]O[5]C)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[5]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]C)(O[5]B[5])(CH3)2{1|C<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[5]O[5])(C[5]C[5]CC){1|Se<2>,1|C<3>,1|C<4>}	108.7220	1.311	2	108.7220	1.719	2	108.7220	1.719	2	107.3755	1.644	27	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	3:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(CH3)2{2|C<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC){1|C<2>,3|C<3>}	106.3470	0.000	1	106.9146	0.199	7	107.2625	0.699	12	107.3755	1.644	27	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	3:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(CH3)2{2|C<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC){1|H<1>,3|C<3>}	107.0092	0.404	6	106.9146	0.199	7	107.2625	0.699	12	107.3755	1.644	27	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	3:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(CHHO)(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(CHHO)(CH3){2|C<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC){1|H<1>,3|C<3>}	106.6630	0.247	2	106.6630	0.061	2	107.2625	0.699	12	107.3755	1.644	27	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	3:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CCHH)(CH3){2|C<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC){1|C<4>,1|O<1>,2|C<3>}	108.8030	0.000	1	108.8030	0.000	1	107.2625	0.699	12	107.3755	1.644	27	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	3:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CH3)2{2|C<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC){1|O<1>,1|O<2>,2|C<3>}	108.3095	0.552	2	108.3095	0.305	2	107.2625	0.699	12	107.3755	1.644	27	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	3:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5,5]C)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5,5]O)(C[5]C[5]CC)	C[5](C[5]C[5,5]C)(O[5]C[5])(CH3)2{1|O<1>,2|C<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5,5]O)(C[5]C[5]CC){3|C<3>}	106.6225	0.961	2	106.6225	0.923	2	108.0026	2.225	5	107.3755	1.644	27	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	3:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[6a]C[5])(C[5]C[5]CC)	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[6a]C[5])(C[5]C[5]CC){1|H<1>,1|O<1>,2|C<3>}	107.9460	0.000	1	107.9460	0.000	1	108.0026	2.225	5	107.3755	1.644	27	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	3:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]O)(O[5]C[5])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[6a]N[5])(C[5]C[5]CC)	C[5](C[5]N[5]O)(O[5]C[5])(CCHH)(CH3){1|C<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[6a]N[5])(C[5]C[5]CC){1|O<1>,2|C<3>}	109.7250	0.000	1	109.7250	0.000	1	108.0026	2.225	5	107.3755	1.644	27	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	3:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]O)(O[5]C[5])(CCHO)(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[6a]N[5])(C[5]C[5]CC)	C[5](C[5]N[5]O)(O[5]C[5])(CCHO)(CH3){1|C<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[6a]N[5])(C[5]C[5]CC){1|O<1>,2|C<3>}	109.0970	0.000	1	109.0970	0.000	1	108.0026	2.225	5	107.3755	1.644	27	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	3:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:O-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(CHHO)(CH3)	C(C[5]C[5]O[5]C)(H)2(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(CHHO)(CH3){2|C<3>}	C(C[5]C[5]O[5]C)(H)2(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC){1|H<1>,3|C<3>}	106.2465	0.066	2	106.2465	0.004	2	106.2465	0.004	2	107.3755	1.644	27	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	3:4:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CCHH)(CFFH)	C(C[5]N[5]O[5]C)(F)2(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)	C[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CCHH)(CFFH){2|C<3>}	C(C[5]N[5]O[5]C)(F)2(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC){1|C<4>,1|H<1>,2|C<3>}	104.1360	0.000	1	104.1360	0.000	1	104.1360	0.000	1	107.3755	1.644	27	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	3:4:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](N[5]C[5,6a]H)(O[5]C[5,6a])(CCHH)(CH3)	C(C[5]N[5]O[5]C)(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)	C[5](N[5]C[5,6a]H)(O[5]C[5,6a])(CCHH)(CH3){2|C<3>}	C(C[5]N[5]O[5]C)(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC){1|C<4>,1|H<1>,2|C<3>}	108.7230	0.000	1	108.7230	0.000	1	108.7230	0.000	1	107.3755	1.644	27	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	3:4:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](N[5]N[5]C)(O[5]C[5])(CH3)2	C(C[5]N[5]O[5]C)(H)3	O[5](C[5]C[6a]N[5])(C[5]N[5]CC)	C[5](N[5]N[5]C)(O[5]C[5])(CH3)2{1|C<3>}	C(C[5]N[5]O[5]C)(H)3	O[5](C[5]C[6a]N[5])(C[5]N[5]CC){1|N<2>,2|C<3>}	108.2260	0.569	2	108.2260	0.323	2	108.2260	0.323	2	107.3755	1.644	27	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:2:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:	C[5](N[5]C[6a]C[5])(O[5]N[5])(CCHH)(CH3)	C(C[5]N[5]O[5]C)(H)3	O[5](C[5]N[5]CC)(N[5]C[5])	C[5](N[5]C[6a]C[5])(O[5]N[5])(CCHH)(CH3){3|C<3>}	C(C[5]N[5]O[5]C)(H)3	O[5](C[5]N[5]CC)(N[5]C[5]){2|C<3>}	109.8040	0.000	1	109.8040	0.000	1	108.6097	2.995	3	108.6097	2.995	3	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:2:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:	C[5](N[5]C[6a]C[5])(O[5]N[5])(CC[5]HH)(CH3)	C(C[5]N[5]O[5]C)(H)3	O[5](C[5]N[5]CC)(N[5]C[5])	C[5](N[5]C[6a]C[5])(O[5]N[5])(CC[5]HH)(CH3){3|C<3>}	C(C[5]N[5]O[5]C)(H)3	O[5](C[5]N[5]CC)(N[5]C[5]){2|C<3>}	108.0125	1.962	2	108.0125	3.850	2	108.6097	2.995	3	108.6097	2.995	3	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:3:	C[5,5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2	C(C[5]C[5,5]O[5]C)(H)3	O[5](C[5]C[5,5]CC)(C[5]C[5,5]C)	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2{1|C<4>,3|C<3>}	C(C[5]C[5,5]O[5]C)(H)3	O[5](C[5]C[5,5]CC)(C[5]C[5,5]C){2|C<3>}	106.7725	0.532	2	106.7725	0.284	2	106.7725	0.284	2	107.0468	1.318	171	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:3:	C[5,5a]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(CH3)2	C(C[5]C[5,5a]O[5]C)(H)3	O[5](C[5]C[5,5a]CC)(C[5]C[5,5a]O)	C[5](C[5,5a]C[5,5a]C[5a])(O[5]C[5])(CH3)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(C[5]C[5,5a]O[5]C)(H)3	O[5](C[5]C[5,5a]CC)(C[5]C[5,5a]O){2|C<3>}	107.1990	0.047	2	107.1990	0.002	2	107.1870	0.002	3	107.0468	1.318	171	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:3:	C[5,5a]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,5a]N[5,5a]C[5a])(O[5]C[5])(CHHN)(CH3)	C(C[5]C[5,5a]O[5]C)(H)3	O[5](C[5]C[5,5a]CC)(C[5]N[5,5a]O)	C[5](C[5,5a]N[5,5a]C[5a])(O[5]C[5])(CHHN)(CH3){1|C<4>,1|O<1>,2|C<3>}	C(C[5]C[5,5a]O[5]C)(H)3	O[5](C[5]C[5,5a]CC)(C[5]N[5,5a]O){2|C<3>}	107.1630	0.000	1	107.1630	0.000	1	107.1870	0.002	3	107.0468	1.318	171	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:3:	C[5,6]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CH3)2	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5]C[5,6]CC)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CH3)2{2|C<3>,2|O<1>}	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5]C[5,6]CC)(C[5]C[5,6]O){2|C<3>}	107.1025	0.013	2	107.1025	0.000	2	107.7475	0.555	4	107.0468	1.318	171	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:3:	C[5,6]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]N[6])(O[5]C[5])(CH3)2	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5]C[5,6]CC)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]N[6])(O[5]C[5])(CH3)2{1|C<3>,1|O<1>,1|S<4>}	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5]C[5,6]CC)(C[5]C[5,6]O){1|C<3>,1|N<2>}	108.3925	0.016	2	108.3925	0.000	2	107.7475	0.555	4	107.0468	1.318	171	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:3:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHO)(CH3)	C(C[5]C[5,6a]O[5]C)(H)3	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHO)(CH3){1|C<4>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(H)3	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O){2|C<3>}	105.9555	1.064	2	105.9555	1.133	2	107.6970	0.485	27	107.0468	1.318	171	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:3:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2	C(C[5]C[5,6a]O[5]C)(H)3	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2{1|H<1>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(H)3	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]C){2|C<3>}	107.7585	0.159	4	107.7585	0.025	4	107.6970	0.485	27	107.0468	1.318	171	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:3:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2	C(C[5]C[5,6a]O[5]C)(H)3	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]N)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2{1|H<1>,1|N<2>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(H)3	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]N){2|C<3>}	107.5460	0.642	2	107.5460	0.412	2	107.6970	0.485	27	107.0468	1.318	171	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:3:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2	C(C[5]C[5,6a]O[5]C)(H)3	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2{1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(H)3	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O){2|C<3>}	107.6934	0.316	10	107.6934	0.100	10	107.6970	0.485	27	107.0468	1.318	171	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:3:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHHN)(CH3)	C(C[5]C[5,6a]O[5]C)(H)3	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHHN)(CH3){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(H)3	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O){2|C<3>}	107.4370	0.000	1	107.4370	0.000	1	107.6970	0.485	27	107.0468	1.318	171	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:3:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]O[6a])(O[5]C[5])(CH3)2	C(C[5]C[5,6a]O[5]C)(H)3	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]O[6a])(O[5]C[5])(CH3)2{1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(H)3	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O){1|C<3>,1|O<2>}	108.1762	0.542	8	108.1762	0.293	8	107.6970	0.485	27	107.0468	1.318	171	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:B[5]-3:	C[5](C[5]C[5]C)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]C[5]O)	C[5](C[5]C[5]C)(O[5]B[5])(CH3)2{1|C<3>,1|O<2>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]C[5]O){1|C<2>,1|C<3>}	108.1265	0.141	2	108.1265	0.020	2	107.7350	8.521	4	107.0468	1.318	171	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:B[5]-3:	C[5](C[5]O[5]C)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]C)	C[5](C[5]O[5]C)(O[5]B[5])(CH3)2{1|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]C){1|C<4>}	107.3435	4.993	2	107.3435	24.929	2	107.7350	8.521	4	107.0468	1.318	171	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]C)	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2{1|C<2>,1|C<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]C){1|C<2>,1|C<3>}	106.1181	0.700	40	106.1008	0.572	48	106.7271	1.500	94	107.0468	1.318	171	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]C)	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2{1|C<3>,1|S<2>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]C){1|C<3>,1|S<2>}	105.6410	0.109	2	106.1008	0.572	48	106.7271	1.500	94	107.0468	1.318	171	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]C)	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2{1|C<3>,1|S<2>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]C){1|C<4>,1|S<2>}	107.6080	0.290	2	106.1008	0.572	48	106.7271	1.500	94	107.0468	1.318	171	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]C)	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2{1|C<3>,1|S<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]C){1|C<3>,1|S<4>}	105.4035	0.499	4	106.1008	0.572	48	106.7271	1.500	94	107.0468	1.318	171	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2{1|C<2>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O){1|C<2>,1|C<3>}	106.6310	0.413	2	106.6327	0.643	6	106.7271	1.500	94	107.0468	1.318	171	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2{1|C<4>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O){1|C<3>,1|C<4>}	107.3770	0.670	2	106.6327	0.643	6	106.7271	1.500	94	107.0468	1.318	171	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2{1|O<1>,1|S<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O){1|C<3>,1|S<4>}	105.8900	0.621	2	106.6327	0.643	6	106.7271	1.500	94	107.0468	1.318	171	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]2)	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]2){2|C<3>,2|H<1>}	108.8020	0.508	2	108.8020	0.258	2	106.7271	1.500	94	107.0468	1.318	171	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]CH)(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]CH)(CH3){1|Br<1>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O){1|Br<1>,1|H<1>}	107.2010	0.000	1	107.2010	0.000	1	106.7271	1.500	94	107.0468	1.318	171	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]C)	C[5](C[5]C[5]H)(O[5]C[5])(CH3)2{1|C<3>,1|H<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]C){2|H<1>}	107.3868	0.238	4	107.3868	0.057	4	106.7271	1.500	94	107.0468	1.318	171	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CH3)2{1|C<3>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O){1|C<3>,1|H<1>}	108.0842	0.752	4	107.3421	0.943	8	106.7271	1.500	94	107.0468	1.318	171	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CH3)2{1|C<4>,1|O<2>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O){1|C<4>,1|H<1>}	106.6000	0.410	4	107.3421	0.943	8	106.7271	1.500	94	107.0468	1.318	171	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]C)	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2{1|C<4>,1|H<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]C){1|H<1>,1|O<1>}	108.2565	0.101	2	108.2565	0.010	2	106.7271	1.500	94	107.0468	1.318	171	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2{1|C<3>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O){1|C<3>,1|O<2>}	107.9017	0.128	4	107.9017	0.016	4	106.7271	1.500	94	107.0468	1.318	171	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(O[5]C[5])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CCHH)(CH3){1|H<1>,3|C<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]C){1|C<3>,1|H<1>}	103.7310	0.000	1	103.7310	0.000	1	106.7271	1.500	94	107.0468	1.318	171	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CH3)2{1|C<2>,3|C<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]C){1|C<2>,1|C<3>}	105.3247	0.766	4	105.3247	0.587	4	106.7271	1.500	94	107.0468	1.318	171	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CH3)2{1|O<1>,3|C<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O){2|C<3>}	107.0915	0.708	2	107.0915	0.501	2	106.7271	1.500	94	107.0468	1.318	171	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]C)(O[5]C[5])(CCCH)(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]N[5]O)	C[5](C[5]N[5]C)(O[5]C[5])(CCCH)(CH3){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]N[5]O){2|C<3>}	108.1070	0.000	1	108.1070	0.000	1	106.7271	1.500	94	107.0468	1.318	171	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]C)(O[5]C[5])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]N[5]O)	C[5](C[5]N[5]C)(O[5]C[5])(CCHH)(CH3){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]N[5]O){2|C<3>}	108.0550	0.000	1	108.0550	0.000	1	106.7271	1.500	94	107.0468	1.318	171	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]C)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]N[5]O)	C[5](C[5]N[5]C)(O[5]C[5])(CH3)2{1|C<3>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]N[5]O){2|C<3>}	107.4188	1.073	4	107.4188	1.151	4	106.7271	1.500	94	107.0468	1.318	171	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(O[5]C[5])(CCFH)(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]N[5]O)	C[5](C[5]N[5]O)(O[5]C[5])(CCFH)(CH3){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]N[5]O){1|C<3>,1|O<1>}	109.4445	0.385	2	109.4445	0.149	2	106.7271	1.500	94	107.0468	1.318	171	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(O[5]C[5])(CC[6]HH)(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]N[5]O)	C[5](C[5]N[5]O)(O[5]C[5])(CC[6]HH)(CH3){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]N[5]O){1|H<1>,1|O<1>}	109.2080	0.000	1	109.2080	0.000	1	106.7271	1.500	94	107.0468	1.318	171	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(O[5]C[5])(CHHO)(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]N[5]O)	C[5](C[5]N[5]O)(O[5]C[5])(CHHO)(CH3){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]N[5]O){1|C<4>,1|O<1>}	109.3310	0.000	1	109.3310	0.000	1	106.7271	1.500	94	107.0468	1.318	171	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]O[5]C)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]O[5]O)	C[5](C[5]O[5]C)(O[5]C[5])(CH3)2{1|O<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]O[5]O){1|C<3>}	108.0130	0.132	2	108.0130	0.017	2	106.7271	1.500	94	107.0468	1.318	171	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:3:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	C(C[5]N[5]O[5]C)(H)3	O[5](C[5]N[5]CC)(C[5]C[5]O)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|C<4>,1|H<1>,1|O<1>}	C(C[5]N[5]O[5]C)(H)3	O[5](C[5]N[5]CC)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>}	107.5266	0.559	23	107.2381	0.499	37	107.2381	0.499	37	107.0468	1.318	171	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:3:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	C(C[5]N[5]O[5]C)(H)3	O[5](C[5]N[5]CC)(C[5]C[5]O)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|O<1>,2|C<4>}	C(C[5]N[5]O[5]C)(H)3	O[5](C[5]N[5]CC)(C[5]C[5]O){1|C<3>,2|C<4>}	106.7642	0.681	14	107.2381	0.499	37	107.2381	0.499	37	107.0468	1.318	171	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:2:1:1:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(O[5]C[5])(CHHO)(CH3)	C(C[5]C[5]O[5]C)(OC)(H)2	O[5](C[5]C[5]CC)(C[5]N[5]O)	C[5](C[5]N[5]O)(O[5]C[5])(CHHO)(CH3){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]C)(OC)(H)2	O[5](C[5]C[5]CC)(C[5]N[5]O){1|C<4>,1|O<1>}	108.2490	0.000	1	108.2490	0.000	1	108.2490	0.000	1	108.2490	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:3:1:1:	3:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(CCO)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CCHH)(CH3){2|C<3>}	C(C[5]C[5]O[5]C)(CCO)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC){1|C<4>,1|O<1>,2|C<3>}	109.3760	0.000	1	109.3760	0.000	1	109.7246	0.780	7	109.5106	0.765	9	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:3:1:1:	3:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CCHH)2	C(C[5]C[5]O[5]C)(CCH)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CCHH)2{2|C<3>}	C(C[5]C[5]O[5]C)(CCH)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC){1|H<1>,1|O<1>,2|C<3>}	108.2840	0.000	1	108.2840	0.000	1	109.7246	0.780	7	109.5106	0.765	9	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:3:1:1:	3:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CCHH)2	C(C[5]C[5]O[5]C)(COO)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CCHH)2{2|C<3>}	C(C[5]C[5]O[5]C)(COO)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC){1|H<1>,1|O<1>,2|C<3>}	109.5450	0.000	1	109.5450	0.000	1	109.7246	0.780	7	109.5106	0.765	9	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:3:1:1:	3:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[3]HH)(CCHH)	C(C[5]C[5]O[5]C)(COO)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[3]HH)(CCHH){2|C<3>}	C(C[5]C[5]O[5]C)(COO)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC){1|H<1>,1|O<1>,2|C<3>}	110.4597	0.621	3	110.4597	0.385	3	109.7246	0.780	7	109.5106	0.765	9	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:3:1:1:	3:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]CH)(CCHH)	C(C[5]C[5]O[5]C)(COO)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]CH)(CCHH){2|C<3>}	C(C[5]C[5]O[5]C)(COO)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC){1|H<1>,1|O<1>,2|C<3>}	109.4880	0.000	1	109.4880	0.000	1	109.7246	0.780	7	109.5106	0.765	9	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:3:1:1:	3:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]O)(O[5]C[5])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(CCC)(H)2	O[5](C[5]C[6a]N[5])(C[5]C[5]CC)	C[5](C[5]N[5]O)(O[5]C[5])(CCHH)(CH3){1|C<3>}	C(C[5]C[5]O[5]C)(CCC)(H)2	O[5](C[5]C[6a]N[5])(C[5]C[5]CC){1|O<1>,2|C<3>}	108.7350	0.000	1	108.7350	0.000	1	108.7350	0.000	1	109.5106	0.765	9	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:3:1:1:	3:4:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](N[5]C[5,6a]H)(O[5]C[5,6a])(CCHH)(CH3)	C(C[5]N[5]O[5]C)(CCN)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)	C[5](N[5]C[5,6a]H)(O[5]C[5,6a])(CCHH)(CH3){2|C<3>}	C(C[5]N[5]O[5]C)(CCN)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC){1|C<4>,1|H<1>,2|C<3>}	108.7880	0.000	1	108.7880	0.000	1	108.7880	0.000	1	109.5106	0.765	9	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:3:1:1:	4:2:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-2:	C[5](N[5]C[6a]C[5])(O[5]N[5])(CCHH)(CH3)	C(C[5]N[5]O[5]C)(CC[6a]N)(H)2	O[5](C[5]N[5]CC)(N[5]C[5])	C[5](N[5]C[6a]C[5])(O[5]N[5])(CCHH)(CH3){3|C<3>}	C(C[5]N[5]O[5]C)(CC[6a]N)(H)2	O[5](C[5]N[5]CC)(N[5]C[5]){2|C<3>}	109.7440	0.000	1	109.7440	0.000	1	109.7440	0.000	1	109.7440	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:3:1:1:	4:3:	C[5,5a]-3:O[5]-2:C-4:C-4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,5a]N[5,5a]C[5a])(O[5]C[5])(CHHN)(CH3)	C(C[5]C[5,5a]O[5]C)(NCC)(H)2	O[5](C[5]C[5,5a]CC)(C[5]N[5,5a]O)	C[5](C[5,5a]N[5,5a]C[5a])(O[5]C[5])(CHHN)(CH3){1|C<4>,1|O<1>,2|C<3>}	C(C[5]C[5,5a]O[5]C)(NCC)(H)2	O[5](C[5]C[5,5a]CC)(C[5]N[5,5a]O){2|C<3>}	108.3660	0.000	1	108.3660	0.000	1	108.3660	0.000	1	108.0827	0.815	3	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:3:1:1:	4:3:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHHN)(CH3)	C(C[5]C[5,6a]O[5]C)(NSS)(H)2	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHHN)(CH3){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(NSS)(H)2	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O){2|C<3>}	108.8100	0.000	1	108.8100	0.000	1	108.8100	0.000	1	108.0827	0.815	3	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:3:1:1:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]C)(O[5]C[5])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(CCH)(H)2	O[5](C[5]C[5]CC)(C[5]N[5]O)	C[5](C[5]N[5]C)(O[5]C[5])(CCHH)(CH3){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]C)(CCH)(H)2	O[5](C[5]C[5]CC)(C[5]N[5]O){2|C<3>}	107.0720	0.000	1	107.0720	0.000	1	107.0720	0.000	1	108.0827	0.815	3	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:3:2:1:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-3:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(CC3)	C(C[5]C[5]O[5]C)(CNO)(OH)(H)	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(CC3){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]C)(CNO)(OH)(H)	O[5](C[5]C[5]CC)(C[5]C[5]O){1|C<4>,1|H<1>}	104.0180	0.000	1	104.0180	0.000	1	104.0180	0.000	1	104.0180	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:3:3:1:	3:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[6a]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]CH)(CCHH)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCH)(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]CH)(CCHH){2|C<3>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCH)(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC){1|H<1>,1|O<1>,2|C<3>}	108.7970	0.000	1	108.7970	0.000	1	108.7970	0.000	1	108.7970	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:3:4:1:	3:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]CH)(CCHH)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHN)(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]CH)(CCHH){2|C<3>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHN)(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC){1|H<1>,1|O<1>,2|C<3>}	109.6080	0.000	1	109.6080	0.000	1	109.6080	0.000	1	109.6080	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:4:1:1:	3:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:F-1:F-1:	Se[5,5]-3:C[5]-4:	C[5](C[5,6a]C[5,5,6a]C[6a])(O[5]Se[5,5])(CCFF)2	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	O[5](Se[5,5]C[5,5,6a]O[5])(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5,5,6a]C[6a])(O[5]Se[5,5])(CCFF)2{1|H<1>,1|O<2>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	O[5](Se[5,5]C[5,5,6a]O[5])(C[5]C[5,6a]CC){1|C<4>,2|C<3>}	107.7820	0.087	4	107.7820	0.008	4	107.7820	0.008	4	108.3851	1.455	15	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:4:1:1:	3:4:	C[5]-3:O[5]-2:C-4:C-4:	C[3]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[3]HH)(CCHH)	C(C[3]C[3]O[3]H)(C[5]C[5]O[5]C)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[3]HH)(CCHH){2|C<3>}	C(C[3]C[3]O[3]H)(C[5]C[5]O[5]C)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC){1|H<1>,1|O<1>,2|C<3>}	108.3603	0.838	3	108.3603	0.703	3	108.3603	0.703	3	108.3851	1.455	15	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:4:1:1:	3:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]CH)(CCHH)	C(C[5]C[5]O[5]C)(CH3)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]CH)(CCHH){2|C<3>}	C(C[5]C[5]O[5]C)(CH3)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC){1|H<1>,1|O<1>,2|C<3>}	109.0290	0.000	1	109.0290	0.000	1	109.0290	0.000	1	108.3851	1.455	15	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:4:1:1:	3:4:	C[5]-3:O[5]-2:C[6]-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]2H)(CCHH)	C(C[5]C[5]C[6]O[5])(CC[6]CH)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]C)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]2H)(CCHH){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C(C[5]C[5]C[6]O[5])(CC[6]CH)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	110.3240	1.035	2	110.3240	1.072	2	110.3240	1.072	2	108.3851	1.455	15	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:4:1:1:	3:4:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:F-1:F-1:	C[5,6a]-3:C[5]-4:	C[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CCFF)(CCHH)	C(C[5]N[5]O[5]C)(CC[6]HO)(F)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)	C[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CCFF)(CCHH){2|C<3>}	C(C[5]N[5]O[5]C)(CC[6]HO)(F)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC){1|C<4>,1|H<1>,2|C<3>}	106.5895	0.484	2	106.5895	0.235	2	106.5895	0.235	2	108.3851	1.455	15	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:4:1:1:	3:4:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CCFF)(CCHH)	C(C[5]N[5]O[5]C)(CCHH)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)	C[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CCFF)(CCHH){2|C<3>}	C(C[5]N[5]O[5]C)(CCHH)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC){1|C<4>,1|H<1>,2|C<3>}	108.5205	0.336	2	108.5205	0.113	2	108.9040	0.498	3	108.3851	1.455	15	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:4:1:1:	3:4:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CCHH)(CFFH)	C(C[5]N[5]O[5]C)(CCHH)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)	C[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CCHH)(CFFH){2|C<3>}	C(C[5]N[5]O[5]C)(CCHH)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC){1|C<4>,1|H<1>,2|C<3>}	109.6710	0.000	1	109.6710	0.000	1	108.9040	0.498	3	108.3851	1.455	15	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:4:1:1:	4:2:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:F-1:F-1:	C[5]-4:S[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]S[5])(CCFF)2	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	O[5](C[5]C[5,6a]CC)(S[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]S[5])(CCFF)2{1|H<1>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	O[5](C[5]C[5,6a]CC)(S[5]C[5,6a]){2|C<3>}	108.3580	0.523	4	108.3580	0.274	4	108.3580	0.274	4	108.7495	2.040	6	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:4:1:1:	4:2:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-2:	C[5](N[5]C[6a]C[5])(O[5]N[5])(CC[5]HH)(CH3)	C(C[5]N[5]O[5]C)2(H)2	O[5](C[5]N[5]CC)(N[5]C[5])	C[5](N[5]C[6a]C[5])(O[5]N[5])(CC[5]HH)(CH3){3|C<3>}	C(C[5]N[5]O[5]C)2(H)2	O[5](C[5]N[5]CC)(N[5]C[5]){2|C<3>}	109.5325	2.746	2	109.5325	7.539	2	109.5325	7.539	2	108.7495	2.040	6	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:4:1:1:	4:3:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)2	C(C[5]C[5,6a]O[5]C)(CH3)(H)2	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)2{1|H<1>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(CH3)(H)2	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]C){2|C<3>}	107.8750	0.041	2	107.8750	0.002	2	107.8750	0.002	2	108.2058	1.073	12	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:4:1:1:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:F-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(O[5]C[5])(CCFH)(CH3)	C(C[5]C[5]O[5]C)(CH3)(F)(H)	O[5](C[5]C[5]CC)(C[5]N[5]O)	C[5](C[5]N[5]O)(O[5]C[5])(CCFH)(CH3){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]C)(CH3)(F)(H)	O[5](C[5]C[5]CC)(C[5]N[5]O){1|C<3>,1|O<1>}	109.0565	0.719	2	109.0565	0.517	2	109.0565	0.517	2	108.2058	1.073	12	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:4:1:1:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(CCHH)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]2)	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]O[5]C)(CCHH)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]2){2|C<3>,2|H<1>}	106.6520	1.007	2	106.6520	1.014	2	107.8247	0.992	7	108.2058	1.073	12	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:4:1:1:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)2	C(C[5]C[5]O[5]C)(CH3)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)2{1|H<1>,1|O<1>}	C(C[5]C[5]O[5]C)(CH3)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]O){2|H<1>}	109.0760	0.000	1	109.0760	0.000	1	107.8247	0.992	7	108.2058	1.073	12	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:4:1:1:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)2	C(C[5]C[5]O[5]C)(CHHS)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)2{1|H<1>,1|O<1>}	C(C[5]C[5]O[5]C)(CHHS)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]O){2|H<1>}	107.6990	0.000	1	107.6990	0.000	1	107.8247	0.992	7	108.2058	1.073	12	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:4:1:1:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)2	C(C[5]C[5]O[5]C)(CCHH)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)2{1|C<3>,1|O<1>}	C(C[5]C[5]O[5]C)(CCHH)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]O){1|C<3>,1|O<2>}	108.3665	0.057	2	108.3665	0.003	2	107.8247	0.992	7	108.2058	1.073	12	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:4:1:1:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(O[5]C[5])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(CCCH)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CCHH)(CH3){1|H<1>,3|C<3>}	C(C[5]C[5]O[5]C)(CCCH)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]C){1|C<3>,1|H<1>}	107.9610	0.000	1	107.9610	0.000	1	107.8247	0.992	7	108.2058	1.073	12	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:4:1:1:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]O)(O[5]C[5])(CC[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(C[5]C[5]O[5]C)(H)2	O[5](C[5]C[5]CC)(C[5]N[5]O)	C[5](C[5]N[5]O)(O[5]C[5])(CC[6]HH)(CH3){1|H<1>,1|O<1>}	C(C[6]C[6,6]C[6]H)(C[5]C[5]O[5]C)(H)2	O[5](C[5]C[5]CC)(C[5]N[5]O){1|H<1>,1|O<1>}	109.8330	0.000	1	109.8330	0.000	1	109.8330	0.000	1	108.2058	1.073	12	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:4:2:1:	3:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:O-2:H-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(CH3)	C(C[5]C[5]O[5]C)(CCHH)(OH)(H)	O[5](C[5]C[6a]C[5])(C[5]C[5]CC)	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]O[5]C)(CCHH)(OH)(H)	O[5](C[5]C[6a]C[5])(C[5]C[5]CC){1|H<1>,1|O<1>,2|C<3>}	108.8960	0.000	1	108.8960	0.000	1	110.6275	5.996	2	110.6275	5.996	2	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:4:2:1:	3:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:O-2:H-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]O)(O[5]C[5])(CCHO)(CH3)	C(C[5]C[5]O[5]C)(CCCH)(OC)(H)	O[5](C[5]C[6a]N[5])(C[5]C[5]CC)	C[5](C[5]N[5]O)(O[5]C[5])(CCHO)(CH3){1|C<3>}	C(C[5]C[5]O[5]C)(CCCH)(OC)(H)	O[5](C[5]C[6a]N[5])(C[5]C[5]CC){1|O<1>,2|C<3>}	112.3590	0.000	1	112.3590	0.000	1	110.6275	5.996	2	110.6275	5.996	2	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:4:2:1:	4:3:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHO)(CH3)	C(C[5]C[5,6a]O[5]C)(CHHO)(OH)(H)	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHO)(CH3){1|C<4>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(CHHO)(OH)(H)	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O){2|C<3>}	107.2980	0.528	2	107.2980	0.278	2	107.2980	0.278	2	107.2980	0.278	2	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:4:3:1:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:C-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]C)(O[5]C[5])(CCCH)(CH3)	C(C[5]C[5]O[5]C)(CH3)(CCH)(H)	O[5](C[5]C[5]CC)(C[5]N[5]O)	C[5](C[5]N[5]C)(O[5]C[5])(CCCH)(CH3){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]C)(CH3)(CCH)(H)	O[5](C[5]C[5]CC)(C[5]N[5]O){2|C<3>}	106.1260	0.000	1	106.1260	0.000	1	106.1260	0.000	1	106.1260	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:4:4:1:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]C)(O[5]C[5])(CCCH)2	C(C[5]C[5]O[5]C)(CH3)2(H)	O[5](C[5]C[5]CC)(C[5]N[5]C)	C[5](C[5]N[5]C)(O[5]C[5])(CCCH)2{1|C<3>}	C(C[5]C[5]O[5]C)(CH3)2(H)	O[5](C[5]C[5]CC)(C[5]N[5]C){1|C<3>}	106.7830	0.829	2	106.7830	0.687	2	106.7830	0.687	2	107.9267	4.267	3	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:4:4:1:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[6]-4:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]CH)(CH3)	C(C[5]C[5]O[5]C)(C[6]C[6]2H)(CCHH)(H)	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]CH)(CH3){1|Br<1>,1|O<1>}	C(C[5]C[5]O[5]C)(C[6]C[6]2H)(CCHH)(H)	O[5](C[5]C[5]CC)(C[5]C[5]O){1|Br<1>,1|H<1>}	110.2140	0.000	1	110.2140	0.000	1	110.2140	0.000	1	107.9267	4.267	3	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:2:4:4:	4:4:4:4:	4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(CC3)	C(C[5]C[5]O[5]C)(CH3)3	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(CC3){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]C)(CH3)3	O[5](C[5]C[5]CC)(C[5]C[5]O){1|C<4>,1|H<1>}	107.7580	0.000	1	107.7580	0.000	1	107.7580	0.000	1	107.7580	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:3:2:4:	4:1:1:1:	3:4:	N[5]-3:C[6a]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](N[5]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5,6a])(CH3)	C(C[5]C[6a]N[5]O[5])(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)	C[5](N[5]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5,6a])(CH3){2|H<1>,6|C<3>}	C(C[5]C[6a]N[5]O[5])(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C){1|H<1>,5|C<3>}	106.7900	0.000	1	106.7900	0.000	1	106.7900	0.000	1	106.7900	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:3:2:4:	4:1:1:1:	4:3:	C[5,6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O[5]C[5])(CH3)	C(C[5]C[5,6a]C[5]O[5])(H)3	O[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O[5]C[5])(CH3){1|O<2>,2|C<3>,2|O<1>,3|C<4>}	C(C[5]C[5,6a]C[5]O[5])(H)3	O[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]O){4|C<3>}	106.0450	0.000	1	106.0450	0.000	1	106.0450	0.000	1	106.5234	1.790	20	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:3:2:4:	4:1:1:1:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CH3)	C(C[5]C[5,6a]C[6a]O[5])(H)3	O[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CH3){1|O<1>,2|H<1>,5|C<3>}	C(C[5]C[5,6a]C[6a]O[5])(H)3	O[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O){4|C<3>}	106.0515	0.411	2	106.0515	0.169	2	106.0515	0.169	2	106.5234	1.790	20	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:3:2:4:	4:1:1:1:	4:3:	C[5]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]2)(C[5]C[5]H)(O[5]C[5])(CH3)	C(C[5]C[5]2O[5])(H)3	O[5](C[5]C[5]2C)(C[5]C[5]O)	C[5](C[5]C[5]2)(C[5]C[5]H)(O[5]C[5])(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C(C[5]C[5]2O[5])(H)3	O[5](C[5]C[5]2C)(C[5]C[5]O){2|C<3>,2|H<1>}	108.5580	0.836	2	108.5580	0.699	2	108.5580	0.699	2	106.5234	1.790	20	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:3:2:4:	4:1:1:1:	4:3:	C[5]-3:C[6a]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(CH3)	C(C[5]C[6a]C[5]O[5])(H)3	O[5](C[5]C[6a]C[5]C)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(CH3){1|Cl<1>,1|H<1>,6|C<3>}	C(C[5]C[6a]C[5]O[5])(H)3	O[5](C[5]C[6a]C[5]C)(C[5]C[5]C){4|C<3>}	106.4670	0.000	1	106.4670	0.000	1	106.1583	0.307	3	106.5234	1.790	20	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:3:2:4:	4:1:1:1:	4:3:	C[5]-3:C[6a]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(CH3)	C(C[5]C[6a]C[5]O[5])(H)3	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(CH3){1|Cl<1>,1|H<1>,1|O<1>,5|C<3>}	C(C[5]C[6a]C[5]O[5])(H)3	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O){4|C<3>}	106.0040	0.686	2	106.0040	0.470	2	106.1583	0.307	3	106.5234	1.790	20	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:3:2:4:	4:1:1:1:	4:3:	C[5a]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[5]-3:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)(O[5]C[5])(CF3)	C(C[5]C[5a]C[5]O[5])(F)3	O[5](C[5]C[5a]C[5]C)(C[5]C[5]N)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)(O[5]C[5])(CF3){1|H<1>,1|N<2>,3|C<3>}	C(C[5]C[5a]C[5]O[5])(F)3	O[5](C[5]C[5a]C[5]C)(C[5]C[5]N){1|H<1>,1|S<2>,2|C<3>}	104.7080	0.000	1	104.7080	0.000	1	104.7080	0.000	1	106.5234	1.790	20	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:3:2:4:	4:1:1:1:	4:3:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:Br-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CBrHH)	C(C[5]C[6a]C[5]O[5])(Br)(H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]N)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CBrHH){1|N<2>,2|H<1>,3|C<3>}	C(C[5]C[6a]C[5]O[5])(Br)(H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]N){4|C<3>}	107.0210	0.000	1	107.0210	0.000	1	107.0210	0.000	1	106.5234	1.790	20	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:3:2:4:	4:1:1:1:	4:3:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(CF3)	C(C[5]C[6a]C[5]O[5])(F)3	O[5](C[5]C[6a]C[5]C)(C[5]C[5]N)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(CF3){1|N<2>,2|H<1>,3|C<3>}	C(C[5]C[6a]C[5]O[5])(F)3	O[5](C[5]C[6a]C[5]C)(C[5]C[5]N){1|H<1>,3|C<3>}	105.0950	0.718	4	105.0950	0.516	4	105.0950	0.516	4	106.5234	1.790	20	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:3:2:4:	4:1:1:1:	4:3:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CH3)	C(C[5]C[6a]C[5]O[5])(H)3	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CH3){2|H<1>,4|C<3>}	C(C[5]C[6a]C[5]O[5])(H)3	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5]){6|C<3>}	105.5390	0.000	1	105.5390	0.000	1	105.5390	0.000	1	106.5234	1.790	20	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:3:2:4:	4:1:1:1:	4:3:	C[6a]-3:N[5]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(CH3)	C(C[5]C[6a]N[5]O[5])(H)3	O[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(CH3){1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[6a]N[5]O[5])(H)3	O[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5]){5|C<3>}	107.5030	0.000	1	107.8162	0.147	5	107.8162	0.147	5	106.5234	1.790	20	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:3:2:4:	4:1:1:1:	4:3:	C[6a]-3:N[5]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(CH3)	C(C[5]C[6a]N[5]O[5])(H)3	O[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5]C)(O[5]C[5])(CH3){2|H<1>,3|C<3>}	C(C[5]C[6a]N[5]O[5])(H)3	O[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5]){5|C<3>}	107.8945	0.394	4	107.8162	0.147	5	107.8162	0.147	5	106.5234	1.790	20	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:3:2:4:	4:2:1:1:	4:3:	C[5,6a]-3:C[6a]-3:O[5]-2:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CHHO)	C(C[5]C[5,6a]C[6a]O[5])(OH)(H)2	O[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CHHO){1|O<1>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]O[5])(OH)(H)2	O[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O){4|C<3>}	105.9510	0.000	1	105.9510	0.000	1	105.9510	0.000	1	105.9510	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:3:2:4:	4:3:1:1:	4:2:	N[5]-3:C[6a]-3:O[5]-2:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-2:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]N[5])(CCHH)	C(C[5]C[6a]N[5]O[5])(CNS)(H)2	O[5](C[5]C[6a]N[5]C)(N[5]C[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]N[5])(CCHH){2|H<1>,5|C<3>}	C(C[5]C[6a]N[5]O[5])(CNS)(H)2	O[5](C[5]C[6a]N[5]C)(N[5]C[5]){4|C<3>}	109.4130	0.000	1	109.4130	0.000	1	109.4130	0.000	1	109.4130	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:3:2:4:	4:3:1:1:	4:3:	C[5]-3:C[6a]-3:O[5]-2:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(CCHH)	C(C[5]C[6a]C[5]O[5])(COO)(H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(CCHH){1|O<1>,2|H<1>,5|C<3>}	C(C[5]C[6a]C[5]O[5])(COO)(H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O){4|C<3>}	108.4060	0.000	1	108.4060	0.000	1	108.4060	0.000	1	107.9052	1.012	5	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:3:2:4:	4:3:1:1:	4:3:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(CCHH)	C(C[5]C[6a]C[5]O[5])(CCC)(H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(CCHH){1|O<1>,2|H<1>,3|C<3>}	C(C[5]C[6a]C[5]O[5])(CCC)(H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O){1|H<1>,3|C<3>}	107.5570	0.000	1	107.5570	0.000	1	107.3023	0.498	3	107.9052	1.012	5	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:3:2:4:	4:3:1:1:	4:3:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(CCHH)	C(C[5]C[6a]C[5]O[5])(CC[6a]O)(H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(CCHH){1|O<1>,2|H<1>,3|C<3>}	C(C[5]C[6a]C[5]O[5])(CC[6a]O)(H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O){1|H<1>,3|C<3>}	106.5050	0.000	1	106.5050	0.000	1	107.3023	0.498	3	107.9052	1.012	5	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:3:2:4:	4:3:1:1:	4:3:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(CCHH)	C(C[5]C[6a]C[5]O[5])(CCH)(H)2	O[5](C[5]C[6a]C[5]C)(C[5]N[5]O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(CCHH){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C(C[5]C[6a]C[5]O[5])(CCH)(H)2	O[5](C[5]C[6a]C[5]C)(C[5]N[5]O){1|O<1>,1|S<4>,2|C<3>}	107.8450	0.000	1	107.8450	0.000	1	107.3023	0.498	3	107.9052	1.012	5	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:3:2:4:	4:3:1:1:	4:3:	C[6a]-3:N[5]-3:O[5]-2:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]C[5]O)(O[5]C[5])(CCHH)	C(C[5]C[6a]N[5]O[5])(CCO)(H)2	O[5](C[5]C[6a]N[5]C)(C[5]C[5]C)	C[5](C[6a]C[6a]2)(N[5]C[5]O)(O[5]C[5])(CCHH){1|C<4>,2|H<1>,3|C<3>}	C(C[5]C[6a]N[5]O[5])(CCO)(H)2	O[5](C[5]C[6a]N[5]C)(C[5]C[5]C){1|C<4>,1|O<1>,2|C<3>}	109.2130	0.000	1	109.2130	0.000	1	109.2130	0.000	1	107.9052	1.012	5	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:3:2:4:	4:4:1:1:	4:2:	N[5]-3:C[6a]-3:O[5]-2:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-2:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]N[5])(CCHH)	C(C[5]C[6a]N[5]O[5])(CC[6a]HN)(H)2	O[5](C[5]C[6a]N[5]C)(N[5]C[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]N[5])(CCHH){2|H<1>,5|C<3>}	C(C[5]C[6a]N[5]O[5])(CC[6a]HN)(H)2	O[5](C[5]C[6a]N[5]C)(N[5]C[5]){4|C<3>}	108.8490	0.000	1	108.8490	0.000	1	108.8490	0.000	1	108.8490	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:3:2:4:	4:4:1:1:	4:3:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(CCHH)	C(C[5]C[6a]C[5]O[5])(CCHH)(H)2	O[5](C[5]C[6a]C[5]C)(C[5]N[5]O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(CCHH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[6a]C[5]O[5])(CCHH)(H)2	O[5](C[5]C[6a]C[5]C)(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>}	108.3340	0.000	1	108.3340	0.000	1	108.3340	0.000	1	108.3340	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:3:2:4:	4:4:3:1:	4:3:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:C-4:C-3:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(CCCH)	C(C[5]C[6a]C[5]O[5])(CH3)(CCH)(H)	O[5](C[5]C[6a]C[5]C)(C[5]N[5]O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(CCCH){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C(C[5]C[6a]C[5]O[5])(CH3)(CCH)(H)	O[5](C[5]C[6a]C[5]C)(C[5]N[5]O){1|O<1>,1|S<4>,2|C<3>}	108.5580	0.000	1	108.5580	0.000	1	108.5580	0.000	1	108.5580	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:3:4:2:	4:3:1:1:	4:3:	C[6a]-3:N[5]-3:C-4:O[5]-2:	C[5]-4:N[5a]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(N[5]N[5]C)(CN[5a]HH)(O[5]C[5])	C(C[5]C[6a]N[5]O[5])(N[5a]C[5a]N[5a])(H)2	O[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5]C)(CN[5a]HH)(O[5]C[5]){2|H<1>,3|C<3>}	C(C[5]C[6a]N[5]O[5])(N[5a]C[5a]N[5a])(H)2	O[5](C[5]C[6a]N[5]C)(C[5]C[6a]N[5]){5|C<3>}	107.2930	0.000	1	107.2930	0.000	1	107.2930	0.000	1	107.2930	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:3:4:2:	4:3:3:1:	4:3:	C[6a]-3:C[5]-3:C-4:O[5]-2:	C[5]-4:C[6a]-3:C-3:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(CC[6a]CH)(O[5]C[5])	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(CCC)(H)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(CC[6a]CH)(O[5]C[5]){1|O<1>,2|C<3>,3|H<1>}	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(CCC)(H)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O){2|C<3>,2|H<1>}	108.9290	0.000	1	108.9290	0.000	1	107.2805	5.435	2	107.2805	5.435	2	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:3:4:2:	4:3:3:1:	4:3:	C[6a]-3:C[5]-3:C-4:O[5]-2:	C[5]-4:C[6a]-3:C-3:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(CC[6a]CH)(O[5]C[5])	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(CC[6a]O)(H)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(CC[6a]CH)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(CC[6a]O)(H)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O){1|C<4>,1|H<1>,2|C<3>}	105.6320	0.000	1	105.6320	0.000	1	107.2805	5.435	2	107.2805	5.435	2	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:3:4:2:	4:3:4:1:	4:3:	C[5,6a]-3:C[6a]-3:C-4:O[5]-2:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CC[6a]CH)(O[5]C[5])	C(C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(CCHH)(H)	O[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CC[6a]CH)(O[5]C[5]){1|O<1>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]O[5])(C[6a]C[6a]2)(CCHH)(H)	O[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O){4|C<3>}	107.3950	0.000	1	107.3950	0.000	1	107.3950	0.000	1	108.7450	1.367	3	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:3:4:2:	4:3:4:1:	4:3:	C[6a]-3:C[5]-3:C-4:O[5]-2:	C[5]-4:C[5a]-3:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(CC[5a]CH)(O[5]C[5])	C(C[5]C[6a]C[5]O[5])(C[5a]C[5a]S[5a])(CCHH)(H)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(CC[5a]CH)(O[5]C[5]){1|O<1>,2|C<3>,3|H<1>}	C(C[5]C[6a]C[5]O[5])(C[5a]C[5a]S[5a])(CCHH)(H)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O){2|C<3>,2|H<1>}	109.4110	0.000	1	109.4110	0.000	1	109.4110	0.000	1	108.7450	1.367	3	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:3:4:2:	4:3:4:1:	4:3:	C[6a]-3:C[5]-3:C-4:O[5]-2:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]CH)(O[5]C[5])	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(CHHN)(H)	O[5](C[5]C[6a]C[5]C)(C[5]N[5]O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]CH)(O[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(CHHN)(H)	O[5](C[5]C[6a]C[5]C)(C[5]N[5]O){1|O<1>,3|C<3>}	109.4290	0.000	1	109.4290	0.000	1	109.4290	0.000	1	108.7450	1.367	3	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:1:	3:4:2:1:	4:3:	C[5]-3:C-4:O[5]-2:H-1:	C[5a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N)(CC[5a]HO)(O[5]C[5])(H)	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]H)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]N)(CC[5a]HO)(O[5]C[5])(H){1|Cl<1>,1|O<1>}	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]H)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|Cl<1>,1|N<3>}	108.9095	0.832	2	108.9095	0.693	2	108.9095	0.693	2	108.9095	0.693	2	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:1:	3:4:3:2:	4:3:	C[5]-3:C-4:O[5]-2:H-1:	C[5a]-3:C[5]-4:C-3:O-2:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(CC[5a]CO)(O[5]C[5])(H)	C(C[5a]C[5a]S[5a])(C[5]C[5]O[5]H)(COO)(OH)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(CC[5a]CO)(O[5]C[5])(H){1|H<1>,1|O<1>}	C(C[5a]C[5a]S[5a])(C[5]C[5]O[5]H)(COO)(OH)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|H<1>}	108.9550	0.000	1	108.9550	0.000	1	108.9550	0.000	1	108.9550	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:1:	3:4:4:1:	4:3:	C[5]-3:C-4:O[5]-2:H-1:	C[5a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(CC[5a]CH)(O[5]C[5])(H)	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]H)(CCHH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(CC[5a]CH)(O[5]C[5])(H){1|H<1>,1|O<1>}	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]H)(CCHH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|H<1>}	109.1510	0.000	1	109.1510	0.000	1	109.1510	0.000	1	109.1510	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:1:	4:3:1:1:	4:3:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]Au)(CC[6a]HH)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]Au)(CC[6a]HH)(O[5]C[5])(H){1|C<4>,1|O<2>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O){1|Au<2>,1|C<4>}	106.5970	0.000	1	106.5970	0.000	1	108.4770	7.069	2	108.4770	7.069	2	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:1:	4:3:1:1:	4:3:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(CC[6a]HH)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]C)(CC[6a]HH)(O[5]C[5])(H){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<2>,1|C<4>}	110.3570	0.000	1	110.3570	0.000	1	108.4770	7.069	2	108.4770	7.069	2	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:1:	4:3:2:1:	4:3:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(CC[6a]HO)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(CC[6a]HO)(O[5]C[5])(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|H<1>}	108.6625	0.579	2	108.6625	0.335	2	108.3167	0.526	3	108.3167	0.526	3	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:1:	4:3:2:1:	4:3:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5]O[5]C)(CC[6a]HO)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]O)	C[5](C[5]O[5]C)(CC[6a]HO)(O[5]C[5])(H){1|O<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]O){1|C<3>}	107.6250	0.000	1	107.6250	0.000	1	108.3167	0.526	3	108.3167	0.526	3	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:1:	4:3:3:1:	4:3:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]C)(CC[6a]CH)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]C)(CC[6a]CH)(O[5]C[5])(H){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>}	109.0500	0.000	1	109.0500	0.000	1	110.1630	2.478	2	109.8203	1.495	4	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:1:	4:3:3:1:	4:3:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCC)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCC)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|H<1>}	111.2760	0.000	1	111.2760	0.000	1	110.1630	2.478	2	109.8203	1.495	4	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:1:	4:3:3:1:	4:3:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(CC[6a]2H)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(CC[6a]2H)(O[5]C[5])(H){1|O<1>,3|C<3>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|C<3>}	110.3540	0.000	1	110.3540	0.000	1	110.3540	0.000	1	109.8203	1.495	4	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:1:	4:3:3:1:	4:3:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:N-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N[5])(CC[6a]HN)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NC[6a]N)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]N[5])(CC[6a]HN)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NC[6a]N)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,1|N<3>}	108.6010	0.000	1	108.6010	0.000	1	108.6010	0.000	1	109.8203	1.495	4	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:1:	4:3:3:2:	4:3:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C-3:O-2:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(CC[6a]CO)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(COO)(OH)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(CC[6a]CO)(O[5]C[5])(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(COO)(OH)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|H<1>}	108.4769	0.590	8	108.4769	0.348	8	108.4769	0.348	8	108.4769	0.348	8	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:1:	4:3:3:3:	4:3:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:N-3:C-3:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(CC[6a]CN)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NC[6a]H)(COO)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(CC[6a]CN)(O[5]C[5])(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NC[6a]H)(COO)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|H<1>}	107.9330	0.000	1	107.9330	0.000	1	107.9330	0.000	1	107.9330	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:1:	4:3:4:1:	4:3:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCHH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(H){1|Br<1>,1|O<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCHH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|Br<1>,1|H<1>}	109.9020	0.000	1	109.9250	0.200	3	109.2221	0.841	8	109.2221	0.841	8	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:1:	4:3:4:1:	4:3:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCHH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCHH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|H<1>}	109.9365	0.631	2	109.9250	0.200	3	109.2221	0.841	8	109.2221	0.841	8	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:1:	4:3:4:1:	4:3:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHHN)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHHN)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|H<1>}	108.5520	0.000	1	109.1350	0.291	4	109.2221	0.841	8	109.2221	0.841	8	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:1:	4:3:4:1:	4:3:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHHN)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(H){1|O<1>,1|S<2>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHHN)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|H<1>,1|S<2>}	109.3293	0.459	3	109.1350	0.291	4	109.2221	0.841	8	109.2221	0.841	8	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:1:	4:3:4:1:	4:3:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(CC[6a]CH)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CH3)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(CC[6a]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CH3)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,1|O<2>}	107.4620	0.000	1	107.4620	0.000	1	109.2221	0.841	8	109.2221	0.841	8	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:1:	4:3:4:2:	4:3:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:P-4:O-2:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(CC[6a]OP)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(PO3)(OH)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]H)(CC[6a]OP)(O[5]C[5])(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(PO3)(OH)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|H<1>}	111.7690	0.000	1	111.7690	0.000	1	111.7690	0.000	1	111.7690	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:2:	4:3:4:1:	4:3:	C[6a]-3:C-4:N[5]-2:O[5]-2:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(CC[6a]CH)(N[5]C[5])(O[5]C[5])	C(C[5]C[6a]N[5]O[5])(C[6a]C[6a]2)(CCHH)(H)	O[5](C[5]C[6a]N[5]C)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(CC[6a]CH)(N[5]C[5])(O[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	C(C[5]C[6a]N[5]O[5])(C[6a]C[6a]2)(CCHH)(H)	O[5](C[5]C[6a]N[5]C)(C[5]C[5]O){3|C<3>}	109.8040	0.000	1	109.8040	0.000	1	109.8040	0.000	1	109.8040	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:3:	4:3:1:1:	4:3:	C[5,6a]-3:C-4:O[5]-2:C-3:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HH)(O[5]C[5])(COO)	C(C[5]C[5,6a]O[5]C)(C[6a]C[6a]2)(H)2	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HH)(O[5]C[5])(COO){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(C[6a]C[6a]2)(H)2	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O){2|C<3>}	110.1380	0.000	1	110.1380	0.000	1	110.1380	0.000	1	108.2813	2.588	3	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:3:	4:3:1:1:	4:3:	C[5]-3:C-4:O[5]-2:C-3:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(CC[6a]HH)(O[5]C[5])(COO)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(CC[6a]HH)(O[5]C[5])(COO){1|O<1>,1|O<2>,2|C<3>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]O){1|C<3>,1|O<2>}	107.3530	0.078	2	107.3530	0.006	2	107.3530	0.006	2	108.2813	2.588	3	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:3:	4:3:3:1:	4:3:	C[5,6a]-3:C-4:O[5]-2:C-3:	C[5]-4:C[6a]-3:C-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]CH)(O[5]C[5])(COO)	C(C[5]C[5,6a]O[5]C)(C[6a]C[6a]2)(CCC)(H)	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]CH)(O[5]C[5])(COO){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(C[6a]C[6a]2)(CCC)(H)	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O){2|C<3>}	110.5590	0.000	1	110.5590	0.000	1	110.5590	0.000	1	110.5590	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:4:	3:4:3:1:	4:3:	C[5]-3:C-4:O[5]-2:C-4:	C[5a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(CC[5a]HN)(O[5]C[5])(CH3)	C(C[5a]C[5a]S[5a])(C[5]C[5]O[5]C)(NC[6a]H)(H)	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]H)(CC[5a]HN)(O[5]C[5])(CH3){1|H<1>,1|O<1>}	C(C[5a]C[5a]S[5a])(C[5]C[5]O[5]C)(NC[6a]H)(H)	O[5](C[5]C[5]CC)(C[5]C[5]O){2|H<1>}	108.2960	0.000	1	108.2960	0.000	1	108.2960	0.000	1	108.2960	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:4:	3:4:4:1:	4:3:	C[5]-3:C-4:O[5]-2:C-4:	C[5a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(CC[5a]CH)(O[5]C[5])(CH3)	C(C[5a]C[5a]S[5a])(C[5]C[5]O[5]C)(CCHH)(H)	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]H)(CC[5a]CH)(O[5]C[5])(CH3){1|H<1>,1|O<1>}	C(C[5a]C[5a]S[5a])(C[5]C[5]O[5]C)(CCHH)(H)	O[5](C[5]C[5]CC)(C[5]C[5]O){2|H<1>}	108.4460	0.000	1	108.4460	0.000	1	108.4460	0.000	1	108.4460	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:4:	4:1:1:1:	3:4:	C[5]-3:C-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5]O)(CC[6a]CH)(O[5]C[5])(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[6a]C[5])(C[5]C[5]CC)	C[5](C[5]C[5]O)(CC[6a]CH)(O[5]C[5])(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[6a]C[5])(C[5]C[5]CC){1|H<1>,1|O<1>,2|C<3>}	107.6270	0.000	1	107.6270	0.000	1	108.8133	1.056	3	108.8133	1.056	3	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:4:	4:1:1:1:	3:4:	C[5]-3:C-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]O)(CC[6a]2H)(O[5]C[5])(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[6a]N[5])(C[5]C[5]CC)	C[5](C[5]N[5]O)(CC[6a]2H)(O[5]C[5])(CH3){1|C<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[6a]N[5])(C[5]C[5]CC){1|O<1>,2|C<3>}	109.4340	0.000	1	109.4340	0.000	1	108.8133	1.056	3	108.8133	1.056	3	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:4:	4:1:1:1:	3:4:	C[5]-3:C-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]O)(CC[6a]CH)(O[5]C[5])(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[6a]N[5])(C[5]C[5]CC)	C[5](C[5]N[5]O)(CC[6a]CH)(O[5]C[5])(CH3){1|C<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[6a]N[5])(C[5]C[5]CC){1|O<1>,2|C<3>}	109.3790	0.000	1	109.3790	0.000	1	108.8133	1.056	3	108.8133	1.056	3	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:4:	4:1:1:1:	4:2:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(CH3)	C(C[5]C[6a]C[5]O[5])(H)3	O[5](C[5]C[6a]C[5]C)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(CH3){2|H<1>,3|C<3>}	C(C[5]C[6a]C[5]O[5])(H)3	O[5](C[5]C[6a]C[5]C)(N[5]C[5]){2|H<1>,3|C<3>}	106.6460	0.000	1	106.6460	0.000	1	106.6460	0.000	1	106.6460	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:4:	4:1:1:1:	4:3:	C[5]-3:C-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(CC[5a]CH)(O[5]C[5])(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]H)(CC[5a]CH)(O[5]C[5])(CH3){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O){2|H<1>}	108.1920	0.000	1	108.1920	0.000	1	108.2824	0.356	8	106.8672	2.797	19	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:4:	4:1:1:1:	4:3:	C[5]-3:C-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(CC[5a]HN)(O[5]C[5])(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]H)(CC[5a]HN)(O[5]C[5])(CH3){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O){2|H<1>}	107.6450	0.000	1	107.6450	0.000	1	108.2824	0.356	8	106.8672	2.797	19	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:4:	4:1:1:1:	4:3:	C[5]-3:C-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(CH3){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O){1|C<4>,1|H<1>}	108.4150	0.000	1	108.4037	0.398	6	108.2824	0.356	8	106.8672	2.797	19	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:4:	4:1:1:1:	4:3:	C[5]-3:C-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(CH3){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O){2|H<1>}	108.4014	0.706	5	108.4037	0.398	6	108.2824	0.356	8	106.8672	2.797	19	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:4:	4:1:1:1:	4:3:	C[5a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5a]C[5a]S[5a])(C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	C(C[5]C[5a]C[5]O[5])(H)3	O[5](C[5]C[5a]C[5]C)(C[5]N[5]S)	C[5](C[5a]C[5a]S[5a])(C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|S<1>,2|H<1>,4|C<3>}	C(C[5]C[5a]C[5]O[5])(H)3	O[5](C[5]C[5a]C[5]C)(C[5]N[5]S){1|S<2>,2|C<3>,2|H<1>}	107.3430	0.000	1	107.3430	0.000	1	107.3430	0.000	1	106.8672	2.797	19	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:4:	4:1:1:1:	4:3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:Br-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CBrHH)	C(C[5]C[6a]C[5]O[5])(Br)(H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CBrHH){1|O<1>,2|C<3>,4|H<1>}	C(C[5]C[6a]C[5]O[5])(Br)(H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O){2|C<3>,4|H<1>}	107.2810	0.000	1	107.2810	0.000	1	107.2810	0.000	1	106.8672	2.797	19	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:4:	4:1:1:1:	4:3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CF3)	C(C[5]C[6a]C[5]O[5])(F)3	O[5](C[5]C[6a]C[5]C)(C[5]C[5]C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CF3){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C(C[5]C[6a]C[5]O[5])(F)3	O[5](C[5]C[6a]C[5]C)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	104.6620	0.000	1	104.8225	0.052	2	104.0940	1.618	3	106.8672	2.797	19	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:4:	4:1:1:1:	4:3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CF3)	C(C[5]C[6a]C[5]O[5])(F)3	O[5](C[5]C[6a]C[5]C)(C[5]C[5]C)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CF3){1|N<3>,3|C<3>,3|H<1>}	C(C[5]C[6a]C[5]O[5])(F)3	O[5](C[5]C[6a]C[5]C)(C[5]C[5]C){2|C<3>,4|H<1>}	104.9830	0.000	1	104.8225	0.052	2	104.0940	1.618	3	106.8672	2.797	19	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:4:	4:1:1:1:	4:3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(CF3)	C(C[5]C[6a]C[5]O[5])(F)3	O[5](C[5]C[6a]C[5]C)(C[5]N[5]H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]C[5])(CF3){1|Br<1>,2|C<3>,2|H<1>}	C(C[5]C[6a]C[5]O[5])(F)3	O[5](C[5]C[6a]C[5]C)(C[5]N[5]H){1|H<1>,3|C<3>}	102.6370	0.000	1	102.6370	0.000	1	104.0940	1.618	3	106.8672	2.797	19	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:4:	4:1:1:1:	4:3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(CH3)	C(C[5]C[6a]C[5]O[5])(H)3	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(CH3){1|O<1>,2|C<3>,4|H<1>}	C(C[5]C[6a]C[5]O[5])(H)3	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	107.0700	0.000	1	107.0700	0.000	1	106.2187	0.520	6	106.8672	2.797	19	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:4:	4:1:1:1:	4:3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(CH3)	C(C[5]C[6a]C[5]O[5])(H)3	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(CH3){1|O<1>,2|C<3>,4|H<1>}	C(C[5]C[6a]C[5]O[5])(H)3	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O){1|F<1>,2|C<3>,3|H<1>}	106.7140	0.000	1	106.7140	0.000	1	106.2187	0.520	6	106.8672	2.797	19	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:4:	4:1:1:1:	4:3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CH3)	C(C[5]C[6a]C[5]O[5])(H)3	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CH3){1|O<1>,3|C<3>,3|H<1>}	C(C[5]C[6a]C[5]O[5])(H)3	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O){3|C<3>,3|H<1>}	105.6095	0.894	2	105.6095	0.800	2	106.2187	0.520	6	106.8672	2.797	19	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:4:	4:1:1:1:	4:3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CH3)	C(C[5]C[6a]C[5]O[5])(H)3	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CH3){2|H<1>,4|C<3>}	C(C[5]C[6a]C[5]O[5])(H)3	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5]){2|H<1>,5|C<3>}	106.3530	0.000	1	106.3530	0.000	1	106.2187	0.520	6	106.8672	2.797	19	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:4:	4:1:1:1:	4:3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(O[5]C[5])(CH3)	C(C[5]C[6a]C[5]O[5])(H)3	O[5](C[5]C[6a]C[5]C)(C[5]N[5]S)	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(O[5]C[5])(CH3){1|S<1>,2|C<3>,3|H<1>}	C(C[5]C[6a]C[5]O[5])(H)3	O[5](C[5]C[6a]C[5]C)(C[5]N[5]S){1|C<4>,1|H<1>,3|C<3>}	105.9560	0.000	1	105.9560	0.000	1	106.2187	0.520	6	106.8672	2.797	19	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:4:	4:2:1:1:	4:3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:Se-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CSeHH)	C(C[5]C[6a]C[5]O[5])(SeC[6a])(H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CSeHH){1|O<1>,2|C<3>,4|H<1>}	C(C[5]C[6a]C[5]O[5])(SeC[6a])(H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O){2|C<3>,4|H<1>}	107.7400	0.000	1	107.7400	0.000	1	107.7400	0.000	1	107.7400	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:4:	4:3:3:1:	3:4:	C[5]-3:C-4:O[5]-2:C-4:	C[5]-4:C[6a]-3:C-3:H-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]O)(CC[6a]CH)(O[5]C[5])(CH3)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCC)(H)	O[5](C[5]C[6a]N[5])(C[5]C[5]CC)	C[5](C[5]N[5]O)(CC[6a]CH)(O[5]C[5])(CH3){1|C<3>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCC)(H)	O[5](C[5]C[6a]N[5])(C[5]C[5]CC){1|O<1>,2|C<3>}	110.9010	0.000	1	110.9010	0.000	1	110.9010	0.000	1	110.4485	0.410	2	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:4:	4:3:3:1:	3:4:	C[5]-3:C-4:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]O)(CC[6a]2H)(O[5]C[5])(CH3)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)2(H)	O[5](C[5]C[6a]N[5])(C[5]C[5]CC)	C[5](C[5]N[5]O)(CC[6a]2H)(O[5]C[5])(CH3){1|C<3>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)2(H)	O[5](C[5]C[6a]N[5])(C[5]C[5]CC){1|O<1>,2|C<3>}	109.9960	0.000	1	109.9960	0.000	1	109.9960	0.000	1	110.4485	0.410	2	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:4:	4:3:4:1:	3:4:	C[5]-3:C-4:O[5]-2:C-4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5]O)(CC[6a]CH)(O[5]C[5])(CH3)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCHH)(H)	O[5](C[5]C[6a]C[5])(C[5]C[5]CC)	C[5](C[5]C[5]O)(CC[6a]CH)(O[5]C[5])(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCHH)(H)	O[5](C[5]C[6a]C[5])(C[5]C[5]CC){1|H<1>,1|O<1>,2|C<3>}	109.5950	0.000	1	109.5950	0.000	1	107.6417	3.188	3	107.6417	3.188	3	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:4:	4:3:4:1:	3:4:	C[5]-3:C-4:O[5]-2:C-4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]O)(CC[6a]CH)(O[5]C[5])(CCHH)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCHH)(H)	O[5](C[5]C[6a]N[5])(C[5]C[5]CC)	C[5](C[5]N[5]O)(CC[6a]CH)(O[5]C[5])(CCHH){1|C<3>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCHH)(H)	O[5](C[5]C[6a]N[5])(C[5]C[5]CC){1|O<1>,2|C<3>}	106.6650	0.808	2	106.6650	0.652	2	107.6417	3.188	3	107.6417	3.188	3	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:4:	4:3:4:1:	4:3:	C[5]-3:C-4:O[5]-2:C-4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(CH3)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCHH)(H)	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(CH3){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCHH)(H)	O[5](C[5]C[5]CC)(C[5]C[5]O){2|H<1>}	109.5620	0.000	1	109.5620	0.000	1	108.7655	1.010	6	108.7655	1.010	6	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:4:	4:3:4:1:	4:3:	C[5]-3:C-4:O[5]-2:C-4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(CH3)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHN)(H)	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(CH3){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHN)(H)	O[5](C[5]C[5]CC)(C[5]C[5]O){1|C<4>,1|H<1>}	109.7900	0.000	1	108.6910	1.382	4	108.7655	1.010	6	108.7655	1.010	6	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:4:	4:3:4:1:	4:3:	C[5]-3:C-4:O[5]-2:C-4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(CH3)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHN)(H)	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(CH3){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHN)(H)	O[5](C[5]C[5]CC)(C[5]C[5]O){2|H<1>}	108.3247	1.126	3	108.6910	1.382	4	108.7655	1.010	6	108.7655	1.010	6	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:4:	4:3:4:1:	4:3:	C[5]-3:C-4:O[5]-2:C-4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(CH3)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHS)(H)	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(CH3){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHS)(H)	O[5](C[5]C[5]CC)(C[5]C[5]O){2|H<1>}	108.2670	0.000	1	108.2670	0.000	1	108.7655	1.010	6	108.7655	1.010	6	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:4:	4:4:1:1:	3:4:	C[5]-3:C-4:O[5]-2:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]O)(CC[6a]CH)(O[5]C[5])(CCHH)	C(C[5]C[5]O[5]C)(CCHH)(H)2	O[5](C[5]C[6a]N[5])(C[5]C[5]CC)	C[5](C[5]N[5]O)(CC[6a]CH)(O[5]C[5])(CCHH){1|C<3>}	C(C[5]C[5]O[5]C)(CCHH)(H)2	O[5](C[5]C[6a]N[5])(C[5]C[5]CC){1|O<1>,2|C<3>}	107.5090	0.751	2	107.5090	0.564	2	107.5090	0.564	2	107.5090	0.564	2	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:4:	4:4:1:1:	4:3:	C[5,6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(O[5]C[5])(CCHH)	C(C[5]C[5,6a]C[5]O[5])(CH3)(H)2	O[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]H)(O[5]C[5])(CCHH){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5]O[5])(CH3)(H)2	O[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	109.4100	0.000	1	109.4100	0.000	1	109.4100	0.000	1	107.8305	5.548	4	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:4:	4:4:1:1:	4:3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CCHH)	C(C[5]C[6a]C[5]O[5])(CC[5a]HH)(H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CCHH){1|O<1>,3|C<3>,3|H<1>}	C(C[5]C[6a]C[5]O[5])(CC[5a]HH)(H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O){3|C<3>,3|H<1>}	109.0660	0.000	1	109.0660	0.000	1	106.7040	11.158	2	107.8305	5.548	4	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:4:	4:4:1:1:	4:3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(CCHH)	C(C[5]C[6a]C[5]O[5])(CFFH)(H)2	O[5](C[5]C[6a]C[5]C)(C[5]N[5]N)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]C[5])(CCHH){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C(C[5]C[6a]C[5]O[5])(CFFH)(H)2	O[5](C[5]C[6a]C[5]C)(C[5]N[5]N){1|C<4>,2|C<3>,2|H<1>}	104.3420	0.000	1	104.3420	0.000	1	106.7040	11.158	2	107.8305	5.548	4	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:2:4:	4:4:1:1:	4:3:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:C[6]-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CC[6]HH)	C(C[5]C[6a]C[5]O[5])(C[6]C[6]2H)(H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CC[6]HH){1|O<1>,2|C<3>,4|H<1>}	C(C[5]C[6a]C[5]O[5])(C[6]C[6]2H)(H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O){2|C<3>,4|H<1>}	108.5040	0.000	1	108.5040	0.000	1	108.5040	0.000	1	107.8305	5.548	4	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:4:2:	4:3:1:1:	3:4:	C[5]-3:C-4:C-4:O[5]-2:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]O)(CC[6a]HH)2(O[5]C[5])	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(H)2	O[5](C[5]C[6a]N[5])(C[5]C[5]CC)	C[5](C[5]N[5]O)(CC[6a]HH)2(O[5]C[5]){1|C<3>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(H)2	O[5](C[5]C[6a]N[5])(C[5]C[5]CC){1|O<1>,2|C<3>}	109.1015	1.404	2	109.1015	1.970	2	109.1015	1.970	2	109.1015	1.970	2	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	3:4:4:2:	4:3:1:1:	4:3:	C[6a]-3:C[5]-4:C-4:O[5]-2:	C[5]-4:N[5a]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CN[5a]HH)(O[5]C[5])	C(C[5]C[6a]C[5]O[5])(N[5a]C[5a]N[5a])(H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CN[5a]HH)(O[5]C[5]){1|O<1>,2|C<3>,4|H<1>}	C(C[5]C[6a]C[5]O[5])(N[5a]C[5a]N[5a])(H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]O){2|C<3>,4|H<1>}	107.9630	0.000	1	107.9630	0.000	1	107.9630	0.000	1	107.9630	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:2:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:O-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]O[5]CC)(O[5]C[5])(OC[5])(CH3)	C(C[5]C[5]O[5]O)(H)3	O[5](C[5]C[5]CO)(C[5]O[5]O)	C[5](C[5]O[5]CC)(O[5]C[5])(OC[5])(CH3){1|O<1>}	C(C[5]C[5]O[5]O)(H)3	O[5](C[5]C[5]CO)(C[5]O[5]O){2|C<4>}	109.6600	0.000	1	109.6600	0.000	1	109.6600	0.000	1	109.6600	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:2:4:	4:4:4:4:	4:3:	C[5]-4:N[5]-2:O[5]-2:C-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]2H)(N[5]C[5])(O[5]C[5])(CC3)	C(C[5]C[5]N[5]O[5])(CH3)3	O[5](C[5]C[5]N[5]C)(C[5]C[5]O)	C[5](C[5]C[5]2H)(N[5]C[5])(O[5]C[5])(CC3){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	C(C[5]C[5]N[5]O[5])(CH3)3	O[5](C[5]C[5]N[5]C)(C[5]C[5]O){1|C<3>,1|H<1>,2|C<4>}	106.5580	0.000	1	106.5580	0.000	1	106.5580	0.000	1	106.5580	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-3:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[6a]O)(CF3)	C(C[5]C[5]O[5]C)(F)3	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[6a]O)(CF3){1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5]O[5]C)(F)3	O[5](C[5]C[5]CC)(C[5]C[5]O){1|C<3>,3|H<1>}	105.6330	0.000	1	105.6330	0.000	1	105.6330	0.000	1	105.6330	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:4:	4:4:1:1:	3:4:	C[5]-4:O[5]-2:C[5]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[5]N[5]2)(CCHH)	C(C[5]C[5]2O[5])(CH3)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[5]N[5]2)(CCHH){2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5]2O[5])(CH3)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C){2|C<3>,2|N<3>,3|H<1>}	106.8310	0.000	1	106.8310	0.000	1	106.8310	0.000	1	106.8310	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:3:4:	4:4:1:1:	4:2:	C[5]-4:O[5]-2:C-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-2:	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CC[5]O)(CCHH)	C(C[5]C[5]O[5]C)(CCHH)(H)2	O[5](C[5]C[5]CC)(N[5]C[5])	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CC[5]O)(CCHH){3|C<3>}	C(C[5]C[5]O[5]C)(CCHH)(H)2	O[5](C[5]C[5]CC)(N[5]C[5]){1|H<1>,2|C<3>}	108.6995	1.158	2	108.6995	1.340	2	108.6995	1.340	2	108.6995	1.340	2	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	3:4:1:1:	4:2:	C[5]-4:O[5]-2:C-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-2:	C[5](C[5]C[5]HH)(O[5]N[5])(CN[5]HH)(H)	C(N[5]C[5,6a]C[5])(C[5]C[5]O[5]H)(H)2	O[5](C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]HH)(O[5]N[5])(CN[5]HH)(H){1|C<3>}	C(N[5]C[5,6a]C[5])(C[5]C[5]O[5]H)(H)2	O[5](C[5]C[5]CH)(N[5]C[5]){1|C<3>,2|H<1>}	108.9410	0.000	1	108.9410	0.000	1	108.9410	0.000	1	109.2525	0.194	2	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	3:4:1:1:	4:2:	C[5]-4:O[5]-2:C-4:H-1:	N[6]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-2:	C[5](C[5]C[5]HH)(O[5]N[5])(CN[6]HH)(H)	C(N[6]C[6,6a]C[6])(C[5]C[5]O[5]H)(H)2	O[5](C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]HH)(O[5]N[5])(CN[6]HH)(H){1|C<3>}	C(N[6]C[6,6a]C[6])(C[5]C[5]O[5]H)(H)2	O[5](C[5]C[5]CH)(N[5]C[5]){1|C<3>,2|H<1>}	109.5640	0.000	1	109.5640	0.000	1	109.5640	0.000	1	109.2525	0.194	2	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	3:4:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]O[5]HH)(O[5]C[5])(CN[5]HH)(H)	C(N[5]C[5,6a]C[5])(C[5]C[5]O[5]H)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]O)	C[5](C[5]O[5]HH)(O[5]C[5])(CN[5]HH)(H){1|O<1>}	C(N[5]C[5,6a]C[5])(C[5]C[5]O[5]H)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]O){2|H<1>}	110.5860	0.000	1	110.5860	0.000	1	110.5860	0.000	1	110.5860	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	3:4:	C[3x5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[3x5,6]C[5,5,6,6]C[5,5,6]O[5,6])(O[5]C[5])(CH3)(H)	C(C[5]C[3x5,6]O[5]H)(H)3	O[5](C[5]C[5,5,6,6]O)(C[5]C[3x5,6]CH)	C[5](C[3x5,6]C[5,5,6,6]C[5,5,6]O[5,6])(O[5]C[5])(CH3)(H){1|O<1>,2|O<2>,4|C<4>}	C(C[5]C[3x5,6]O[5]H)(H)3	O[5](C[5]C[5,5,6,6]O)(C[5]C[3x5,6]CH){1|O<2>,3|C<4>}	107.1425	0.532	4	107.1425	0.283	4	107.1425	0.283	4	108.6057	1.186	32	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	3:4:	C[3x5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[3x5]C[3,3x5]C[5,6a]2)(O[5]C[5])(CH3)(H)	C(C[5]C[3x5]O[5]H)(H)3	O[5](C[5]C[3,3x5]O)(C[5]C[3x5]CH)	C[5](C[3x5]C[3,3x5]C[5,6a]2)(O[5]C[5])(CH3)(H){1|O<1>,2|C<4>,4|C<3>}	C(C[5]C[3x5]O[5]H)(H)3	O[5](C[5]C[3,3x5]O)(C[5]C[3x5]CH){2|C<3>,2|C<4>}	107.8050	0.000	1	107.8050	0.000	1	107.8050	0.000	1	108.6057	1.186	32	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	3:4:	C[5,5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[5]O[6])(O[5]C[5])(CH3)(H)	C(C[5]C[5,5,6]O[5]H)(H)3	O[5](C[5]C[5,5,6,6]O)(C[5]C[5,5,6]CH)	C[5](C[5,5,6]C[5,5,6,6]C[5]O[6])(O[5]C[5])(CH3)(H){1|C<3>,2|O<1>,3|C<4>}	C(C[5]C[5,5,6]O[5]H)(H)3	O[5](C[5]C[5,5,6,6]O)(C[5]C[5,5,6]CH){1|C<4>,1|O<2>,2|C<3>}	110.0230	0.000	1	110.0230	0.000	1	110.3220	0.179	2	108.6057	1.186	32	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	3:4:	C[5,5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[6]O[5])(O[5]C[5])(CH3)(H)	C(C[5]C[5,5,6]O[5]H)(H)3	O[5](C[5]C[5,5,6,6]O)(C[5]C[5,5,6]CH)	C[5](C[5,5,6]C[5,5,6,6]C[6]O[5])(O[5]C[5])(CH3)(H){1|C<3>,1|O<2>,2|C<4>,2|O<1>}	C(C[5]C[5,5,6]O[5]H)(H)3	O[5](C[5]C[5,5,6,6]O)(C[5]C[5,5,6]CH){1|C<4>,1|O<2>,2|C<3>}	110.6210	0.000	1	110.6210	0.000	1	110.3220	0.179	2	108.6057	1.186	32	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	3:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]O)(O[5]C[5])(CH3)(H)	C(C[5]C[5,5]O[5]H)(H)3	O[5](C[5]C[5,5,6]O)(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5,6]C[5]O)(O[5]C[5])(CH3)(H){1|C<3>,2|C<4>,2|O<1>}	C(C[5]C[5,5]O[5]H)(H)3	O[5](C[5]C[5,5,6]O)(C[5]C[5,5]CH){1|C<4>,1|O<2>,2|C<3>}	109.5625	0.742	4	109.5625	0.550	4	108.8274	1.346	8	108.6057	1.186	32	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	3:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CH3)(H)	C(C[5]C[5,5]O[5]H)(H)3	O[5](C[5]C[6a]N[5])(C[5]C[5,5]CH)	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CH3)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|C<4>}	C(C[5]C[5,5]O[5]H)(H)3	O[5](C[5]C[6a]N[5])(C[5]C[5,5]CH){1|C<4>,3|C<3>}	107.7240	0.331	2	108.0923	1.150	4	108.8274	1.346	8	108.6057	1.186	32	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	3:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CH3)(H)	C(C[5]C[5,5]O[5]H)(H)3	O[5](C[5]C[6a]N[5])(C[5]C[5,5]CH)	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CH3)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,3|C<4>}	C(C[5]C[5,5]O[5]H)(H)3	O[5](C[5]C[6a]N[5])(C[5]C[5,5]CH){2|C<3>,2|C<4>}	109.6430	0.000	1	108.0923	1.150	4	108.8274	1.346	8	108.6057	1.186	32	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	3:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CH3)(H)	C(C[5]C[5,5]O[5]H)(H)3	O[5](C[5]C[6a]N[5])(C[5]C[5,5]CH)	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CH3)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(C[5]C[5,5]O[5]H)(H)3	O[5](C[5]C[6a]N[5])(C[5]C[5,5]CH){1|C<4>,3|C<3>}	107.2780	0.000	1	108.0923	1.150	4	108.8274	1.346	8	108.6057	1.186	32	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	3:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5])(CH3)(H)	C(C[5]C[5,6]O[5]H)(H)3	O[5](C[5]C[5,6,6]O)(C[5]C[5,6]CH)	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,1|O<2>,2|O<1>}	C(C[5]C[5,6]O[5]H)(H)3	O[5](C[5]C[5,6,6]O)(C[5]C[5,6]CH){1|C<4>,1|O<2>,2|C<3>}	109.1450	0.000	1	109.1450	0.000	1	109.1450	0.000	1	108.6057	1.186	32	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	B[5]-3:C[5]-4:	C[5](C[5]O[5]CH)(O[5]B[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](B[5]C[5a]O[5])(C[5]C[5]CH)	C[5](C[5]O[5]CH)(O[5]B[5])(CH3)(H){1|C<3>}	C(C[5]C[5]O[5]H)(H)3	O[5](B[5]C[5a]O[5])(C[5]C[5]CH){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	109.4830	0.366	2	109.4830	0.134	2	109.4830	0.134	2	108.6057	1.186	32	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,5a]-3:C[5]-4:	C[5](C[5]N[5,5a]HH)(O[5]C[5,5a])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]CH)	C[5](C[5]N[5,5a]HH)(O[5]C[5,5a])(CH3)(H){1|C<3>,1|N<2>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,5a]N[5,5a]N[5a])(C[5]C[5]CH){2|C<3>,2|H<1>}	108.5320	0.000	1	108.5320	0.000	1	108.5320	0.000	1	108.6057	1.186	32	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]CC)(O[5]C[5,6])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]CH)	C[5](C[5]C[5,6]CC)(O[5]C[5,6])(CH3)(H){2|C<3>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]CH){2|C<4>,3|C<3>}	108.1365	0.054	2	108.1365	0.003	2	108.8953	1.729	3	108.6057	1.186	32	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(CH3)(H){1|C<3>,1|C<4>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	110.4130	0.000	1	110.4130	0.000	1	108.8953	1.729	3	108.6057	1.186	32	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(CH3)(H){2|C<3>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|H<1>,2|C<3>,2|C<4>}	107.7040	0.112	2	107.7040	0.012	2	108.4414	0.543	10	108.6057	1.186	32	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CH3)(H){2|C<3>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|C<4>,2|C<3>,2|H<1>}	108.6535	0.924	2	108.6535	0.854	2	108.4414	0.543	10	108.6057	1.186	32	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CH3)(H){2|C<3>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|N<3>,2|C<3>,2|H<1>}	109.6980	0.000	1	108.6165	0.532	6	108.4414	0.543	10	108.6057	1.186	32	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CH3)(H){2|C<3>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|O<2>,2|C<3>,2|H<1>}	108.1778	0.299	4	108.6165	0.532	6	108.4414	0.543	10	108.6057	1.186	32	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CH3)(H){2|C<3>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){2|C<3>,3|H<1>}	109.2900	0.000	1	108.6165	0.532	6	108.4414	0.543	10	108.6057	1.186	32	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:2:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:	C[5](C[5]C[5]HN)(O[5]N[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]HN)(O[5]N[5])(CH3)(H){1|O<1>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(N[5]C[5]){1|H<1>,1|N<4>,1|O<1>}	108.3910	0.000	1	108.3910	0.000	1	108.3910	0.000	1	108.3910	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:3:	C[3,5]-4:O[5]-2:C-4:H-1:	C[5]-4:Cl-1:Cl-1:Cl-1:	C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(CCl3)(H)	C(C[5]C[3,5]O[5]H)(Cl)3	O[5](C[5]C[3,5]CH)(C[5]C[3,5]O)	C[5](C[3,5]C[3,5]C[3]H)(O[5]C[5])(CCl3)(H){1|C<3>,1|O<1>,2|C<4>}	C(C[5]C[3,5]O[5]H)(Cl)3	O[5](C[5]C[3,5]CH)(C[5]C[3,5]O){1|C<3>,1|C<4>,1|H<1>}	107.9580	0.000	1	107.9580	0.000	1	107.9580	0.000	1	108.2880	1.722	60	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:3:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5,6]H)(O[5]C[5])(CH3)(H)	C(C[5]C[5,5]O[5]H)(H)3	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]C[5,6]H)(O[5]C[5])(CH3)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5,5]O[5]H)(H)3	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O){1|C<3>,1|C<4>,2|H<1>}	108.8950	0.000	1	108.8950	0.000	1	108.4386	0.818	5	108.2880	1.722	60	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:3:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CH3)(H)	C(C[5]C[5,5]O[5]H)(H)3	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CH3)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	C(C[5]C[5,5]O[5]H)(H)3	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O){1|C<4>,1|H<1>,1|N<2>}	107.5710	0.225	2	107.5710	0.051	2	108.4386	0.818	5	108.2880	1.722	60	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:3:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CH3)(H)	C(C[5]C[5,5]O[5]H)(H)3	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5,5]O[5]H)(H)3	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O){1|C<4>,1|O<2>,2|H<1>}	109.6650	0.000	1	109.6650	0.000	1	108.4386	0.818	5	108.2880	1.722	60	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:3:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CH3)(H)	C(C[5]C[5,5]O[5]H)(H)3	O[5](C[5]C[5,5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CH3)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C(C[5]C[5,5]O[5]H)(H)3	O[5](C[5]C[5,5]CH)(C[5]N[5]O){1|H<1>,2|C<4>}	108.4910	0.000	1	108.4910	0.000	1	108.4386	0.818	5	108.2880	1.722	60	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:3:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:I-1:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CHHI)(H)	C(C[5]C[5,5]O[5]H)(H)2(I)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CHHI)(H){1|O<1>,2|C<3>,2|C<4>}	C(C[5]C[5,5]O[5]H)(H)2(I)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O){1|C<4>,1|H<1>,2|C<3>}	106.8920	0.146	2	106.5313	0.401	3	106.5313	0.401	3	108.2880	1.722	60	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:3:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:I-1:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CHHI)(H)	C(C[5]C[5,5]O[5]H)(H)2(I)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CHHI)(H){1|O<1>,2|C<4>,3|H<1>}	C(C[5]C[5,5]O[5]H)(H)2(I)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O){2|C<4>,2|H<1>}	105.8100	0.000	1	106.5313	0.401	3	106.5313	0.401	3	108.2880	1.722	60	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:3:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(CH3)(H)	C(C[5]C[5,6]O[5]H)(H)3	O[5](C[5]C[5,6]CH)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(CH3)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6]O[5]H)(H)3	O[5](C[5]C[5,6]CH)(C[5]C[5,6]O){1|C<3>,1|C<4>,2|H<1>}	109.1190	0.181	2	109.1190	0.033	2	107.0155	10.390	4	108.2880	1.722	60	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:3:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(H)	C(C[5]C[5,6]O[5]H)(H)3	O[5](C[5]C[5,6]CH)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5,6]O[5]H)(H)3	O[5](C[5]C[5,6]CH)(C[5]C[5,6]O){1|C<3>,1|C<4>,2|H<1>}	102.3200	0.000	1	104.9120	13.437	2	107.0155	10.390	4	108.2880	1.722	60	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:3:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(H)	C(C[5]C[5,6]O[5]H)(H)3	O[5](C[5]C[5,6]CH)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6]O[5]H)(H)3	O[5](C[5]C[5,6]CH)(C[5]C[5,6]O){1|C<3>,1|C<4>,1|H<1>}	107.5040	0.000	1	104.9120	13.437	2	107.0155	10.390	4	108.2880	1.722	60	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:3:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:I-1:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CHHI)(H)	C(C[5]C[5,6]O[5]H)(H)2(I)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CHHI)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[5]C[5,6]O[5]H)(H)2(I)	O[5](C[5]C[5,6]CH)(C[5]C[5,6]O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	109.2100	0.000	1	109.2100	0.000	1	109.2100	0.000	1	108.2880	1.722	60	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:F-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(F)	C(C[5]C[5]O[5]F)(H)3	O[5](C[5]C[5]CF)(C[5]C[5]O)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(F){1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5]O[5]F)(H)3	O[5](C[5]C[5]CF)(C[5]C[5]O){1|C<3>,3|H<1>}	109.8720	0.000	1	109.8720	0.000	1	109.8720	0.000	1	108.2880	1.722	60	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:Br-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CBrHH)(H)	C(C[5]C[5]O[5]H)(Br)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CBrHH)(H){1|C<3>,1|O<1>,1|O<2>}	C(C[5]C[5]O[5]H)(Br)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	109.3390	0.000	1	109.3390	0.000	1	107.8120	2.280	3	108.2880	1.722	60	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:Br-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(O[5]C[5])(CBrHH)(H)	C(C[5]C[5]O[5]H)(Br)(H)2	O[5](C[5]C[5]CH)(C[5]N[5]C)	C[5](C[5]N[5]HH)(O[5]C[5])(CBrHH)(H){1|C<3>,1|S<4>}	C(C[5]C[5]O[5]H)(Br)(H)2	O[5](C[5]C[5]CH)(C[5]N[5]C){1|S<4>,2|H<1>}	107.0485	1.030	2	107.0485	1.061	2	107.8120	2.280	3	108.2880	1.722	60	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:Cl-1:Cl-1:Cl-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]O)(O[5]C[5])(CCl3)(H)	C(C[5]C[5]O[5]H)(Cl)3	O[5](C[5]C[5]CH)(C[5]C[5]C)	C[5](C[5]C[6a]C[5]O)(O[5]C[5])(CCl3)(H){4|C<3>}	C(C[5]C[5]O[5]H)(Cl)3	O[5](C[5]C[5]CH)(C[5]C[5]C){1|O<2>,2|C<3>}	107.4850	0.000	1	107.4850	0.000	1	107.4850	0.000	1	108.2880	1.722	60	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]C[5]O){2|C<4>,2|H<1>}	109.9600	0.000	1	109.9600	0.000	1	108.5989	0.759	40	108.2880	1.722	60	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]C[5]2)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<3>,2|H<1>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]C[5]2){1|C<3>,1|C<4>,4|H<1>}	106.6810	0.759	2	106.6810	0.577	2	108.5989	0.759	40	108.2880	1.722	60	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]C[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|Br<1>,1|C<3>,1|H<1>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]C[5]C){1|Br<1>,3|H<1>}	108.0105	0.185	2	108.0105	0.034	2	108.5989	0.759	40	108.2880	1.722	60	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,3|H<1>}	109.3430	0.000	1	108.3730	0.435	4	108.5989	0.759	40	108.2880	1.722	60	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<4>,1|O<1>,1|O<2>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|O<2>,2|H<1>}	107.8970	0.000	1	108.3730	0.435	4	108.5989	0.759	40	108.2880	1.722	60	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<4>,1|O<1>,1|S<2>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|S<2>,2|H<1>}	108.2120	0.000	1	108.3730	0.435	4	108.5989	0.759	40	108.2880	1.722	60	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|H<1>,1|O<1>,1|O<2>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]C[5]O){1|O<2>,3|H<1>}	108.0400	0.000	1	108.3730	0.435	4	108.5989	0.759	40	108.2880	1.722	60	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]C[5]Re)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|Re<6>,2|H<1>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]C[5]Re){4|H<1>}	109.3760	0.000	1	109.3760	0.000	1	108.5989	0.759	40	108.2880	1.722	60	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]C[5]Ru)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|Ru<9>,2|H<1>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]C[5]Ru){4|H<1>}	110.0320	0.000	1	110.0320	0.000	1	108.5989	0.759	40	108.2880	1.722	60	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HN)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HN)(O[5]C[5])(CH3)(H){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]C[5]O){1|N<3>,3|H<1>}	109.9390	0.000	1	109.9390	0.000	1	108.5989	0.759	40	108.2880	1.722	60	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|O<1>,2|H<1>}	107.1550	0.000	1	108.0757	0.928	3	108.5989	0.759	40	108.2880	1.722	60	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|C<4>,1|O<1>,1|S<3>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|H<1>,1|O<2>,1|S<3>}	109.0770	0.000	1	108.0757	0.928	3	108.5989	0.759	40	108.2880	1.722	60	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|H<1>,1|O<1>,1|S<2>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]C[5]O){1|O<2>,1|S<2>,2|H<1>}	107.9950	0.000	1	108.0757	0.928	3	108.5989	0.759	40	108.2880	1.722	60	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(H){1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,3|H<1>}	108.2799	0.680	8	108.2799	0.463	8	108.5989	0.759	40	108.2880	1.722	60	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<3>,2|H<1>}	108.7170	0.068	2	108.7170	0.005	2	108.5989	0.759	40	108.2880	1.722	60	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]N[5]C)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|C<4>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]N[5]C){1|C<3>,1|H<1>}	109.1426	0.437	8	109.1426	0.191	8	108.5989	0.759	40	108.2880	1.722	60	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]N[5]H)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|Ru<6>,1|H<1>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]N[5]H){1|Ru<6>,1|C<3>,1|H<1>}	107.9645	0.353	2	107.9645	0.125	2	108.5989	0.759	40	108.2880	1.722	60	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>}	108.1790	0.000	1	108.6900	0.234	3	108.5989	0.759	40	108.2880	1.722	60	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]N[5]O){1|H<1>,2|C<3>}	108.7510	0.000	1	108.6900	0.234	3	108.5989	0.759	40	108.2880	1.722	60	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<3>,2|H<1>}	109.1400	0.000	1	108.6900	0.234	3	108.5989	0.759	40	108.2880	1.722	60	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]O[5]O)	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H){1|O<1>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]O[5]O){1|C<3>,1|H<1>}	109.1930	0.000	1	109.3680	0.061	2	108.5989	0.759	40	108.2880	1.722	60	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]O[5]O)	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H){1|O<1>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]O[5]O){1|C<4>,1|H<1>}	109.5430	0.000	1	109.3680	0.061	2	108.5989	0.759	40	108.2880	1.722	60	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:I-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CHHI)(H)	C(C[5]C[5]O[5]H)(H)2(I)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CHHI)(H){1|C<3>,1|O<1>,1|O<2>}	C(C[5]C[5]O[5]H)(H)2(I)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	105.5130	0.000	1	105.5130	0.000	1	105.5130	0.000	1	108.2880	1.722	60	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-2:H-1:H-1:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHH)(H)	C(C[5]C[5]O[5]H)(CN)(H)2	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHH)(H){1|C<3>,1|C<4>}	C(C[5]C[5]O[5]H)(CN)(H)2	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH){1|C<3>,1|C<4>,4|H<1>}	107.8710	0.000	1	107.8710	0.000	1	107.8710	0.000	1	108.2220	0.738	3	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CHHO)(H){2|C<3>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|O<2>,2|C<3>,2|H<1>}	107.5940	0.000	1	107.5940	0.000	1	107.5940	0.000	1	108.2220	0.738	3	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]C[6a]N[5])(C[5]C[5]CH)	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H){1|C<3>}	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]C[6a]N[5])(C[5]C[5]CH){2|C<3>,2|H<1>}	109.2010	0.000	1	109.2010	0.000	1	109.2010	0.000	1	108.2220	0.738	3	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:2:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-2:	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(CHHO)(H)	C(C[5]C[5,6]O[5]H)(OC)(H)2	O[5](C[5]C[5,6]CH)(N[5]C[5,6])	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5,6]O[5]H)(OC)(H)2	O[5](C[5]C[5,6]CH)(N[5]C[5,6]){1|C<3>,1|C<4>,1|H<1>}	107.9700	0.000	1	107.9700	0.000	1	107.9700	0.000	1	109.1858	1.772	6	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:2:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-2:H-1:H-1:	C[5]-4:N[5]-2:	C[5](C[5]C[5]CC)(O[5]N[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CN)(H)2	O[5](C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]CC)(O[5]N[5])(CCHH)(H){1|C<3>}	C(C[5]C[5]O[5]H)(CN)(H)2	O[5](C[5]C[5]CH)(N[5]C[5]){1|C<3>,2|C<4>}	109.5310	0.000	1	109.5310	0.000	1	108.9050	0.784	2	109.1858	1.772	6	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:2:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-2:H-1:H-1:	C[5]-4:N[5]-2:	C[5](C[5]C[5]HH)(O[5]N[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CN)(H)2	O[5](C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]HH)(O[5]N[5])(CCHH)(H){1|C<3>}	C(C[5]C[5]O[5]H)(CN)(H)2	O[5](C[5]C[5]CH)(N[5]C[5]){1|C<3>,2|H<1>}	108.2790	0.000	1	108.2790	0.000	1	108.9050	0.784	2	109.1858	1.772	6	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:2:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-2:	C[5](C[5]C[5]CH)(O[5]N[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]CH)(O[5]N[5])(CHHO)(H){1|C<4>}	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]C[5]CH)(N[5]C[5]){1|C<3>,1|C<4>,1|H<1>}	108.9045	0.897	2	108.9045	0.805	2	109.7783	2.693	3	109.1858	1.772	6	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:2:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-2:	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OS)(H)2	O[5](C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(H){1|C<3>}	C(C[5]C[5]O[5]H)(OS)(H)2	O[5](C[5]C[5]CH)(N[5]C[5]){1|C<3>,2|H<1>}	111.5260	0.000	1	111.5260	0.000	1	109.7783	2.693	3	109.1858	1.772	6	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:3:	C[4,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[4,5]C[4,5]C[4]C)(O[5]C[5])(CHHO)(H)	C(C[5]C[4,5]O[5]H)(OC)(H)2	O[5](C[5]C[4,5]CH)(C[5]C[4,5]O)	C[5](C[4,5]C[4,5]C[4]C)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<1>,2|H<1>}	C(C[5]C[4,5]O[5]H)(OC)(H)2	O[5](C[5]C[4,5]CH)(C[5]C[4,5]O){1|C<4>,1|H<1>,2|C<3>}	107.3010	0.000	1	107.3010	0.000	1	109.2595	1.779	4	108.8158	1.153	44	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:3:	C[4,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[4,5]O[5]H)(OC)(H)2	O[5](C[5]C[4,5]CH)(C[5]C[4,5]O)	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<1>,2|H<1>}	C(C[5]C[4,5]O[5]H)(OC)(H)2	O[5](C[5]C[4,5]CH)(C[5]C[4,5]O){2|C<3>,2|H<1>}	110.1640	0.000	1	109.9123	0.111	3	109.2595	1.779	4	108.8158	1.153	44	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:3:	C[4,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[4,5]O[5]H)(OC)(H)2	O[5](C[5]C[4,5]CH)(C[5]C[4,5]O)	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<1>,3|H<1>}	C(C[5]C[4,5]O[5]H)(OC)(H)2	O[5](C[5]C[4,5]CH)(C[5]C[4,5]O){2|C<4>,2|H<1>}	110.0390	0.000	1	109.9123	0.111	3	109.2595	1.779	4	108.8158	1.153	44	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:3:	C[4,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[4,5]O[5]H)(OC)(H)2	O[5](C[5]C[4,5]CH)(C[5]C[4,5]O)	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H){1|O<1>,2|C<4>,2|H<1>}	C(C[5]C[4,5]O[5]H)(OC)(H)2	O[5](C[5]C[4,5]CH)(C[5]C[4,5]O){2|C<4>,2|H<1>}	109.5340	0.000	1	109.9123	0.111	3	109.2595	1.779	4	108.8158	1.153	44	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:3:	C[5,5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(CHHO)(H)	C(C[5]C[5,5,6]O[5]H)(OH)(H)2	O[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]O)	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(CHHO)(H){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C(C[5]C[5,5,6]O[5]H)(OH)(H)2	O[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]O){2|C<4>,2|H<1>}	109.2290	0.000	1	109.2290	0.000	1	109.2290	0.000	1	108.8158	1.153	44	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:3:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[5,5]O[5]H)(OSi)(H)2	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CHHO)(H){1|O<1>,2|C<4>,3|H<1>}	C(C[5]C[5,5]O[5]H)(OSi)(H)2	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O){2|C<4>,2|H<1>}	109.0450	0.000	1	109.0450	0.000	1	108.7385	0.795	8	108.8158	1.153	44	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:3:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]N[5]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[5,5]O[5]H)(OH)(H)2	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]N[5]H)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<1>,1|S<4>,2|C<4>}	C(C[5]C[5,5]O[5]H)(OH)(H)2	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O){1|C<4>,1|N<3>,2|H<1>}	109.9420	0.000	1	109.9420	0.000	1	108.7385	0.795	8	108.8158	1.153	44	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:3:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[5,5]O[5]H)(OC)(H)2	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[5]C[5,5]O[5]H)(OC)(H)2	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O){2|H<1>,2|O<2>}	108.6770	0.000	1	108.6770	0.000	1	108.7385	0.795	8	108.8158	1.153	44	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:3:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[5,5]O[5]H)(OH)(H)2	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(C[5]C[5,5]O[5]H)(OH)(H)2	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O){1|C<4>,1|O<2>,2|H<1>}	108.6590	0.000	1	107.9235	1.082	2	108.7385	0.795	8	108.8158	1.153	44	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:3:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[5,5]O[5]H)(OH)(H)2	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|O<1>,1|O<2>,2|C<4>}	C(C[5]C[5,5]O[5]H)(OH)(H)2	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O){1|C<4>,1|H<1>,2|O<2>}	107.1880	0.000	1	107.9235	1.082	2	108.7385	0.795	8	108.8158	1.153	44	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:3:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[5,5]O[5]H)(OSi)(H)2	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|O<1>,1|O<2>,2|C<4>}	C(C[5]C[5,5]O[5]H)(OSi)(H)2	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O){1|C<4>,1|H<1>,2|O<2>}	107.9800	0.000	1	107.9800	0.000	1	108.7385	0.795	8	108.8158	1.153	44	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:3:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CHHO)(H)	C(C[5]C[5,5]O[5]H)(OH)(H)2	O[5](C[5]C[5,5]CH)(C[5]C[5]O)	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CHHO)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C(C[5]C[5,5]O[5]H)(OH)(H)2	O[5](C[5]C[5,5]CH)(C[5]C[5]O){1|C<4>,1|N<3>,2|H<1>}	108.6660	0.000	1	108.6660	0.000	1	108.7385	0.795	8	108.8158	1.153	44	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:3:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5]N[5]2)(O[5]C[5])(CHHO)(H)	C(C[5]C[5,5]O[5]H)(OH)(H)2	O[5](C[5]C[5,5]CH)(C[5]N[5]S)	C[5](C[5,5]C[5]N[5]2)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<2>,1|S<1>,4|H<1>}	C(C[5]C[5,5]O[5]H)(OH)(H)2	O[5](C[5]C[5,5]CH)(C[5]N[5]S){1|C<4>,1|H<1>,1|N<3>}	109.7510	0.000	1	109.7510	0.000	1	108.7385	0.795	8	108.8158	1.153	44	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:3:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[5,6]O[5]H)(OH)(H)2	O[5](C[5]C[5,6]CH)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CHHO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C(C[5]C[5,6]O[5]H)(OH)(H)2	O[5](C[5]C[5,6]CH)(C[5]C[5,6]O){1|H<1>,1|N<3>,2|C<4>}	108.7150	0.000	1	108.7150	0.000	1	108.3050	0.336	2	108.8158	1.153	44	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:3:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[5,6]O[5]H)(OSi)(H)2	O[5](C[5]C[5,6]CH)(C[5]N[5,6]O)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C(C[5]C[5,6]O[5]H)(OSi)(H)2	O[5](C[5]C[5,6]CH)(C[5]N[5,6]O){1|C<3>,1|C<4>,1|H<1>}	107.8950	0.000	1	107.8950	0.000	1	108.3050	0.336	2	108.8158	1.153	44	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H){1|H<1>,1|N<4>,1|O<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|N<4>,2|H<1>}	108.2530	0.000	1	108.2530	0.000	1	108.7001	1.272	27	108.8158	1.153	44	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CO)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<1>,1|O<2>}	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|H<1>,2|O<2>}	108.8790	0.000	1	108.8790	0.000	1	108.7001	1.272	27	108.8158	1.153	44	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]N)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|N<2>,2|C<4>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]N){2|C<4>,2|H<1>}	106.3610	0.000	1	106.3610	0.000	1	108.7001	1.272	27	108.8158	1.153	44	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,3|H<1>}	108.6800	0.000	1	108.6800	0.000	1	108.7001	1.272	27	108.8158	1.153	44	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|F<1>,1|O<1>}	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|F<1>,1|H<1>,1|O<2>}	109.7990	0.000	1	109.8003	0.038	3	108.7001	1.272	27	108.8158	1.153	44	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<1>,1|O<2>}	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O){2|H<1>,2|O<2>}	109.6070	0.000	1	109.8003	0.038	3	108.7001	1.272	27	108.8158	1.153	44	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|O<1>,2|C<4>}	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O){1|H<1>,1|O<2>,2|C<4>}	109.9950	0.000	1	109.8003	0.038	3	108.7001	1.272	27	108.8158	1.153	44	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<2>,1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<2>,1|C<4>,1|H<1>,1|O<2>}	108.2680	0.000	1	108.4050	0.743	6	108.7001	1.272	27	108.8158	1.153	44	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	107.6680	0.000	1	108.4050	0.743	6	108.7001	1.272	27	108.8158	1.153	44	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|F<1>,1|O<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|F<1>,1|H<1>,1|O<2>}	108.1600	0.000	1	108.4050	0.743	6	108.7001	1.272	27	108.8158	1.153	44	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<1>,1|O<2>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|H<1>,2|O<2>}	108.7190	1.629	2	108.4050	0.743	6	108.7001	1.272	27	108.8158	1.153	44	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|H<1>,1|N<3>,1|O<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O){1|N<3>,1|O<2>,2|H<1>}	108.8960	0.000	1	108.4050	0.743	6	108.7001	1.272	27	108.8158	1.153	44	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OSi)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|Cl<1>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(OSi)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O){1|Cl<1>,1|O<2>,2|H<1>}	110.5050	0.000	1	110.5050	0.000	1	108.7001	1.272	27	108.8158	1.153	44	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OS)(H)2	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]CH)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(OS)(H)2	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<4>,2|H<1>}	109.2780	0.000	1	109.2780	0.000	1	108.7001	1.272	27	108.8158	1.153	44	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]C[5]CH)(C[5]N[5]N)	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<2>}	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]C[5]CH)(C[5]N[5]N){1|C<4>,2|H<1>}	106.8810	0.000	1	106.8810	0.000	1	108.7001	1.272	27	108.8158	1.153	44	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<3>,2|H<1>}	109.2580	0.000	1	109.2580	0.000	1	108.7001	1.272	27	108.8158	1.153	44	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC[5a])(H)2	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]H)(OC[5a])(H)2	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<3>,2|H<1>}	109.2880	0.843	3	109.2880	0.711	3	108.7001	1.272	27	108.8158	1.153	44	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC[6a])(H)2	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(OC[6a])(H)2	O[5](C[5]C[5]CH)(C[5]N[5]O){3|H<1>}	108.4038	1.501	5	108.4038	2.253	5	108.7001	1.272	27	108.8158	1.153	44	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<3>,2|H<1>}	108.1870	0.000	1	108.1870	0.000	1	108.7001	1.272	27	108.8158	1.153	44	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]O[5]HH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]O)	C[5](C[5]O[5]HH)(O[5]C[5])(CHHO)(H){1|O<1>}	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]O){2|H<1>}	108.9070	0.000	1	108.9070	0.000	1	108.7001	1.272	27	108.8158	1.153	44	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:S-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(CHHS)(H)	C(C[5]C[5]O[5]H)(SC)(H)2	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]CH)(O[5]C[5])(CHHS)(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(SC)(H)2	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<4>,2|H<1>}	109.9030	0.000	1	109.9030	0.000	1	110.1040	0.081	2	108.8158	1.153	44	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:S-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]O[5]HH)(O[5]C[5])(CHHS)(H)	C(C[5]C[5]O[5]H)(SC)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]O)	C[5](C[5]O[5]HH)(O[5]C[5])(CHHS)(H){1|O<1>}	C(C[5]C[5]O[5]H)(SC)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]O){2|H<1>}	110.3050	0.000	1	110.3050	0.000	1	110.1040	0.081	2	108.8158	1.153	44	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	3:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5,5]C[5,6a]N[5]O[5])(O[5]C[5,6a])(CC[6a]HH)(H)	C(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)	C[5](C[5,5]C[5,6a]N[5]O[5])(O[5]C[5,6a])(CC[6a]HH)(H){1|C<4>,1|O<2>,3|C<3>}	C(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	110.1530	0.000	1	110.1530	0.000	1	110.1530	0.000	1	109.1675	1.942	2	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCHH)(H)	C(C[5]C[5]O[5]H)(CC[6a]O)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCHH)(H){2|C<3>}	C(C[5]C[5]O[5]H)(CC[6a]O)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){2|C<3>,3|H<1>}	108.1820	0.000	1	108.1820	0.000	1	108.1820	0.000	1	109.1675	1.942	2	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:2:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-2:	C[5](C[5]C[5]CC)(O[5]N[5])(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(C[5]C[5]2)(H)2	O[5](C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]CC)(O[5]N[5])(CC[5]HH)(H){1|C<3>}	C(C[5]C[5]O[5]H)(C[5]C[5]2)(H)2	O[5](C[5]C[5]CH)(N[5]C[5]){1|C<3>,2|C<4>}	109.4730	0.000	1	109.4730	0.000	1	109.4730	0.000	1	109.4730	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:3:	C[3,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[3,5]O[5]H)(CCC)(H)2	O[5](C[5]C[3,5]CH)(C[5]C[3,5]O)	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<1>}	C(C[5]C[3,5]O[5]H)(CCC)(H)2	O[5](C[5]C[3,5]CH)(C[5]C[3,5]O){1|C<4>,1|H<1>,1|O<2>}	108.2570	0.000	1	108.2570	0.000	1	108.2570	0.000	1	109.1133	1.593	24	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:3:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CHHN)(H)	C(C[5]C[5,6]O[5]H)(NCH)(H)2	O[5](C[5]C[5,6]CH)(C[5]N[5,6]O)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CHHN)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C(C[5]C[5,6]O[5]H)(NCH)(H)2	O[5](C[5]C[5,6]CH)(C[5]N[5,6]O){1|C<3>,1|C<4>,1|H<1>}	108.9181	1.473	8	108.9181	2.169	8	108.9181	2.169	8	109.1133	1.593	24	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCC)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]H)(CCC)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>}	107.0190	0.000	1	109.0780	8.479	2	109.2763	4.357	3	109.1133	1.593	24	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCC)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CCC)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O){2|C<4>,2|H<1>}	111.1370	0.000	1	109.0780	8.479	2	109.2763	4.357	3	109.1133	1.593	24	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCH)(H)2	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]CH)(O[5]C[5])(CCHH)(H){1|O<1>,1|S<4>}	C(C[5]C[5]O[5]H)(CCH)(H)2	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|H<1>,1|S<4>}	109.6730	0.000	1	109.6730	0.000	1	109.2763	4.357	3	109.1133	1.593	24	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(O[5]C[5])(CHHN)(H)	C(C[5]C[5]O[5]H)(NCH)(H)2	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]HH)(O[5]C[5])(CHHN)(H){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]H)(NCH)(H)2	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<3>,2|H<1>}	109.0510	0.967	9	109.0510	0.934	9	109.0510	0.934	9	109.1133	1.593	24	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(O[5]C[5])(CN[5]HH)(H)	C(C[5]C[5]O[5]H)(N[5]C[5]2)(H)2	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]HH)(O[5]C[5])(CN[5]HH)(H){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]H)(N[5]C[5]2)(H)2	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<3>,2|H<1>}	110.5630	0.000	1	110.5630	0.000	1	110.5630	0.000	1	109.1133	1.593	24	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N[6]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(O[5]C[5])(CN[6]HH)(H)	C(C[5]C[5]O[5]H)(N[6]C[6]2)(H)2	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]HH)(O[5]C[5])(CN[6]HH)(H){1|N<2>,1|O<1>}	C(C[5]C[5]O[5]H)(N[6]C[6]2)(H)2	O[5](C[5]C[5]CH)(C[5]N[5]O){1|N<2>,2|H<1>}	109.6335	1.211	2	109.6335	1.467	2	109.6335	1.467	2	109.1133	1.593	24	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:2:2:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:O-2:O-2:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CCOO)(H)	C(C[5]C[5]O[5]H)(COO)(OH)2	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CCOO)(H){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]H)(COO)(OH)2	O[5](C[5]C[5]CH)(C[5]C[5]O){4|H<1>}	106.8220	0.000	1	106.8220	0.000	1	106.8220	0.000	1	106.8220	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:3:1:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:C-3:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CCCH)(H)	C(C[5]C[5]O[5]H)(CCO)2(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(CCCH)(H){4|C<3>}	C(C[5]C[5]O[5]H)(CCO)2(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){2|H<1>,3|C<3>}	110.7680	0.000	1	110.7680	0.000	1	110.7680	0.000	1	110.7680	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:4:1:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC[6a]CH)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCCH)(H)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC[6a]CH)(H){1|C<3>,1|C<4>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCCH)(H)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH){1|C<3>,1|C<4>,4|H<1>}	108.7960	0.000	1	108.7960	0.000	1	108.7960	0.000	1	108.7960	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:4:1:	4:3:	B[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:C-4:H-1:	C[5]-4:C[5]-3:	C[5](B[5]C[6a]2O[5])(O[5]C[5])(CCCH)(H)	C(C[5]B[5]O[5]H)(CN[6]H)(CH3)(H)	O[5](C[5]B[5]CH)(C[5]O[5]B)	C[5](B[5]C[6a]2O[5])(O[5]C[5])(CCCH)(H){1|B<4>,4|C<3>}	C(C[5]B[5]O[5]H)(CN[6]H)(CH3)(H)	O[5](C[5]B[5]CH)(C[5]O[5]B){2|C<3>}	108.8040	0.000	1	108.8040	0.000	1	108.8040	0.000	1	108.8040	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	3:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5,6]C[5,5,6]C[3,6]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	O[5](C[5]C[5,5,6]O)(C[5]C[5,6]CH)	C[5](C[5,6]C[5,5,6]C[3,6]H)(O[5]C[5])(CCHH)(H){1|O<1>,2|O<2>,3|C<4>}	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	O[5](C[5]C[5,5,6]O)(C[5]C[5,6]CH){1|H<1>,1|O<2>,2|C<4>}	107.4170	0.000	1	107.4170	0.000	1	106.9425	0.450	2	108.2733	2.032	21	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	3:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	O[5](C[5]C[5,5,6]O)(C[5]C[5,6]CH)	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|O<1>,2|O<2>,3|C<4>}	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	O[5](C[5]C[5,5,6]O)(C[5]C[5,6]CH){1|H<1>,1|O<2>,2|C<4>}	106.4680	0.000	1	106.4680	0.000	1	106.9425	0.450	2	108.2733	2.032	21	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[3]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5,5,6]CH)(O[5]C[5])(CC[3]HH)(H)	C(C[3]C[3]O[3]C)(C[5]C[5]O[5]H)(H)2	O[5](C[5]C[5,5,6]O)(C[5]C[5]CH)	C[5](C[5]C[5,5,6]CH)(O[5]C[5])(CC[3]HH)(H){1|O<1>,2|C<4>}	C(C[3]C[3]O[3]C)(C[5]C[5]O[5]H)(H)2	O[5](C[5]C[5,5,6]O)(C[5]C[5]CH){1|H<1>,3|C<4>}	106.9040	0.000	1	106.9040	0.000	1	106.9040	0.000	1	108.2733	2.032	21	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	B[5]-3:C[5]-4:	C[5](C[5]O[5]CH)(O[5]B[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CC[5]HH)(H)2	O[5](B[5]C[5]O[5])(C[5]C[5]CH)	C[5](C[5]O[5]CH)(O[5]B[5])(CCHH)(H){1|C<4>}	C(C[5]C[5]O[5]H)(CC[5]HH)(H)2	O[5](B[5]C[5]O[5])(C[5]C[5]CH){1|Fe<10>,1|H<1>,3|C<4>}	108.8770	1.177	8	108.8770	1.385	8	108.8770	1.385	8	108.2733	2.032	21	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C[6a]C)(O[5]C[5,6a])(CCHH)(H)	C(C[5]C[5]O[5]H)(CC[6a]HH)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]C[6a]C)(O[5]C[5,6a])(CCHH)(H){4|C<3>}	C(C[5]C[5]O[5]H)(CC[6a]HH)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|H<1>,4|C<3>}	108.9230	0.000	1	108.9230	0.000	1	108.9770	0.006	2	108.2733	2.032	21	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCFF)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCHH)(H){2|C<3>}	C(C[5]C[5]O[5]H)(CCFF)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){2|C<3>,3|H<1>}	109.0310	0.000	1	109.0310	0.000	1	108.9770	0.006	2	108.2733	2.032	21	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5,5,6]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCCH)(H)2	O[5](C[5]C[5,5,6]O)(C[5]C[5]CH)	C[5](C[5]C[5,5,6]CH)(O[5]C[5])(CCHH)(H){1|O<1>,2|C<4>}	C(C[5]C[5]O[5]H)(CCCH)(H)2	O[5](C[5]C[5,5,6]O)(C[5]C[5]CH){1|C<3>,1|H<1>,2|C<4>}	106.8860	0.000	1	107.3166	0.313	5	107.1272	0.465	6	108.2733	2.032	21	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5,5,6]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCCH)(H)2	O[5](C[5]C[5,5,6]O)(C[5]C[5]CH)	C[5](C[5]C[5,5,6]CH)(O[5]C[5])(CCHH)(H){1|O<1>,2|C<4>}	C(C[5]C[5]O[5]H)(CCCH)(H)2	O[5](C[5]C[5,5,6]O)(C[5]C[5]CH){1|H<1>,3|C<4>}	107.4243	0.583	4	107.3166	0.313	5	107.1272	0.465	6	108.2733	2.032	21	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5,5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	O[5](C[5]C[5,5]O)(C[5]C[5]CH)	C[5](C[5]C[5,5]CH)(O[5]C[5])(CCHH)(H){1|O<1>,2|C<4>}	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	O[5](C[5]C[5,5]O)(C[5]C[5]CH){1|H<1>,3|C<4>}	106.1800	0.000	1	106.1800	0.000	1	107.1272	0.465	6	108.2733	2.032	21	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	3:4:	P[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](P[5]C[5,6a]RhC)(O[5]C[5,6a])(CCHH)(H)	C(C[5]O[5]P[5]H)(CRhCH)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]CH)	C[5](P[5]C[5,6a]RhC)(O[5]C[5,6a])(CCHH)(H){2|C<3>}	C(C[5]O[5]P[5]H)(CRhCH)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]CH){1|Rh<5>,1|C<4>,1|H<1>,2|C<3>}	110.6085	0.223	2	110.6085	0.050	2	110.6085	0.050	2	108.2733	2.032	21	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:2:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-2:	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(CCHH)(H)	C(C[5]C[5,5]O[5]H)(CCHH)(H)2	O[5](C[5]C[5,5]CH)(N[5]C[5,5])	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[5,5]O[5]H)(CCHH)(H)2	O[5](C[5]C[5,5]CH)(N[5]C[5,5]){1|C<3>,1|C<4>,1|H<1>}	108.9420	0.000	1	108.9420	0.000	1	108.9420	0.000	1	108.6727	2.905	6	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:2:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-2:	C[5](C[5]C[5]CC)(O[5]N[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CC[5]HH)(H)2	O[5](C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]CC)(O[5]N[5])(CCHH)(H){1|C<3>}	C(C[5]C[5]O[5]H)(CC[5]HH)(H)2	O[5](C[5]C[5]CH)(N[5]C[5]){1|C<3>,2|C<4>}	110.0480	0.000	1	110.0480	0.000	1	109.2103	2.480	4	108.6727	2.905	6	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:2:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-2:	C[5](C[5]C[5]HH)(O[5]N[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCCH)(H)2	O[5](C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]HH)(O[5]N[5])(CCHH)(H){1|C<3>}	C(C[5]C[5]O[5]H)(CCCH)(H)2	O[5](C[5]C[5]CH)(N[5]C[5]){1|C<3>,2|H<1>}	107.8920	0.165	2	107.8920	0.027	2	109.2103	2.480	4	108.6727	2.905	6	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:2:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-2:	C[5](C[5]C[5]HH)(O[5]N[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHH)(H)2	O[5](C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]HH)(O[5]N[5])(CCHH)(H){1|C<3>}	C(C[5]C[5]O[5]H)(CCHH)(H)2	O[5](C[5]C[5]CH)(N[5]C[5]){1|C<3>,2|H<1>}	111.0090	0.000	1	111.0090	0.000	1	109.2103	2.480	4	108.6727	2.905	6	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:2:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:S-4:H-1:H-1:	C[5]-4:N[5]-2:	C[5](C[5]C[5]HH)(O[5]N[5])(CHHS)(H)	C(C[5]C[5]O[5]H)(SC[6a]OO)(H)2	O[5](C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]HH)(O[5]N[5])(CHHS)(H){1|C<3>}	C(C[5]C[5]O[5]H)(SC[6a]OO)(H)2	O[5](C[5]C[5]CH)(N[5]C[5]){1|C<3>,2|H<1>}	106.2530	0.000	1	106.2530	0.000	1	106.2530	0.000	1	108.6727	2.905	6	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:3:	B[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](B[5,5]O[5]3)(O[5]C[5])(CCHH)(H)	C(C[5]B[5,5]O[5]H)(CC[6a]HH)(H)2	O[5](C[5]B[5,5]CH)(C[5]O[5]N)	C[5](B[5,5]O[5]3)(O[5]C[5])(CCHH)(H){1|N<3>,2|C<4>}	C(C[5]B[5,5]O[5]H)(CC[6a]HH)(H)2	O[5](C[5]B[5,5]CH)(C[5]O[5]N){2|O<2>}	107.4460	0.010	2	107.4460	0.000	2	107.4460	0.000	2	108.8213	2.525	67	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:3:	C[3,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[3]-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CC[3]HH)(H)	C(C[5]C[3,5]O[5]H)(C[3]C[3]O[3]C)(H)2	O[5](C[5]C[3,5]CH)(C[5]C[3,5]O)	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CC[3]HH)(H){1|C<3>,1|O<1>}	C(C[5]C[3,5]O[5]H)(C[3]C[3]O[3]C)(H)2	O[5](C[5]C[3,5]CH)(C[5]C[3,5]O){1|C<3>,1|H<1>,1|O<2>}	109.0720	0.000	1	109.2965	0.101	2	109.2965	0.101	2	108.8213	2.525	67	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:3:	C[3,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[3]-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CC[3]HH)(H)	C(C[5]C[3,5]O[5]H)(C[3]C[3]O[3]C)(H)2	O[5](C[5]C[3,5]CH)(C[5]C[3,5]O)	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CC[3]HH)(H){1|C<4>,1|O<1>}	C(C[5]C[3,5]O[5]H)(C[3]C[3]O[3]C)(H)2	O[5](C[5]C[3,5]CH)(C[5]C[3,5]O){1|C<4>,1|H<1>,1|O<2>}	109.5210	0.000	1	109.2965	0.101	2	109.2965	0.101	2	108.8213	2.525	67	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:3:	C[3,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CC[5]HH)(H)	C(C[5]C[3,5]O[5]H)(C[5]C[5]O[5]C)(H)2	O[5](C[5]C[3,5]CH)(C[5]C[3,5]O)	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CC[5]HH)(H){1|C<4>,1|O<1>}	C(C[5]C[3,5]O[5]H)(C[5]C[5]O[5]C)(H)2	O[5](C[5]C[3,5]CH)(C[5]C[3,5]O){1|C<4>,1|H<1>,1|O<2>}	111.7780	0.000	1	111.7780	0.000	1	111.7780	0.000	1	108.8213	2.525	67	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:3:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,5]O[5]H)(CCHH)(H)2	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CCHH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	C(C[5]C[5,5]O[5]H)(CCHH)(H)2	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O){1|C<4>,1|H<1>,1|N<2>}	107.3590	0.000	1	107.3590	0.000	1	109.6633	3.491	6	108.8213	2.525	67	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:3:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,5]O[5]H)(CC[5]CH)(H)2	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C(C[5]C[5,5]O[5]H)(CC[5]CH)(H)2	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O){1|H<1>,3|C<4>}	111.8615	0.295	2	111.8615	0.087	2	109.6633	3.491	6	108.8213	2.525	67	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:3:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,5]O[5]H)(CCHH)(H)2	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5,5]O[5]H)(CCHH)(H)2	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O){1|C<4>,1|O<2>,2|H<1>}	108.8980	0.953	2	108.8980	0.909	2	109.6633	3.491	6	108.8213	2.525	67	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:3:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,5]O[5]H)(CC[5]HH)(H)2	O[5](C[5]C[5,5]CH)(C[5]N[5,5]O)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(CCHH)(H){1|O<1>,2|C<4>,2|H<1>}	C(C[5]C[5,5]O[5]H)(CC[5]HH)(H)2	O[5](C[5]C[5,5]CH)(C[5]N[5,5]O){1|H<1>,2|C<4>}	109.1020	0.000	1	109.1020	0.000	1	109.6633	3.491	6	108.8213	2.525	67	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:3:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6]C[3,6]C[5,6]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	O[5](C[5]C[5,6]CH)(C[5]C[5,6]O)	C[5](C[5,6]C[3,6]C[5,6]H)(O[5]C[5])(CCHH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	O[5](C[5]C[5,6]CH)(C[5]C[5,6]O){1|C<3>,1|C<4>,1|H<1>}	108.3330	0.000	1	108.3330	0.000	1	108.5790	1.161	3	108.8213	2.525	67	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:3:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	O[5](C[5]C[5,6]CH)(C[5]C[5]O)	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(CCHH)(H){1|O<1>,3|C<4>,5|H<1>}	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	O[5](C[5]C[5,6]CH)(C[5]C[5]O){2|C<4>,2|H<1>}	107.6460	0.000	1	107.6460	0.000	1	108.5790	1.161	3	108.8213	2.525	67	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:3:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	O[5](C[5]C[5,6]CH)(C[5]N[5,6]O)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|O<1>,2|C<4>,2|H<1>}	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	O[5](C[5]C[5,6]CH)(C[5]N[5,6]O){1|H<1>,2|C<4>}	109.7580	0.000	1	109.7580	0.000	1	108.5790	1.161	3	108.8213	2.525	67	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[3]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]2H)(O[5]C[5])(CC[3]HH)(H)	C(C[3]C[3]O[3]C)(C[5]C[5]O[5]H)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]2H)(O[5]C[5])(CC[3]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[3]C[3]O[3]C)(C[5]C[5]O[5]H)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>}	105.6500	0.000	1	105.6500	0.000	1	107.4585	6.541	2	108.8213	2.525	67	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[3]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CC[3]HH)(H)	C(C[3]C[3]O[3]C)(C[5]C[5]O[5]H)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CC[3]HH)(H){1|C<3>,1|O<1>}	C(C[3]C[3]O[3]C)(C[5]C[5]O[5]H)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>}	109.2670	0.000	1	109.2670	0.000	1	107.4585	6.541	2	108.8213	2.525	67	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:Br-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H)	C(C[5]C[5]O[5]H)(CC3)(Br)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]H)(CC3)(Br)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){4|H<1>}	111.6830	0.000	1	111.6830	0.000	1	111.6830	0.000	1	108.8213	2.525	67	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]2H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]2H)(O[5]C[5])(CCHH)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(CCHH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O){2|C<4>,2|H<1>}	108.9410	0.000	1	108.9410	0.000	1	108.6119	2.126	44	108.8213	2.525	67	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CC)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CC[6a]HH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CC)(O[5]C[5])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CC[6a]HH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O){1|H<1>,3|C<4>}	110.4190	0.000	1	110.4190	0.000	1	108.6119	2.126	44	108.8213	2.525	67	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCCH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CCCH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>,2|H<1>}	108.6540	0.000	1	108.6540	0.000	1	108.6119	2.126	44	108.8213	2.525	67	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCCO)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]H)(CCCO)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>}	108.1220	0.000	1	108.1220	0.000	1	108.6119	2.126	44	108.8213	2.525	67	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CCHH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>,2|H<1>}	107.2040	0.000	1	107.8930	0.949	2	108.6119	2.126	44	108.8213	2.525	67	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CCHH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O){2|C<3>,2|H<1>}	108.5820	0.000	1	107.8930	0.949	2	108.6119	2.126	44	108.8213	2.525	67	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CC[5,5,6]CH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CC[5,5,6]CH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<1>,1|C<4>,1|H<1>}	109.5390	0.000	1	109.1857	0.123	7	108.6119	2.126	44	108.8213	2.525	67	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CC[5,5,6]CH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]H)(CC[5,5,6]CH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>}	109.2456	0.207	5	109.1857	0.123	7	108.6119	2.126	44	108.8213	2.525	67	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CC[5,5,6]CH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CC[5,5,6]CH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O){2|C<4>,2|H<1>}	108.5330	0.000	1	109.1857	0.123	7	108.6119	2.126	44	108.8213	2.525	67	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CC[5,6]CH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]H)(CC[5,6]CH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>}	109.1290	0.782	6	109.1290	0.611	6	108.6119	2.126	44	108.8213	2.525	67	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>}	107.6132	1.826	4	107.6683	2.258	12	108.6119	2.126	44	108.8213	2.525	67	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O){2|C<4>,2|H<1>}	107.6959	1.455	8	107.6683	2.258	12	108.6119	2.126	44	108.8213	2.525	67	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CC[5]CO)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]H)(CC[5]CO)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>}	104.5300	0.000	1	104.5300	0.000	1	108.6119	2.126	44	108.8213	2.525	67	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CH3)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|H<1>,1|N<2>,1|O<1>}	C(C[5]C[5]O[5]H)(CH3)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|N<2>,2|H<1>}	109.2320	0.000	1	109.2320	0.000	1	108.6119	2.126	44	108.8213	2.525	67	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,3|H<1>}	107.2920	0.000	1	107.2920	0.000	1	108.6119	2.126	44	108.8213	2.525	67	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CC[5a]HH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CC[5a]HH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,3|H<1>}	109.3700	0.342	2	109.3700	0.117	2	108.6119	2.126	44	108.8213	2.525	67	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O[5]C)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CHHO)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]O)	C[5](C[5]C[5]O[5]C)(O[5]C[5])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[5]C[5]O[5]H)(CHHO)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]O){2|C<4>}	108.3400	0.000	1	108.3400	0.000	1	108.6119	2.126	44	108.8213	2.525	67	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6]O[5]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]O)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<1>,2|O<2>}	C(C[5]C[5]O[5]H)(CCHO)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]O){1|C<4>,1|H<1>}	112.1770	0.000	1	112.1770	0.000	1	108.6119	2.126	44	108.8213	2.525	67	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]C)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CC[6a]HH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[6a]C[5]C)(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>,3|C<3>}	C(C[5]C[5]O[5]H)(CC[6a]HH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O){1|H<1>,3|C<3>}	108.6540	0.000	1	108.6540	0.000	1	108.6119	2.126	44	108.8213	2.525	67	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHH)(H)2	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5]O[5]H)(CCHH)(H)2	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<3>,2|H<1>}	109.3250	0.000	1	109.3250	0.000	1	108.6119	2.126	44	108.8213	2.525	67	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CC3)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]O)	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CCHH)(H){1|O<1>,2|C<3>}	C(C[5]C[5]O[5]H)(CC3)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]O){1|C<3>,1|H<1>}	111.5640	0.000	1	111.5640	0.000	1	108.6119	2.126	44	108.8213	2.525	67	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHH)(H)2	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]CH)(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CCHH)(H)2	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<4>,2|H<1>}	108.6760	0.000	1	108.6760	0.000	1	108.6119	2.126	44	108.8213	2.525	67	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CC[6a]HH)(H)2	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]CH)(O[5]C[5])(CCHH)(H){1|O<1>,1|S<4>}	C(C[5]C[5]O[5]H)(CC[6a]HH)(H)2	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|H<1>,1|S<4>}	109.1930	0.000	1	109.1930	0.000	1	108.6119	2.126	44	108.8213	2.525	67	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHH)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]O)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H){1|O<1>}	C(C[5]C[5]O[5]H)(CCHH)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]O){1|C<4>,1|H<1>}	108.1860	0.000	1	108.1860	0.000	1	108.6119	2.126	44	108.8213	2.525	67	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:I-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHI)(H)	C(C[5]C[5]O[5]H)(CC3)(H)(I)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHI)(H){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]H)(CC3)(H)(I)	O[5](C[5]C[5]CH)(C[5]C[5]O){4|H<1>}	110.6800	0.000	1	110.6800	0.000	1	110.6800	0.000	1	108.8213	2.525	67	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]2C)(O[5]C[5])(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(C[5]C[5]2C)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]2C)(O[5]C[5])(CC[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(C[5]C[5]2C)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O){2|C<4>,2|H<1>}	107.2690	0.000	1	107.2690	0.000	1	107.9000	0.668	3	108.8213	2.525	67	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CC)(O[5]C[5])(CC[5]HH)(H)	C(C[5]C[3,5]C[5]C)(C[5]C[5]O[5]H)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CC)(O[5]C[5])(CC[5]HH)(H){1|O<1>,2|H<1>}	C(C[5]C[3,5]C[5]C)(C[5]C[5]O[5]H)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O){2|C<4>,2|H<1>}	107.6080	0.000	1	107.6080	0.000	1	107.9000	0.668	3	108.8213	2.525	67	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CC)(O[5]C[5])(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(C[5]C[5]2C)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CC)(O[5]C[5])(CC[5]HH)(H){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]H)(C[5]C[5]2C)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O){2|C<4>,2|H<1>}	108.8230	0.000	1	108.8230	0.000	1	107.9000	0.668	3	108.8213	2.525	67	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N[6]-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(O[5]C[5])(CN[6]HH)(H)	C(C[5]C[5]O[5]H)(N[6]C[6]2H)(H)2	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]HH)(O[5]C[5])(CN[6]HH)(H){1|N<2>,1|O<1>}	C(C[5]C[5]O[5]H)(N[6]C[6]2H)(H)2	O[5](C[5]C[5]CH)(C[5]N[5]O){1|N<2>,2|H<1>}	111.0710	0.307	2	111.0710	0.094	2	111.0710	0.094	2	108.8213	2.525	67	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CC[5]CO)(OH)(H)	O[5](C[5]C[5,6]O)(C[5]C[5]CH)	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCHO)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(CC[5]CO)(OH)(H)	O[5](C[5]C[5,6]O)(C[5]C[5]CH){1|C<3>,1|C<4>,2|H<1>}	109.7490	0.458	2	109.7490	0.210	2	109.1593	1.148	3	108.9630	0.920	4	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	O[5](C[5]C[6a]N[5])(C[5]C[5]CH)	C[5](C[5]N[5]HH)(O[5]C[5])(CCHO)(H){1|C<3>}	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	O[5](C[5]C[6a]N[5])(C[5]C[5]CH){2|C<3>,2|H<1>}	107.9800	0.000	1	107.9800	0.000	1	109.1593	1.148	3	108.9630	0.920	4	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:S-2:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCHS)(H)	C(C[5]C[5]O[5]H)(CCHH)(SC)(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCHS)(H){2|C<3>}	C(C[5]C[5]O[5]H)(CCHH)(SC)(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){2|C<3>,3|H<1>}	108.3740	0.000	1	108.3740	0.000	1	108.3740	0.000	1	108.9630	0.920	4	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:3:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]N[5,5]H)(O[5]C[5])(CCHO)(H)	C(C[5]C[5,5]O[5]H)(CCHO)(OC)(H)	O[5](C[5]C[5,5]CH)(C[5]N[5,5]O)	C[5](C[5,5]C[5,5]N[5,5]H)(O[5]C[5])(CCHO)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(C[5]C[5,5]O[5]H)(CCHO)(OC)(H)	O[5](C[5]C[5,5]CH)(C[5]N[5,5]O){1|H<1>,2|C<4>}	111.9795	0.647	2	111.9795	0.419	2	110.1778	4.877	4	108.6251	2.766	56	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:3:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHO)(H)	C(C[5]C[5,5]O[5]H)(CH3)(OH)(H)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHO)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[5]C[5,5]O[5]H)(CH3)(OH)(H)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O){1|C<4>,1|O<2>,2|H<1>}	109.1590	0.000	1	109.1590	0.000	1	110.1778	4.877	4	108.6251	2.766	56	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:3:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHO)(H)	C(C[5]C[5,5]O[5]H)(CHHO)(OH)(H)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHO)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>}	C(C[5]C[5,5]O[5]H)(CHHO)(OH)(H)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	107.5930	0.000	1	107.5930	0.000	1	110.1778	4.877	4	108.6251	2.766	56	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:3:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CC[5]HO)(H)	C(C[5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OH)(H)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CC[5]HO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OH)(H)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O){2|H<1>,2|O<2>}	108.5573	0.753	3	108.5573	0.567	3	108.5573	0.567	3	108.6251	2.766	56	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:3:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(CCHO)(H)	C(C[5]C[5,6]O[5]H)(CH3)(OH)(H)	O[5](C[5]C[5,6]CH)(C[5]C[5]O)	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(CCHO)(H){1|C<4>,1|N<3>,2|O<1>,4|H<1>}	C(C[5]C[5,6]O[5]H)(CH3)(OH)(H)	O[5](C[5]C[5,6]CH)(C[5]C[5]O){1|C<3>,1|C<4>,2|H<1>}	109.2600	0.000	1	109.2600	0.000	1	109.2600	0.000	1	108.6251	2.766	56	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:N-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(CCHN)(H)	C(C[5]C[5]O[5]H)(CHHO)(NN)(H)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]CH)(O[5]C[5])(CCHN)(H){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(CHHO)(NN)(H)	O[5](C[5]C[5]CH)(C[5]N[5]O){1|H<1>,2|C<4>}	108.7390	0.000	1	108.7390	0.000	1	108.7390	0.000	1	108.6251	2.766	56	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCCO)(OC)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H){1|C<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CCCO)(OC)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<1>,1|C<4>,1|H<1>}	110.9080	0.000	1	108.7895	3.086	15	108.4450	2.689	44	108.6251	2.766	56	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCCO)(OC)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]H)(CCCO)(OC)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>}	109.0733	1.430	12	108.7895	3.086	15	108.4450	2.689	44	108.6251	2.766	56	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCCO)(OC)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CCCO)(OC)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|C<4>,2|H<1>}	106.0270	0.016	2	108.7895	3.086	15	108.4450	2.689	44	108.6251	2.766	56	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,3|H<1>}	109.0430	0.000	1	109.0430	0.000	1	108.4450	2.689	44	108.6251	2.766	56	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CClCC)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]H)(CClCC)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>}	110.1610	0.000	1	110.1610	0.000	1	108.4450	2.689	44	108.6251	2.766	56	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CO)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CO)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<1>,1|O<2>}	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|C<4>,2|O<2>}	107.5010	0.000	1	107.5010	0.000	1	108.4450	2.689	44	108.6251	2.766	56	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCCO)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<1>,1|O<2>}	C(C[5]C[5]O[5]H)(CCCO)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|O<2>,2|H<1>}	106.9718	2.276	5	106.9718	5.180	5	108.4450	2.689	44	108.6251	2.766	56	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){4|H<1>}	109.1397	0.892	3	109.1397	0.795	3	108.4450	2.689	44	108.6251	2.766	56	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CC[3]CH)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CC[3]CH)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,3|H<1>}	108.6850	0.000	1	108.6850	0.000	1	108.4450	2.689	44	108.6251	2.766	56	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CC[6a]CH)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CC[6a]CH)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,3|H<1>}	108.3597	1.842	3	108.4915	2.331	4	108.4450	2.689	44	108.6251	2.766	56	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CC[6a]CH)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]H)(CC[6a]CH)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){4|H<1>}	108.8870	0.000	1	108.4915	2.331	4	108.4450	2.689	44	108.6251	2.766	56	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|H<1>,1|O<1>,1|O<2>}	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|O<2>,3|H<1>}	108.1220	0.000	1	108.1220	0.000	1	108.4450	2.689	44	108.6251	2.766	56	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HN)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CH3)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HN)(O[5]C[5])(CCHO)(H){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]H)(CH3)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|N<3>,3|H<1>}	109.7675	1.364	2	109.7675	1.861	2	108.4450	2.689	44	108.6251	2.766	56	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HN)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HN)(O[5]C[5])(CCHO)(H){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|N<4>,3|H<1>}	107.1715	0.459	2	107.1715	0.211	2	108.4450	2.689	44	108.6251	2.766	56	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H){1|H<1>,1|O<1>,1|O<2>}	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|H<1>,2|O<2>}	105.1930	0.000	1	105.1930	0.000	1	108.4450	2.689	44	108.6251	2.766	56	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<1>,1|O<2>}	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|H<1>,2|O<2>}	108.4520	0.000	1	109.0895	0.865	4	108.4450	2.689	44	108.6251	2.766	56	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H){1|H<1>,1|O<1>,1|O<2>}	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|H<1>,2|O<2>}	109.3020	1.013	3	109.0895	0.865	4	108.4450	2.689	44	108.6251	2.766	56	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]PtO)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OPt)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]PtO)(O[5]C[5])(CCHO)(H){1|O<1>,1|O<2>}	C(C[5]C[5]O[5]H)(CHHO)(OPt)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|Pt<5>,1|O<1>,1|O<2>}	108.7540	0.000	1	108.7540	0.000	1	108.4450	2.689	44	108.6251	2.766	56	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]CH)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	O[5](C[5]C[5]CH)(C[5]N[5]O){1|H<1>,2|C<4>}	108.3200	0.000	1	108.3200	0.000	1	108.4450	2.689	44	108.6251	2.766	56	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]O)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){1|O<1>}	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]O){1|C<4>,1|H<1>}	107.4800	0.000	1	107.4800	0.000	1	108.4450	2.689	44	108.6251	2.766	56	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HO)(H)	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HO)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|C<4>,2|H<1>}	108.2800	0.000	1	108.2800	0.000	1	109.0133	4.399	3	108.6251	2.766	56	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H)	C(C[5]C[5]O[5]H)2(OC[5])(H)	O[5](C[5]C[5]CH)(C[5]O[5]O)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H){1|O<1>}	C(C[5]C[5]O[5]H)2(OC[5])(H)	O[5](C[5]C[5]CH)(C[5]O[5]O){2|H<1>}	109.3800	2.827	2	109.3800	7.992	2	109.0133	4.399	3	108.6251	2.766	56	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:3:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(CCCH)(H)	C(C[5]C[5]O[5]H)(CH3)(CCH)(H)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]CH)(O[5]C[5])(CCCH)(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CH3)(CCH)(H)	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<4>,2|H<1>}	108.7485	0.545	8	108.9197	0.523	9	108.9373	0.468	10	108.9629	0.429	11	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:3:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(CCCH)(H)	C(C[5]C[5]O[5]H)(CH3)(CCH)(H)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]CH)(O[5]C[5])(CCCH)(H){1|O<1>,1|S<4>}	C(C[5]C[5]O[5]H)(CH3)(CCH)(H)	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|H<1>,1|S<4>}	110.2890	0.000	1	108.9197	0.523	9	108.9373	0.468	10	108.9629	0.429	11	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:3:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]O[5]CC)(O[5]C[5])(CCCH)(H)	C(C[5]C[5]O[5]H)(CH3)(CCH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]O)	C[5](C[5]O[5]CC)(O[5]C[5])(CCCH)(H){1|O<1>}	C(C[5]C[5]O[5]H)(CH3)(CCH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]O){2|C<4>}	109.0960	0.000	1	109.0960	0.000	1	108.9373	0.468	10	108.9629	0.429	11	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:3:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:N-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHN)(H)	C(C[5]C[5]O[5]H)(CC[6a]HH)(NCH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHN)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CC[6a]HH)(NCH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,3|H<1>}	109.2190	0.000	1	109.2190	0.000	1	109.2190	0.000	1	108.9629	0.429	11	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:1:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:I-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCCI)(H)	C(C[5]C[5]O[5]H)(CH3)2(I)	O[5](C[5]C[5,6]O)(C[5]C[5]CH)	C[5](C[5]C[5,6]HH)(O[5]C[5])(CCCI)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(CH3)2(I)	O[5](C[5]C[5,6]O)(C[5]C[5]CH){1|C<3>,1|C<4>,2|H<1>}	108.5017	0.273	3	108.5017	0.074	3	108.5017	0.074	3	108.5017	0.074	3	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:1:	4:2:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-2:	C[5](C[5]C[5]HH)(O[5]N[5])(CC[5]CH)(H)	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(CH3)(H)	O[5](C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]HH)(O[5]N[5])(CC[5]CH)(H){1|C<3>}	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(CH3)(H)	O[5](C[5]C[5]CH)(N[5]C[5]){1|C<3>,2|H<1>}	108.6490	0.000	1	108.6490	0.000	1	108.6490	0.000	1	108.6490	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:1:	4:3:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(CCCH)(H)	C(C[5]C[5,5]O[5]H)(CCHO)(CH3)(H)	O[5](C[5]C[5,5]CH)(C[5]O[5]O)	C[5](C[5,5]C[5]2O[5])(O[5]C[5])(CCCH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C(C[5]C[5,5]O[5]H)(CCHO)(CH3)(H)	O[5](C[5]C[5,5]CH)(C[5]O[5]O){2|C<4>}	107.0060	0.000	1	107.0060	0.000	1	107.0060	0.000	1	108.6578	1.307	12	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[4]N[5]C)(O[5]C[5])(CCCH)(H)	C(C[5]C[5]O[5]H)(CHHO)2(H)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]C[4]N[5]C)(O[5]C[5])(CCCH)(H){1|H<1>,1|O<1>,3|C<4>}	C(C[5]C[5]O[5]H)(CHHO)2(H)	O[5](C[5]C[5]CH)(C[5]N[5]O){3|C<4>}	108.9635	0.617	2	108.9635	0.381	2	108.8080	1.140	11	108.6578	1.307	12	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CCCH)(H)	C(C[5]C[5]O[5]H)(CCHO)(CH3)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CCCH)(H){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]H)(CCHO)(CH3)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,3|H<1>}	106.8160	0.000	1	106.8160	0.000	1	108.8080	1.140	11	108.6578	1.307	12	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CCCH)(H)	C(C[5]C[5]O[5]H)(CC[5a]HH)(CH3)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCH)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CC[5a]HH)(CH3)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,3|H<1>}	108.7790	0.000	1	108.7790	0.000	1	108.8080	1.140	11	108.6578	1.307	12	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HO)(O[5]C[5])(CCCH)(H)	C(C[5]C[5]O[5]H)(CCCH)(CH3)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HO)(O[5]C[5])(CCCH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CCCH)(CH3)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|O<2>,2|H<1>}	107.5980	0.031	2	107.5980	0.001	2	108.8080	1.140	11	108.6578	1.307	12	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HO)(O[5]C[5])(CCCH)(H)	C(C[5]C[5]O[5]H)(CH3)2(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HO)(O[5]C[5])(CCCH)(H){1|H<1>,1|O<1>,1|S<2>}	C(C[5]C[5]O[5]H)(CH3)2(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|O<2>,1|S<2>,2|H<1>}	109.5390	0.037	2	109.5390	0.001	2	108.8080	1.140	11	108.6578	1.307	12	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CC)(O[5]C[5])(CCCH)(H)	C(C[5]C[5]O[5]H)(CH3)2(H)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]CC)(O[5]C[5])(CCCH)(H){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]H)(CH3)2(H)	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<4>,2|C<3>}	109.9920	0.000	1	109.9920	0.000	1	108.8080	1.140	11	108.6578	1.307	12	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(CCCH)(H)	C(C[5]C[5]O[5]H)(CH3)2(H)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]CH)(O[5]C[5])(CCCH)(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CH3)2(H)	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<3>,2|H<1>}	110.0520	0.000	1	110.0520	0.000	1	108.8080	1.140	11	108.6578	1.307	12	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]O[5]HH)(O[5]C[5])(CCCH)(H)	C(C[5]C[5]O[5]H)(CCHO)(CH3)(H)	O[5](C[5]C[5]CH)(C[5]O[5]O)	C[5](C[5]O[5]HH)(O[5]C[5])(CCCH)(H){1|O<1>}	C(C[5]C[5]O[5]H)(CCHO)(CH3)(H)	O[5](C[5]C[5]CH)(C[5]O[5]O){2|H<1>}	109.0480	0.000	1	109.0480	0.000	1	108.8080	1.140	11	108.6578	1.307	12	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:2:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,3x6]HH)(O[5]C[5,6])(CCCO)(H)	C(C[5]C[5]O[5]H)(CH3)2(OH)	O[5](C[5,6]C[5,3x6]C[6])(C[5]C[5]CH)	C[5](C[5]C[5,3x6]HH)(O[5]C[5,6])(CCCO)(H){1|C<3>,2|C<4>}	C(C[5]C[5]O[5]H)(CH3)2(OH)	O[5](C[5,6]C[5,3x6]C[6])(C[5]C[5]CH){1|C<3>,2|C<4>,3|H<1>}	109.8200	0.000	1	109.8200	0.000	1	108.0383	1.268	9	108.8265	2.367	18	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:2:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(CCCO)(H)	C(C[5]C[5]O[5]H)(CH3)2(OH)	O[5](C[5,6]C[5,6,6]C[6])(C[5]C[5]CH)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(CCCO)(H){1|C<4>,2|C<3>}	C(C[5]C[5]O[5]H)(CH3)2(OH)	O[5](C[5,6]C[5,6,6]C[6])(C[5]C[5]CH){2|C<3>,2|C<4>,2|H<1>}	107.1780	1.305	3	107.1780	1.704	3	108.0383	1.268	9	108.8265	2.367	18	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:2:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCCO)(H)	C(C[5]C[5]O[5]H)(CH3)2(OH)	O[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]CH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCCO)(H){1|C<3>,1|C<4>}	C(C[5]C[5]O[5]H)(CH3)2(OH)	O[5](C[5,6]C[5,6]C[6,6])(C[5]C[5]CH){1|C<4>,2|H<1>,3|C<3>}	107.9877	0.588	3	107.9877	0.346	3	108.0383	1.268	9	108.8265	2.367	18	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:2:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCCO)(H)	C(C[5]C[5]O[5]H)(CHHO)(CH3)(OH)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCCO)(H){2|C<3>}	C(C[5]C[5]O[5]H)(CHHO)(CH3)(OH)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH){1|O<1>,2|C<3>,2|H<1>}	108.8220	0.000	1	108.8220	0.000	1	108.0383	1.268	9	108.8265	2.367	18	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:2:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCCO)(H)	C(C[5]C[5]O[5]H)(CHHO)(CH3)(OH)	O[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]CH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCCO)(H){2|C<3>}	C(C[5]C[5]O[5]H)(CHHO)(CH3)(OH)	O[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]CH){2|H<1>,3|C<3>}	108.2060	0.000	1	108.2060	0.000	1	108.0383	1.268	9	108.8265	2.367	18	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:2:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCCO)(H)	C(C[5]C[5]O[5]H)(CH3)2(OH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCCO)(H){2|C<3>}	C(C[5]C[5]O[5]H)(CH3)2(OH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|C<4>,2|C<3>,2|H<1>}	107.2620	0.000	1	108.6063	0.884	4	108.9870	0.830	7	108.8265	2.367	18	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:2:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCCO)(H)	C(C[5]C[5]O[5]H)(CH3)2(OH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCCO)(H){2|C<3>}	C(C[5]C[5]O[5]H)(CH3)2(OH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|O<2>,2|C<3>,2|H<1>}	109.0460	0.000	1	108.6063	0.884	4	108.9870	0.830	7	108.8265	2.367	18	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:2:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCCO)(H)	C(C[5]C[5]O[5]H)(CH3)2(OH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCCO)(H){2|C<3>}	C(C[5]C[5]O[5]H)(CH3)2(OH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){2|C<3>,3|H<1>}	109.0585	0.493	2	108.6063	0.884	4	108.9870	0.830	7	108.8265	2.367	18	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:2:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCCO)(H)	C(C[5]C[5]O[5]H)(CHHO)(CH3)(OH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CCCO)(H){2|C<3>}	C(C[5]C[5]O[5]H)(CHHO)(CH3)(OH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){2|C<3>,3|H<1>}	109.2010	0.000	1	109.2010	0.000	1	108.9870	0.830	7	108.8265	2.367	18	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:2:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HO)(O[5]C[5,6a])(CCCO)(H)	C(C[5]C[5]O[5]H)(CH3)2(OH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]HO)(O[5]C[5,6a])(CCCO)(H){2|C<3>}	C(C[5]C[5]O[5]H)(CH3)2(OH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|H<1>,2|C<3>,2|O<2>}	110.2920	0.000	1	109.6415	0.846	2	108.9870	0.830	7	108.8265	2.367	18	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:2:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HO)(O[5]C[5,6a])(CCCO)(H)	C(C[5]C[5]O[5]H)(CH3)2(OH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,6a]HO)(O[5]C[5,6a])(CCCO)(H){2|C<3>}	C(C[5]C[5]O[5]H)(CH3)2(OH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH){1|O<2>,2|C<3>,2|H<1>}	108.9910	0.000	1	109.6415	0.846	2	108.9870	0.830	7	108.8265	2.367	18	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:2:	3:4:	P[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5,6]-3:C[5]-4:	C[5](P[5]C[5,6]PdC)(O[5]C[5,6])(CCCO)(H)	C(C[5]O[5]P[5]H)(CH3)2(OPd)	O[5](C[5,6]C[5,6]C[6])(C[5]P[5]CH)	C[5](P[5]C[5,6]PdC)(O[5]C[5,6])(CCCO)(H){1|C<3>,1|C<4>}	C(C[5]O[5]P[5]H)(CH3)2(OPd)	O[5](C[5,6]C[5,6]C[6])(C[5]P[5]CH){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	110.9410	0.000	1	110.9410	0.000	1	110.9410	0.000	1	108.8265	2.367	18	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:2:	3:4:	P[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5,6a]-3:C[5]-4:	C[5](P[5]C[5,6a]PdC)(O[5]C[5,6a])(CCCO)(H)	C(C[5]O[5]P[5]H)(CH3)2(OPd)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]CH)	C[5](P[5]C[5,6a]PdC)(O[5]C[5,6a])(CCCO)(H){2|C<3>}	C(C[5]O[5]P[5]H)(CH3)2(OPd)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]CH){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	112.6820	0.000	1	112.6820	0.000	1	112.6820	0.000	1	108.8265	2.367	18	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:4:	4:2:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:N[5]-2:	C[5](C[5]C[5]CH)(O[5]N[5])(CC3)(H)	C(C[5]C[5]O[5]H)(CH3)3	O[5](C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]CH)(O[5]N[5])(CC3)(H){1|C<3>}	C(C[5]C[5]O[5]H)(CH3)3	O[5](C[5]C[5]CH)(N[5]C[5]){1|H<1>,2|C<3>}	109.1630	0.479	2	109.1630	0.230	2	109.1630	0.230	2	109.1630	0.230	2	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:4:	4:3:	P[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-3:	C[5](P[5]N[5]CW)(O[5]C[5])(CC3)(H)	C(C[5]O[5]P[5]H)(CH3)3	O[5](C[5]P[5]CH)(C[5]N[5]C)	C[5](P[5]N[5]CW)(O[5]C[5])(CC3)(H){1|C<4>}	C(C[5]O[5]P[5]H)(CH3)3	O[5](C[5]P[5]CH)(C[5]N[5]C){1|C<4>,1|W<6>}	109.0670	0.000	1	109.0670	0.000	1	109.0670	0.000	1	109.0670	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:2:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CF3)(OH)	C(C[5]C[5]O[5]O)(F)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CF3)(OH){2|C<3>}	C(C[5]C[5]O[5]O)(F)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO){2|C<3>,3|H<1>}	106.0900	0.000	1	106.0900	0.000	1	106.0900	0.000	1	105.3515	1.091	2	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:2:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:F-1:F-1:F-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CF3)(OH)	C(C[5]C[5]O[5]O)(F)3	O[5](C[5]C[6a]C[5])(C[5]C[5]CO)	C[5](C[5]C[5]HH)(O[5]C[5])(CF3)(OH){1|C<2>,1|C<3>}	C(C[5]C[5]O[5]O)(F)3	O[5](C[5]C[6a]C[5])(C[5]C[5]CO){1|C<2>,2|C<3>,2|H<1>}	104.6130	0.000	1	104.6130	0.000	1	104.6130	0.000	1	105.3515	1.091	2	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:2:	4:1:1:1:	4:3:	C[5,5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,5]N[5,5]O[5]C)(O[5]C[5])(CH3)(OC)	C(C[5]C[5,5]O[5]O)(H)3	O[5](C[5]C[5,5]CO)(C[5]N[5,5]O)	C[5](C[5,5]N[5,5]O[5]C)(O[5]C[5])(CH3)(OC){1|C<3>,1|C<4>,1|O<1>}	C(C[5]C[5,5]O[5]O)(H)3	O[5](C[5]C[5,5]CO)(C[5]N[5,5]O){1|O<2>,2|C<4>}	107.8580	0.000	1	107.6614	0.528	10	107.6614	0.528	10	107.7499	0.803	23	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:2:	4:1:1:1:	4:3:	C[5,5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,5]N[5,5]O[5]C)(O[5]C[5])(CH3)(OC)	C(C[5]C[5,5]O[5]O)(H)3	O[5](C[5]C[5,5]CO)(C[5]N[5,5]O)	C[5](C[5,5]N[5,5]O[5]C)(O[5]C[5])(CH3)(OC){1|O<1>,2|C<3>}	C(C[5]C[5,5]O[5]O)(H)3	O[5](C[5]C[5,5]CO)(C[5]N[5,5]O){1|C<3>,1|C<4>,1|O<2>}	107.7220	0.000	1	107.6614	0.528	10	107.6614	0.528	10	107.7499	0.803	23	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:2:	4:1:1:1:	4:3:	C[5,5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,5]N[5,5]O[5]C)(O[5]C[5])(CH3)(OC)	C(C[5]C[5,5]O[5]O)(H)3	O[5](C[5]C[5,5]CO)(C[5]N[5,5]O)	C[5](C[5,5]N[5,5]O[5]C)(O[5]C[5])(CH3)(OC){1|O<1>,2|C<4>}	C(C[5]C[5,5]O[5]O)(H)3	O[5](C[5]C[5,5]CO)(C[5]N[5,5]O){1|O<2>,2|C<4>}	107.6292	0.820	8	107.6614	0.528	10	107.6614	0.528	10	107.7499	0.803	23	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:2:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CN)(O[5]C[5])(CH3)(OH)	C(C[5]C[5]O[5]O)(H)3	O[5](C[5]C[5]CO)(C[5]C[5]C)	C[5](C[5]C[5]CN)(O[5]C[5])(CH3)(OH){1|C<3>,1|C<4>}	C(C[5]C[5]O[5]O)(H)3	O[5](C[5]C[5]CO)(C[5]C[5]C){1|N<3>,2|C<3>}	106.5640	0.000	1	106.5640	0.000	1	107.8179	1.064	13	107.7499	0.803	23	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:2:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CO)(O[5]C[5])(CH3)(OH)	C(C[5]C[5]O[5]O)(H)3	O[5](C[5]C[5]CO)(C[5]C[5]C)	C[5](C[5]C[5]CO)(O[5]C[5])(CH3)(OH){1|C<3>,1|C<4>}	C(C[5]C[5]O[5]O)(H)3	O[5](C[5]C[5]CO)(C[5]C[5]C){1|O<2>,2|C<3>}	107.7840	0.000	1	107.7840	0.000	1	107.8179	1.064	13	107.7499	0.803	23	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:2:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(OC)	C(C[5]C[5]O[5]O)(H)3	O[5](C[5]C[5]CO)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(OC){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]O)(H)3	O[5](C[5]C[5]CO)(C[5]C[5]O){4|H<1>}	109.3120	0.000	1	109.3120	0.000	1	107.8179	1.064	13	107.7499	0.803	23	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:2:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CO)(O[5]C[5])(CH3)(OC)	C(C[5]C[5]O[5]O)(H)3	O[5](C[5]C[5]CO)(C[5]N[5]O)	C[5](C[5]N[5]CO)(O[5]C[5])(CH3)(OC){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]O)(H)3	O[5](C[5]C[5]CO)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<2>}	107.0643	0.664	4	107.5519	0.443	9	107.8179	1.064	13	107.7499	0.803	23	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:2:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CO)(O[5]C[5])(CH3)(OC)	C(C[5]C[5]O[5]O)(H)3	O[5](C[5]C[5]CO)(C[5]N[5]O)	C[5](C[5]N[5]CO)(O[5]C[5])(CH3)(OC){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]O)(H)3	O[5](C[5]C[5]CO)(C[5]N[5]O){1|O<2>,2|C<4>}	107.9420	0.356	5	107.5519	0.443	9	107.8179	1.064	13	107.7499	0.803	23	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:2:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]O[5]CC)(O[5]C[5])(CH3)(OC)	C(C[5]C[5]O[5]O)(H)3	O[5](C[5]C[5]CO)(C[5]O[5]O)	C[5](C[5]O[5]CC)(O[5]C[5])(CH3)(OC){1|O<1>}	C(C[5]C[5]O[5]O)(H)3	O[5](C[5]C[5]CO)(C[5]O[5]O){2|C<4>}	110.0060	0.000	1	110.0060	0.000	1	107.8179	1.064	13	107.7499	0.803	23	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:2:	4:2:1:1:	4:2:	C[5]-4:O[5]-2:C-4:S-2:	C[5]-4:C-2:H-1:H-1:	C[5]-4:N[5]-2:	C[5](C[5]C[5]HH)(O[5]N[5])(CCHH)(SC)	C(C[5]C[5]O[5]S)(CN)(H)2	O[5](C[5]C[5]CS)(N[5]C[5])	C[5](C[5]C[5]HH)(O[5]N[5])(CCHH)(SC){1|C<3>}	C(C[5]C[5]O[5]S)(CN)(H)2	O[5](C[5]C[5]CS)(N[5]C[5]){1|C<3>,2|H<1>}	104.4350	0.000	1	104.4350	0.000	1	104.4350	0.000	1	104.4350	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:2:	4:2:1:1:	4:3:	C[5,5,6]-4:O[5]-2:C-4:O-2:	C[5]-4:S-2:F-1:F-1:	C[5]-4:C[5]-3:	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(CFFS)(OH)	C(C[5]C[5,5,6]O[5]O)(SC[6a])(F)2	O[5](C[5]C[5,5,6]CO)(C[5]C[5,5,6]O)	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(CFFS)(OH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[5]C[5,5,6]O[5]O)(SC[6a])(F)2	O[5](C[5]C[5,5,6]CO)(C[5]C[5,5,6]O){2|C<4>,2|H<1>}	104.9320	0.000	1	104.9320	0.000	1	104.9320	0.000	1	104.9320	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:3:	4:1:1:1:	3:4:	N[5]-4:O[5]-2:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](N[5]C[5,6a]CdH)(O[5]C[5,6a])(CH3)(CCN)	C(C[5]N[5]O[5]C)(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)	C[5](N[5]C[5,6a]CdH)(O[5]C[5,6a])(CH3)(CCN){2|C<3>}	C(C[5]N[5]O[5]C)(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC){1|Cd<4>,1|C<4>,1|H<1>,2|C<3>}	109.6220	0.000	1	109.6220	0.000	1	109.6220	0.000	1	109.6220	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:3:	4:1:1:1:	4:3:	C[5,5,6]-4:O[5]-2:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,5,6]C[5,6]2O[5])(O[5]C[5])(CH3)(CHH)	C(C[5]C[5,5,6]O[5]C)(H)3	O[5](C[5]C[5,5,6]CC)(C[5]C[5,6]O)	C[5](C[5,5,6]C[5,6]2O[5])(O[5]C[5])(CH3)(CHH){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C(C[5]C[5,5,6]O[5]C)(H)3	O[5](C[5]C[5,5,6]CC)(C[5]C[5,6]O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	109.0410	0.000	1	109.0410	0.000	1	109.0410	0.000	1	106.9015	2.951	6	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:3:	4:1:1:1:	4:3:	C[5,5]-4:O[5]-2:C-4:C-3:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(CF3)(COO)	C(C[5]C[5,5]O[5]C)(F)3	O[5](C[5]C[5,5]CC)(C[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(CF3)(COO){1|C<2>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[5]C[5,5]O[5]C)(F)3	O[5](C[5]C[5,5]CC)(C[5]C[5]H){1|C<2>,2|C<3>}	104.0620	0.000	1	104.0620	0.000	1	104.0620	0.000	1	106.9015	2.951	6	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:3:	4:1:1:1:	4:3:	C[5,6]-4:O[5]-2:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(COO)	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5]C[5,6]CC)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(COO){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5]C[5,6]CC)(C[5]C[5,6]O){1|C<4>,1|N<3>,2|H<1>}	106.6280	0.000	1	106.6280	0.000	1	106.6280	0.000	1	106.9015	2.951	6	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:3:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(CCH)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(CCH){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O){1|O<2>,3|H<1>}	107.6770	0.000	1	107.6770	0.000	1	106.9175	1.154	2	106.9015	2.951	6	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:3:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(CCH)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]C)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(CCH){1|C<4>,3|C<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]C){1|H<1>,2|C<3>}	106.1580	0.000	1	106.1580	0.000	1	106.9175	1.154	2	106.9015	2.951	6	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:3:	4:1:1:1:	4:3:	P[5]-4:O[5]-2:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](P[5]C[5]OO)(O[5]C[5])(CH3)(COO)	C(C[5]O[5]P[5]C)(H)3	O[5](C[5]P[5]CC)(C[5]C[5]O)	C[5](P[5]C[5]OO)(O[5]C[5])(CH3)(COO){1|C<4>,1|O<1>,1|O<2>}	C(C[5]O[5]P[5]C)(H)3	O[5](C[5]P[5]CC)(C[5]C[5]O){1|C<4>,1|O<2>,2|O<1>}	107.8430	0.000	1	107.8430	0.000	1	107.8430	0.000	1	106.9015	2.951	6	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:3:	4:3:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(COO)	C(C[5]C[5]O[5]C)(COO)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(COO){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]C)(COO)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]O){1|C<3>,3|H<1>}	108.6735	0.063	2	108.6735	0.004	2	108.1400	0.856	3	108.1400	0.856	3	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:3:	4:3:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(COO)	C(C[5]C[5]O[5]C)(COO)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(COO){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]C)(COO)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]O){4|H<1>}	107.0730	0.000	1	107.0730	0.000	1	108.1400	0.856	3	108.1400	0.856	3	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:3:	4:4:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:C-4:Cl-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5a]C[5]H)(O[5]C[5])(CClCH)(COO)	C(C[5]C[5]O[5]C)(CC[6a]HH)(Cl)(H)	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5a]C[5]H)(O[5]C[5])(CClCH)(COO){1|C<3>,1|O<1>,1|S<2>,2|H<1>}	C(C[5]C[5]O[5]C)(CC[6a]HH)(Cl)(H)	O[5](C[5]C[5]CC)(C[5]C[5]O){1|C<3>,3|H<1>}	108.7950	0.000	1	108.7950	0.000	1	108.7950	0.000	1	107.1700	5.281	2	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:3:	4:4:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(COO)	C(C[5]C[5]O[5]C)(CCHN)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(COO){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]C)(CCHN)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]O){4|H<1>}	105.5450	0.000	1	105.5450	0.000	1	105.5450	0.000	1	107.1700	5.281	2	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:	C[5](C[5,5]C[3x5,6]C[5]H)(O[5]C[5,6])(CH3)2	C(C[5]C[5,5]O[5]C)(H)3	O[5](C[5,6]C[3x5,6]C[6])(C[5]C[5,5]CC)	C[5](C[5,5]C[3x5,6]C[5]H)(O[5]C[5,6])(CH3)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[5,5]O[5]C)(H)3	O[5](C[5,6]C[3x5,6]C[6])(C[5]C[5,5]CC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	107.1725	0.299	2	107.1725	0.089	2	106.8593	0.219	4	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(CCHH)(CH3)	C(C[5]C[5,5]O[5]C)(H)3	O[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]CC)	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(CCHH)(CH3){1|C<4>,2|H<1>,3|C<3>}	C(C[5]C[5,5]O[5]C)(H)3	O[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]CC){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	106.2490	0.000	1	106.5460	0.176	2	106.8593	0.219	4	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(CCHH)(CH3)	C(C[5]C[5,5]O[5]C)(H)3	O[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]CC)	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(CCHH)(CH3){2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,5]O[5]C)(H)3	O[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]CC){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	106.8430	0.000	1	106.5460	0.176	2	106.8593	0.219	4	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5])(CH3)2	C(C[5]C[5,5]O[5]C)(H)3	O[5](C[5]C[5,5,6]O)(C[5]C[5,5]CC)	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5])(CH3)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[5]C[5,5]O[5]C)(H)3	O[5](C[5]C[5,5,6]O)(C[5]C[5,5]CC){1|C<3>,1|H<1>,2|C<4>}	106.0775	0.747	4	106.0775	0.558	4	106.0775	0.558	4	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-3:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]B[5,5]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|B<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]B[5,5]O[5])(C[5]C[5]CC){1|N<4>,2|C<4>,2|O<2>}	108.0790	0.960	4	108.0790	0.922	4	107.4329	1.617	1128	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-3:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]B[5]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|B<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]B[5]O[5])(C[5]C[5]CC){2|C<4>,2|N<3>}	107.4778	0.719	8	107.4338	0.598	16	107.4329	1.617	1128	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-3:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]B[5]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|B<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]B[5]O[5])(C[5]C[5]CC){2|C<4>,2|O<2>}	107.3038	1.220	4	107.4338	0.598	16	107.4329	1.617	1128	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-3:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]B[5]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|B<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]B[5]O[5])(C[5]C[5]CC){1|C<3>,2|C<4>,2|O<2>}	107.4760	0.516	4	107.4338	0.598	16	107.4329	1.617	1128	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-3:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]B[5x3,5x5,20x6]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|B<6>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]B[5x3,5x5,20x6]O[5])(C[5]C[5]CC){2|C<4>,5|B<6>}	107.5352	1.128	4	107.5352	1.272	4	107.4329	1.617	1128	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-3:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]B[6a]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|B<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]B[6a]O[5])(C[5]C[5]CC){2|C<4>,2|N<3>}	107.5667	1.435	4	107.6776	1.777	8	107.4329	1.617	1128	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-3:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]B[6a]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|B<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]B[6a]O[5])(C[5]C[5]CC){1|N<3>,2|C<3>,2|C<4>}	107.7885	1.433	4	107.6776	1.777	8	107.4329	1.617	1128	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-3:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[3]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[3]O[5])(C[5]C[5]CC){1|C<3>,4|C<4>}	106.9145	1.198	8	107.5641	1.503	36	107.4329	1.617	1128	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-3:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[3]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[3]O[5])(C[5]C[5]CC){1|H<1>,4|C<4>}	107.9382	1.327	16	107.5641	1.503	36	107.4329	1.617	1128	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-3:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[3]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[3]O[5])(C[5]C[5]CC){1|N<3>,4|C<4>}	107.2180	0.777	4	107.5641	1.503	36	107.4329	1.617	1128	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-3:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[3]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[3]O[5])(C[5]C[5]CC){5|C<4>}	107.6384	1.081	8	107.5641	1.503	36	107.4329	1.617	1128	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-3:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[4]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[4]O[5])(C[5]C[5]CC){1|H<1>,4|C<4>}	107.5910	1.408	4	107.5704	1.343	31	107.4329	1.617	1128	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-3:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[4]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[4]O[5])(C[5]C[5]CC){5|C<4>}	107.5673	1.149	27	107.5704	1.343	31	107.4329	1.617	1128	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-3:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[5,6]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[5,6]O[5])(C[5]C[5]CC){5|C<4>}	107.5812	1.201	4	107.5812	1.443	4	107.4329	1.617	1128	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-3:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[5]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[5]O[5])(C[5]C[5]CC){1|Se<2>,1|C<3>,2|C<4>}	107.4527	1.287	20	107.4410	1.417	99	107.4329	1.617	1128	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-3:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[5]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[5]O[5])(C[5]C[5]CC){2|C<3>,2|C<4>}	107.3362	1.287	20	107.4410	1.417	99	107.4329	1.617	1128	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-3:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[5]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[5]O[5])(C[5]C[5]CC){1|B<3>,1|B<4>,3|C<4>}	108.0209	1.487	8	107.4410	1.417	99	107.4329	1.617	1128	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-3:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[5]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[5]O[5])(C[5]C[5]CC){1|B<3>,1|N<3>,3|C<4>}	107.5977	1.327	8	107.4410	1.417	99	107.4329	1.617	1128	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-3:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[5]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[5]O[5])(C[5]C[5]CC){1|C<3>,1|H<1>,3|C<4>}	107.4678	1.242	11	107.4410	1.417	99	107.4329	1.617	1128	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-3:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[5]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[5]O[5])(C[5]C[5]CC){1|C<3>,1|N<3>,3|C<4>}	107.5905	1.075	8	107.4410	1.417	99	107.4329	1.617	1128	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-3:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[5]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[5]O[5])(C[5]C[5]CC){1|Co<9>,4|C<4>}	107.3948	1.401	4	107.4410	1.417	99	107.4329	1.617	1128	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-3:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[5]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[5]O[5])(C[5]C[5]CC){1|Fe<10>,4|C<4>}	107.1271	0.618	8	107.4410	1.417	99	107.4329	1.617	1128	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-3:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[5]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[5]O[5])(C[5]C[5]CC){1|H<1>,1|N<3>,3|C<4>}	106.7155	0.589	4	107.4410	1.417	99	107.4329	1.617	1128	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-3:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[5]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[5]O[5])(C[5]C[5]CC){1|H<1>,4|C<4>}	107.4112	1.084	4	107.4410	1.417	99	107.4329	1.617	1128	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-3:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[5]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[5]O[5])(C[5]C[5]CC){1|N<3>,4|C<4>}	107.4887	1.321	4	107.4410	1.417	99	107.4329	1.617	1128	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-3:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[5a]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[5a]O[5])(C[5]C[5]CC){1|C<3>,1|N<2>,2|C<4>}	107.3588	1.106	4	107.3679	1.918	84	107.4329	1.617	1128	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-3:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[5a]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[5a]O[5])(C[5]C[5]CC){1|C<3>,1|N<3>,2|C<4>}	107.2292	1.924	12	107.3679	1.918	84	107.4329	1.617	1128	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-3:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[5a]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[5a]O[5])(C[5]C[5]CC){1|C<3>,1|O<2>,2|C<4>}	107.3905	1.583	4	107.3679	1.918	84	107.4329	1.617	1128	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-3:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[5a]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[5a]O[5])(C[5]C[5]CC){1|C<3>,1|S<2>,2|C<4>}	107.3514	1.341	44	107.3679	1.918	84	107.4329	1.617	1128	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-3:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[5a]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[5a]O[5])(C[5]C[5]CC){2|C<3>,2|C<4>}	107.4846	1.243	20	107.3679	1.918	84	107.4329	1.617	1128	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-3:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[6]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[6]O[5])(C[5]C[5]CC){1|C<3>,3|C<4>}	107.6683	1.336	4	107.4032	1.486	112	107.4329	1.617	1128	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-3:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[6]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[6]O[5])(C[5]C[5]CC){2|C<3>,2|C<4>}	107.3279	1.325	20	107.4032	1.486	112	107.4329	1.617	1128	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-3:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[6]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[6]O[5])(C[5]C[5]CC){1|B<3>,1|C<3>,3|C<4>}	107.6131	1.652	8	107.4032	1.486	112	107.4329	1.617	1128	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-3:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[6]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[6]O[5])(C[5]C[5]CC){1|B<3>,2|C<4>,2|N<3>}	107.2960	1.138	8	107.4032	1.486	112	107.4329	1.617	1128	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-3:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[6]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[6]O[5])(C[5]C[5]CC){1|B<3>,4|C<4>}	107.5703	1.500	4	107.4032	1.486	112	107.4329	1.617	1128	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-3:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[6]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[6]O[5])(C[5]C[5]CC){1|C<3>,1|H<1>,3|C<4>}	107.3683	1.961	8	107.4032	1.486	112	107.4329	1.617	1128	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-3:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[6]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[6]O[5])(C[5]C[5]CC){1|C<3>,4|C<4>}	107.4526	1.252	8	107.4032	1.486	112	107.4329	1.617	1128	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-3:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[6]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[6]O[5])(C[5]C[5]CC){1|H<1>,2|C<4>,2|N<3>}	107.3023	0.657	4	107.4032	1.486	112	107.4329	1.617	1128	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-3:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[6]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[6]O[5])(C[5]C[5]CC){1|H<1>,4|C<4>}	107.3874	1.043	48	107.4032	1.486	112	107.4329	1.617	1128	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-3:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[6a]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[6a]O[5])(C[5]C[5]CC){1|C<3>,1|N<2>,2|C<4>}	107.4108	1.606	4	107.4202	1.699	679	107.4329	1.617	1128	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-3:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[6a]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[6a]O[5])(C[5]C[5]CC){2|C<3>,2|C<4>}	107.4202	1.303	675	107.4202	1.699	679	107.4329	1.617	1128	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-3:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]N[6]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|N<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]N[6]O[5])(C[5]C[5]CC){1|C<3>,1|N<3>,2|C<4>}	107.5162	0.823	4	107.4887	1.604	47	107.4329	1.617	1128	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-3:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]N[6]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|N<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]N[6]O[5])(C[5]C[5]CC){1|C<3>,3|C<4>}	107.5136	1.624	19	107.4887	1.604	47	107.4329	1.617	1128	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-3:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]N[6]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|N<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]N[6]O[5])(C[5]C[5]CC){2|C<3>,2|C<4>}	107.4643	1.027	24	107.4887	1.604	47	107.4329	1.617	1128	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-3:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]N[6a]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|N<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]N[6a]O[5])(C[5]C[5]CC){2|C<3>,2|C<4>}	107.2943	1.121	4	107.2943	1.256	4	107.4329	1.617	1128	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,6]C[5,6]O[6])(C[5]C[5]CC)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHH)(CH3){1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,6]C[5,6]O[6])(C[5]C[5]CC){2|C<4>,3|H<1>}	105.6650	0.000	3	105.6650	0.000	3	105.9835	0.272	13	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CH3)2{2|C<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC){1|O<1>,2|C<3>,2|H<1>}	106.0731	0.639	8	106.0731	0.409	8	105.9835	0.272	13	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]HN)(O[5]C[5,6])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]CC)	C[5](C[5]C[5,6]HN)(O[5]C[5,6])(CH3)2{2|C<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,6]C[6,6a]C[5,6])(C[5]C[5]CC){1|H<1>,1|N<3>,3|C<3>}	106.1030	0.014	2	106.1030	0.000	2	105.9835	0.272	13	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,6a]C[5,6a]2)(C[5]C[5]CC)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CH3)2{2|C<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,6a]C[5,6a]2)(C[5]C[5]CC){1|O<2>,2|C<3>,2|H<1>}	106.6810	0.489	4	106.6810	0.239	4	106.6034	0.227	32	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CH3)2{2|C<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC){1|O<2>,2|C<3>,2|H<1>}	106.5758	0.536	22	106.5923	0.233	28	106.6034	0.227	32	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(CH3)2{2|C<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC){1|O<3>,2|C<3>,2|H<1>}	106.6530	0.221	6	106.5923	0.233	28	106.6034	0.227	32	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[6a]C[5])(C[5]C[5]CC)	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2{2|C<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[6a]C[5])(C[5]C[5]CC){1|C<4>,1|H<1>,3|C<3>}	106.7560	0.144	2	106.7560	0.021	2	106.5487	0.856	38	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]N[5])(C[5]C[5]CC)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]N[5])(C[5]C[5]CC){1|Fe<10>,1|H<1>,3|C<4>}	106.6217	1.082	6	106.5170	0.788	12	106.5487	0.856	38	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]N[5])(C[5]C[5]CC)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|Li<4>,1|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]N[5])(C[5]C[5]CC){1|Fe<10>,1|Li<4>,1|H<1>,3|C<4>}	106.2360	0.872	4	106.5170	0.788	12	106.5487	0.856	38	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]N[5])(C[5]C[5]CC)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|Pd<4>,1|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]N[5])(C[5]C[5]CC){1|Fe<10>,1|Pd<4>,1|H<1>,3|C<4>}	106.7650	0.174	2	106.5170	0.788	12	106.5487	0.856	38	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5a]N[5])(C[5]C[5]CC)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|Pd<4>,1|C<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5a]N[5])(C[5]C[5]CC){1|Pd<4>,1|C<3>,1|C<4>,1|H<1>,1|S<2>}	106.5745	0.398	2	106.5745	0.158	2	106.5487	0.856	38	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[6a]N[5])(C[5]C[5]CC)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|C<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[6a]N[5])(C[5]C[5]CC){1|C<4>,1|H<1>,2|C<3>}	106.3734	1.056	12	106.5447	1.081	22	106.5487	0.856	38	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[6a]N[5])(C[5]C[5]CC)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|Fe<5>,1|C<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[6a]N[5])(C[5]C[5]CC){1|Fe<5>,1|C<4>,1|H<1>,2|C<3>}	107.2985	0.743	2	106.5447	1.081	22	106.5487	0.856	38	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[6a]N[5])(C[5]C[5]CC)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|Os<6>,1|C<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[6a]N[5])(C[5]C[5]CC){1|Os<6>,1|C<4>,1|H<1>,2|C<3>}	106.3810	2.768	2	106.5447	1.081	22	106.5487	0.856	38	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[6a]N[5])(C[5]C[5]CC)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|Pd<4>,1|C<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[6a]N[5])(C[5]C[5]CC){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	106.6112	0.385	4	106.5447	1.081	22	106.5487	0.856	38	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[6a]N[5])(C[5]C[5]CC)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|Zn<4>,1|C<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[6a]N[5])(C[5]C[5]CC){1|Zn<4>,1|C<4>,1|H<1>,2|C<3>}	106.8495	0.176	2	106.5447	1.081	22	106.5487	0.856	38	107.3617	1.599	1219	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:2:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:	C[5](C[5]C[5]HH)(O[5]N[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(N[5]C[5])	C[5](C[5]C[5]HH)(O[5]N[5])(CH3)2{1|S<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(N[5]C[5]){1|S<4>,2|H<1>}	106.4532	0.151	4	106.4532	0.023	4	106.6778	0.269	5	106.6778	0.269	5	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:2:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(N[5]C[5])	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(CH3){1|C<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(N[5]C[5]){1|C<3>,2|H<1>}	107.5760	0.000	1	107.5760	0.000	1	106.6778	0.269	5	106.6778	0.269	5	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[4,5,5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[4,5,5]C[4,5,6]C[4,5]O[5])(O[5]C[5])(CH3)2	C(C[5]C[4,5,5]O[5]C)(H)3	O[5](C[5]C[4,5,5]CC)(C[5]C[4,5]O)	C[5](C[4,5,5]C[4,5,6]C[4,5]O[5])(O[5]C[5])(CH3)2{1|H<1>,1|O<1>,4|C<4>}	C(C[5]C[4,5,5]O[5]C)(H)3	O[5](C[5]C[4,5,5]CC)(C[5]C[4,5]O){1|O<2>,3|C<4>}	107.2305	0.527	2	107.2305	0.278	2	107.2305	0.278	2	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[4,5,6,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[4,5,6,6]C[4,5,6]C[4,6,6]O[6,6])(O[5]C[5])(CH3)2	C(C[5]C[4,5,6,6]O[5]C)(H)3	O[5](C[5]C[4,5,6,6]CC)(C[5]C[4,5,6]O)	C[5](C[4,5,6,6]C[4,5,6]C[4,6,6]O[6,6])(O[5]C[5])(CH3)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C(C[5]C[4,5,6,6]O[5]C)(H)3	O[5](C[5]C[4,5,6,6]CC)(C[5]C[4,5,6]O){1|C<3>,1|O<2>,2|C<4>}	107.9205	1.225	2	107.9205	1.502	2	107.9205	1.502	2	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CH3)2	C(C[5]C[5,5]O[5]C)(H)3	O[5](C[5]C[5,5]CC)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CH3)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C(C[5]C[5,5]O[5]C)(H)3	O[5](C[5]C[5,5]CC)(C[5]C[5,5]O){1|C<3>,1|C<4>,2|H<1>}	107.0890	0.253	2	107.0890	0.064	2	106.9467	1.096	10	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5]O)(O[5]C[5])(CH3)2	C(C[5]C[5,5]O[5]C)(H)3	O[5](C[5]C[5,5]CC)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]C[5]O)(O[5]C[5])(CH3)2{1|O<1>,2|C<4>,3|H<1>}	C(C[5]C[5,5]O[5]C)(H)3	O[5](C[5]C[5,5]CC)(C[5]C[5,5]O){1|H<1>,1|O<2>,2|C<4>}	107.6685	0.721	2	107.6685	0.519	2	106.9467	1.096	10	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CH3)2	C(C[5]C[5,5]O[5]C)(H)3	O[5](C[5]C[5,5]CC)(C[5]N[5]O)	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CH3)2{1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C(C[5]C[5,5]O[5]C)(H)3	O[5](C[5]C[5,5]CC)(C[5]N[5]O){3|C<4>}	107.3945	0.788	2	106.3642	1.969	4	106.9467	1.096	10	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CH3)2	C(C[5]C[5,5]O[5]C)(H)3	O[5](C[5]C[5,5]CC)(C[5]N[5]O)	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(CH3)2{1|O<1>,3|H<1>,4|C<3>}	C(C[5]C[5,5]O[5]C)(H)3	O[5](C[5]C[5,5]CC)(C[5]N[5]O){1|C<3>,2|C<4>}	105.3340	1.020	2	106.3642	1.969	4	106.9467	1.096	10	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5]N[5]O[5])(O[5]C[5])(CH3)2	C(C[5]C[5,5]O[5]C)(H)3	O[5](C[5]C[5,5]CC)(C[5]N[5]O)	C[5](C[5,5]C[5]N[5]O[5])(O[5]C[5])(CH3)2{1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5,5]O[5]C)(H)3	O[5](C[5]C[5,5]CC)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<2>}	107.2475	0.870	2	107.2475	0.758	2	106.9467	1.096	10	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:Br-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CBrHH)(CC3)	C(C[5]C[5]O[5]C)(Br)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CBrHH)(CC3){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]C)(Br)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]O){4|H<1>}	106.7120	0.000	1	106.7120	0.000	1	106.7120	0.000	1	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:Cl-1:Cl-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6]N[5]H)(O[5]C[5])(CCl2H)(CH3)	C(C[5]C[5]O[5]C)(Cl)2(H)	O[5](C[5]C[5]CC)(C[5]N[5]O)	C[5](C[5]C[6]N[5]H)(O[5]C[5])(CCl2H)(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[5]C[5]O[5]C)(Cl)2(H)	O[5](C[5]C[5]CC)(C[5]N[5]O){1|C<4>,2|H<1>}	104.5445	0.112	2	104.5445	0.013	2	104.5445	0.013	2	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:B[5]-3:	C[5](C[5]C[5]HH)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]C[5]N)	C[5](C[5]C[5]HH)(O[5]B[5])(CH3)2{1|C<3>,1|N<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]C[5]N){1|C<3>,2|H<1>}	107.8990	0.498	4	107.8990	0.248	4	107.5620	1.837	1023	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:B[5]-3:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]Al)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Al<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]Al){2|C<4>}	107.1663	1.039	4	107.1663	1.080	4	107.5620	1.837	1023	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:B[5]-3:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]B)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|B<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]B){2|C<4>}	107.5170	1.187	4	107.5170	1.409	4	107.5620	1.837	1023	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:B[5]-3:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]C)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<2>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]C){2|C<4>}	107.2856	0.815	16	107.5173	1.982	637	107.5620	1.837	1023	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:B[5]-3:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]C)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]C){2|C<4>}	107.5010	1.388	287	107.5173	1.982	637	107.5620	1.837	1023	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:B[5]-3:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]C)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]C){2|C<4>}	107.5457	1.450	328	107.5173	1.982	637	107.5620	1.837	1023	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:B[5]-3:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]C)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Co<5>,1|C<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]C){1|Co<5>,2|C<4>}	107.2275	1.783	2	107.5173	1.982	637	107.5620	1.837	1023	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:B[5]-3:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]C)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Li<5>,1|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]C){1|Li<5>,2|C<4>}	107.6250	2.083	2	107.5173	1.982	637	107.5620	1.837	1023	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:B[5]-3:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]C)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Mg<4>,1|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]C){1|Mg<4>,2|C<4>}	107.2300	1.674	2	107.5173	1.982	637	107.5620	1.837	1023	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:B[5]-3:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]Co)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Co<5>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]Co){2|C<4>}	108.0565	1.091	8	107.9167	0.880	14	107.5620	1.837	1023	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:B[5]-3:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]Co)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Co<6>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]Co){2|C<4>}	107.7303	0.740	6	107.9167	0.880	14	107.5620	1.837	1023	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:B[5]-3:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]Fe)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Fe<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]Fe){2|C<4>}	107.9285	2.030	4	107.7845	2.586	6	107.5620	1.837	1023	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:B[5]-3:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]Fe)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Fe<5>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]Fe){2|C<4>}	107.4965	0.568	2	107.7845	2.586	6	107.5620	1.837	1023	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:B[5]-3:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]Ge)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Ge<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]Ge){2|C<4>}	106.7054	1.820	8	106.7054	3.312	8	107.5620	1.837	1023	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:B[5]-3:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]Ir)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Ir<5>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]Ir){2|C<4>}	107.9368	1.126	12	107.9922	1.287	16	107.5620	1.837	1023	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:B[5]-3:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]Ir)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Ir<6>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]Ir){2|C<4>}	108.1582	1.318	4	107.9922	1.287	16	107.5620	1.837	1023	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:B[5]-3:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]Mg)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Mg<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]Mg){2|C<4>}	108.1308	1.284	8	108.1308	1.648	8	107.5620	1.837	1023	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:B[5]-3:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]N)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|N<2>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]N){2|C<4>}	107.8452	0.638	8	107.6404	1.569	139	107.5620	1.837	1023	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:B[5]-3:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]N)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|N<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]N){2|C<4>}	107.6279	1.281	131	107.6404	1.569	139	107.5620	1.837	1023	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:B[5]-3:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]O)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|O<2>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]O){2|C<4>}	107.7318	1.360	100	107.7251	1.764	108	107.5620	1.837	1023	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:B[5]-3:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]O)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|O<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]O){2|C<4>}	107.6418	0.888	8	107.7251	1.764	108	107.5620	1.837	1023	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:B[5]-3:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]Pd)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Pd<5>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]Pd){2|C<4>}	107.4377	1.110	8	107.4377	1.233	8	107.5620	1.837	1023	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:B[5]-3:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]Pt)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Pt<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]Pt){2|C<4>}	107.7119	1.597	12	107.7119	2.549	12	107.5620	1.837	1023	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:B[5]-3:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]Rh)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Rh<5>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]Rh){2|C<4>}	107.9585	1.024	4	107.5271	1.444	16	107.5620	1.837	1023	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:B[5]-3:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]Rh)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Rh<6>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]Rh){2|C<4>}	107.0097	1.579	4	107.5271	1.444	16	107.5620	1.837	1023	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:B[5]-3:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]Rh)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Rh<8>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]Rh){2|C<4>}	107.5701	1.147	8	107.5271	1.444	16	107.5620	1.837	1023	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:B[5]-3:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]Ru)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Ru<6>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]Ru){2|C<4>}	108.0263	0.630	4	108.0146	0.288	8	107.5620	1.837	1023	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:B[5]-3:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]Ru)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Ru<7>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]Ru){2|C<4>}	108.0030	0.524	4	108.0146	0.288	8	107.5620	1.837	1023	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:B[5]-3:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]S)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|S<2>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]S){2|C<4>}	107.5023	1.083	8	107.5023	1.174	8	107.5620	1.837	1023	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:B[5]-3:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]Se)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Se<2>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]Se){2|C<4>}	106.9060	1.382	4	106.9060	1.911	4	107.5620	1.837	1023	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:B[5]-3:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]Si)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Si<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(B[5]O[5]Si){2|C<4>}	106.9704	1.075	19	106.9704	1.156	19	107.5620	1.837	1023	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2{1|C<3>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O){1|C<3>,1|C<4>,2|H<1>}	107.0365	0.514	6	106.6231	0.581	27	106.8437	0.829	128	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2{1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O){2|C<4>,2|H<1>}	106.6646	0.826	9	106.6231	0.581	27	106.8437	0.829	128	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2{1|C<4>,1|O<1>,1|O<2>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O){1|H<1>,1|O<2>,2|C<4>}	106.2181	0.918	8	106.6231	0.581	27	106.8437	0.829	128	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2{1|O<1>,2|H<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O){1|C<3>,3|H<1>}	106.7630	0.078	2	106.6231	0.581	27	106.8437	0.829	128	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2{1|O<1>,2|H<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O){1|C<4>,3|H<1>}	106.6765	0.166	2	106.6231	0.581	27	106.8437	0.829	128	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CHHI)(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CHHI)(CH3){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O){1|C<4>,3|H<1>}	108.5420	0.000	1	108.5420	0.000	1	106.8437	0.829	128	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(CH3){1|C<4>,1|O<1>,1|O<2>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O){1|H<1>,1|O<2>,2|C<4>}	106.6170	0.000	1	106.6170	0.000	1	106.8437	0.829	128	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CO)(O[5]C[5])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]CO)(O[5]C[5])(CCHH)(CH3){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O){1|C<4>,1|O<2>,2|H<1>}	104.7340	0.000	1	104.7340	0.000	1	106.8437	0.829	128	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O){1|C<4>,3|H<1>}	107.3700	0.000	1	107.3700	0.000	1	106.8437	0.829	128	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)2{1|H<1>,1|N<3>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O){1|N<3>,3|H<1>}	105.9655	1.292	2	106.5697	0.600	6	106.8437	0.829	128	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)2{1|H<1>,1|O<1>,1|O<2>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O){1|O<2>,3|H<1>}	106.8718	0.282	4	106.5697	0.600	6	106.8437	0.829	128	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]C){1|C<4>,3|H<1>}	106.8300	0.000	1	106.8300	0.000	1	106.8437	0.829	128	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(CH3){1|H<1>,1|N<3>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O){1|N<3>,3|H<1>}	107.0650	0.000	1	107.1880	0.030	2	106.8437	0.829	128	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(CH3){1|H<1>,1|N<4>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O){1|N<4>,3|H<1>}	107.3110	0.000	1	107.1880	0.030	2	106.8437	0.829	128	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(CH3){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O){1|O<2>,3|H<1>}	107.4515	0.619	2	107.4515	0.383	2	106.8437	0.829	128	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)2{1|O<1>,2|H<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O){1|O<2>,3|H<1>}	107.0210	0.856	2	107.0210	0.732	2	106.8437	0.829	128	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]RuC)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]N)	C[5](C[5]C[5]RuC)(O[5]C[5])(CH3)2{1|H<1>,1|N<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]N){1|Ru<9>,1|C<4>,1|H<1>}	107.3630	0.819	2	107.3630	0.670	2	106.8437	0.829	128	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]RuC)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]RuC)(O[5]C[5])(CH3)2{1|H<1>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O){1|Ru<9>,1|C<4>,1|H<1>}	107.5705	1.554	2	107.5705	2.413	2	106.8437	0.829	128	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6]N[5]H)(O[5]C[5])(CCl2H)(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]N[5]O)	C[5](C[5]C[6]N[5]H)(O[5]C[5])(CCl2H)(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]N[5]O){1|C<4>,2|H<1>}	106.9935	0.388	2	106.9935	0.151	2	106.8437	0.829	128	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[5]HH)(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[5]HH)(CH3){1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O){1|C<3>,3|H<1>}	107.0590	0.000	1	107.0590	0.000	1	106.8437	0.829	128	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]N[5]O)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)2{1|O<1>,3|C<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]N[5]O){1|H<1>,2|C<3>}	107.0015	0.730	6	107.0015	0.533	6	106.8437	0.829	128	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]N[5]S)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)2{1|S<1>,3|C<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]N[5]S){1|H<1>,2|C<3>}	106.6795	0.375	2	106.6795	0.141	2	106.8437	0.829	128	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(CCHO)(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]N[5]O)	C[5](C[5]N[5]CH)(O[5]C[5])(CCHO)(CH3){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]N[5]O){1|H<1>,2|C<4>}	107.3480	0.000	1	107.3480	0.000	1	106.8437	0.829	128	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]N[5]B)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|B<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]N[5]B){1|C<4>,1|H<1>}	106.5860	0.673	6	106.5111	1.569	30	106.8437	0.829	128	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]N[5]B)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|Mn<6>,1|B<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]N[5]B){1|Mn<6>,1|C<4>,1|H<1>}	106.3342	1.137	6	106.5111	1.569	30	106.8437	0.829	128	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]N[5]B)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|Re<6>,1|B<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]N[5]B){1|Re<6>,1|C<4>,1|H<1>}	105.5863	1.848	6	106.5111	1.569	30	106.8437	0.829	128	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]N[5]B)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|Zn<4>,1|B<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]N[5]B){1|Zn<4>,1|C<4>,1|H<1>}	107.0244	1.008	12	106.5111	1.569	30	106.8437	0.829	128	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]N[5]O)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|C<3>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>}	107.0667	0.591	26	107.1042	0.346	30	106.8437	0.829	128	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]N[5]O)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|O<1>,1|P<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]N[5]O){1|C<4>,1|H<1>,1|P<4>}	107.3480	0.580	4	107.1042	0.346	30	106.8437	0.829	128	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]O[5]O)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(CH3){1|O<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]O[5]O){1|C<4>,1|H<1>}	105.6230	0.000	1	105.6230	0.000	1	106.8437	0.829	128	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]O[5]O)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(CH3){1|O<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]O[5]O){1|C<2>,1|H<1>}	107.4240	0.000	1	107.4240	0.000	1	106.8437	0.829	128	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]O[5]O)	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)2{1|O<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]O[5]O){1|C<4>,1|H<1>}	107.0600	0.082	2	107.0600	0.007	2	106.8437	0.829	128	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]O[5]CO)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]O[5]O)	C[5](C[5]O[5]CO)(O[5]C[5])(CH3)2{1|O<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]O[5]O){1|C<4>,1|O<2>}	107.7695	0.630	4	107.7695	0.397	4	106.8437	0.829	128	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:I-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CCCH)(CHHI)	C(C[5]C[5]O[5]C)(H)2(I)	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CCCH)(CHHI){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]C)(H)2(I)	O[5](C[5]C[5]CC)(C[5]C[5]O){1|C<4>,3|H<1>}	107.3410	0.000	1	107.3410	0.000	1	107.8690	0.558	2	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:I-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CHHI)(CH3)	C(C[5]C[5]O[5]C)(H)2(I)	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CHHI)(CH3){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]C)(H)2(I)	O[5](C[5]C[5]CC)(C[5]C[5]O){1|C<4>,3|H<1>}	108.3970	0.000	1	108.3970	0.000	1	107.8690	0.558	2	107.4729	1.775	1170	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:2:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CHHO)2	C(C[5]C[5]O[5]C)(OH)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(CHHO)2{2|C<3>}	C(C[5]C[5]O[5]C)(OH)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC){2|H<1>,3|C<3>}	107.2782	1.330	4	107.2782	1.770	4	107.2782	1.770	4	107.2782	1.770	4	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:2:1:1:	4:2:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-2:	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(CH3)	C(C[5]C[5]O[5]C)(OH)(H)2	O[5](C[5]C[5]CC)(N[5]C[5])	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(CH3){1|C<3>}	C(C[5]C[5]O[5]C)(OH)(H)2	O[5](C[5]C[5]CC)(N[5]C[5]){1|C<3>,2|H<1>}	106.3520	0.000	1	106.3520	0.000	1	106.3520	0.000	1	106.3520	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:2:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CC)(O[5]C[5])(CC[5]HH)(CHHO)	C(C[5]C[5]O[5]C)(OC)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]CC)(O[5]C[5])(CC[5]HH)(CHHO){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]C)(OC)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]O){1|C<3>,1|C<4>,2|H<1>}	104.7050	0.000	1	104.7050	0.000	1	106.0423	0.541	6	106.0423	0.541	6	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:2:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(CH3)	C(C[5]C[5]O[5]C)(OSi)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(CH3){1|C<4>,1|O<1>,1|O<2>}	C(C[5]C[5]O[5]C)(OSi)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]O){1|H<1>,1|O<2>,2|C<4>}	106.5110	0.000	1	106.5110	0.000	1	106.0423	0.541	6	106.0423	0.541	6	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:2:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(CH3)	C(C[5]C[5]O[5]C)(OC)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(CH3){1|H<1>,1|N<3>,1|O<1>}	C(C[5]C[5]O[5]C)(OC)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]O){1|N<3>,3|H<1>}	106.0730	0.000	1	106.0730	0.000	1	106.0423	0.541	6	106.0423	0.541	6	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:2:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(CH3)	C(C[5]C[5]O[5]C)(OH)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]C)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]O[5]C)(OH)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]C){1|C<4>,3|H<1>}	105.7670	0.000	1	105.7670	0.000	1	106.0423	0.541	6	106.0423	0.541	6	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:2:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(CH3)	C(C[5]C[5]O[5]C)(OH)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(CH3){1|H<1>,1|N<4>,1|O<1>}	C(C[5]C[5]O[5]C)(OH)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]O){1|N<4>,3|H<1>}	106.5640	0.000	1	106.5640	0.000	1	106.0423	0.541	6	106.0423	0.541	6	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:2:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(CHHO)	C(C[5]C[5]O[5]C)(OH)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(CHHO){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]C)(OH)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]O){1|C<4>,1|O<2>,2|H<1>}	106.6340	0.000	1	106.6340	0.000	1	106.0423	0.541	6	106.0423	0.541	6	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:3:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(CCH)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(CH3){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]C)(CCH)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]O){1|O<2>,3|H<1>}	106.5250	0.000	1	106.5250	0.000	1	107.9380	3.993	2	107.3003	3.216	3	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:3:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6]O[5]H)(O[5]C[5])(CCHH)(CC3)	C(C[5]C[5]O[5]C)(CCH)(H)2	O[5](C[5]C[5]CC)(C[5]O[5]O)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(CCHH)(CC3){1|C<3>,1|C<4>,1|O<1>}	C(C[5]C[5]O[5]C)(CCH)(H)2	O[5](C[5]C[5]CC)(C[5]O[5]O){1|C<3>,1|H<1>}	109.3510	0.000	1	109.3510	0.000	1	107.9380	3.993	2	107.3003	3.216	3	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:3:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CC)(O[5]C[5])(CC[5]HH)(CHHO)	C(C[5]C[5]O[5]C)(C[5]C[5]2)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]CC)(O[5]C[5])(CC[5]HH)(CHHO){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]C)(C[5]C[5]2)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]O){1|C<3>,1|C<4>,2|H<1>}	106.0250	0.000	1	106.0250	0.000	1	106.0250	0.000	1	107.3003	3.216	3	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:1:1:	3:4:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-3:C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(CCHH)(CH3)	C(C[5]C[5,5]O[5]C)(CCHH)(H)2	O[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]CC)	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(CCHH)(CH3){1|C<4>,2|H<1>,3|C<3>}	C(C[5]C[5,5]O[5]C)(CCHH)(H)2	O[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]CC){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	104.4810	0.000	1	104.8585	0.285	2	104.8585	0.285	2	108.0508	8.564	5	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:1:1:	3:4:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-3:C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(CCHH)(CH3)	C(C[5]C[5,5]O[5]C)(CCHH)(H)2	O[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]CC)	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(CCHH)(CH3){2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,5]O[5]C)(CCHH)(H)2	O[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]CC){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	105.2360	0.000	1	104.8585	0.285	2	104.8585	0.285	2	108.0508	8.564	5	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:1:1:	3:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(CCHH)(H)2	O[5](C[5,6]C[5,6]O[6])(C[5]C[5]CC)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHH)(CH3){1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[5]O[5]C)(CCHH)(H)2	O[5](C[5,6]C[5,6]O[6])(C[5]C[5]CC){2|C<4>,3|H<1>}	110.1790	0.000	3	110.1790	0.000	3	110.1790	0.000	3	108.0508	8.564	5	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HH)(CCHH)	C(C[5]C[5]O[5]C)(CCHH)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HH)(CCHH){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]C)(CCHH)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]O){1|C<4>,3|H<1>}	106.7350	0.000	1	106.7350	0.000	1	106.6022	6.633	5	106.6816	4.565	7	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CO)(O[5]C[5])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(CC[4]HO)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]CO)(O[5]C[5])(CCHH)(CH3){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]C)(CC[4]HO)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]O){1|C<4>,1|O<2>,2|H<1>}	103.4840	0.000	1	103.4840	0.000	1	106.6022	6.633	5	106.6816	4.565	7	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(CCHH)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(CH3){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]C)(CCHH)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]O){1|O<2>,3|H<1>}	104.8180	0.000	1	104.8180	0.000	1	106.6022	6.633	5	106.6816	4.565	7	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(CHHO)	C(C[5]C[5]O[5]C)(CHHO)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(CHHO){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]C)(CHHO)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]O){1|C<4>,1|O<2>,2|H<1>}	107.9300	0.000	1	107.9300	0.000	1	106.6022	6.633	5	106.6816	4.565	7	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(CC[6]CH)(H)2	O[5](C[5]C[5]CC)(C[5]O[5]O)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(CH3){1|O<1>}	C(C[5]C[5]O[5]C)(CC[6]CH)(H)2	O[5](C[5]C[5]CC)(C[5]O[5]O){1|C<4>,1|H<1>}	110.0440	0.000	1	110.0440	0.000	1	106.6022	6.633	5	106.6816	4.565	7	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HH)(CCHH)	C(C[5]C[5]O[5]C)(C[5]C[5]2O)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HH)(CCHH){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]C)(C[5]C[5]2O)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]O){1|C<4>,3|H<1>}	107.4900	0.000	1	107.4900	0.000	1	106.8800	0.744	2	106.6816	4.565	7	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[5]HH)(CH3)	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]C)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[5]HH)(CH3){1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]C)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]O){1|C<3>,3|H<1>}	106.2700	0.000	1	106.2700	0.000	1	106.8800	0.744	2	106.6816	4.565	7	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:2:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CCCO)(CCHO)	C(C[5]C[5]O[5]C)(CC[5,6]HO)(OC)(H)	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CCCO)(CCHO){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]C)(CC[5,6]HO)(OC)(H)	O[5](C[5]C[5]CC)(C[5]C[5]O){1|C<4>,3|H<1>}	107.8610	1.443	3	107.8610	2.083	3	106.8460	2.978	5	106.8460	2.978	5	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:2:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3)	C(C[5]C[5]O[5]C)(CCHH)(OC)(H)	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]C)(CCHH)(OC)(H)	O[5](C[5]C[5]CC)(C[5]C[5]O){1|C<4>,3|H<1>}	105.4200	0.000	1	105.4200	0.000	1	106.8460	2.978	5	106.8460	2.978	5	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:2:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(O[5]C[5])(CCHO)(CH3)	C(C[5]C[5]O[5]C)(CCHH)(OC)(H)	O[5](C[5]C[5]CC)(C[5]N[5]O)	C[5](C[5]N[5]CH)(O[5]C[5])(CCHO)(CH3){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]C)(CCHH)(OC)(H)	O[5](C[5]C[5]CC)(C[5]N[5]O){1|H<1>,2|C<4>}	105.2270	0.000	1	105.2270	0.000	1	106.8460	2.978	5	106.8460	2.978	5	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:3:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:N-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(CH3)	C(C[5]C[5]O[5]C)(CCHH)(NHS)(H)	O[5](C[5]C[5]CC)(C[5]O[5]O)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(CH3){1|O<1>}	C(C[5]C[5]O[5]C)(CCHH)(NHS)(H)	O[5](C[5]C[5]CC)(C[5]O[5]O){1|C<2>,1|H<1>}	107.9080	0.000	1	107.9080	0.000	1	107.9080	0.000	1	107.9080	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:4:1:	4:2:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-2:	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(CCCH)2	C(C[5]C[5,5]O[5]C)(CH3)2(H)	O[5](C[5]C[5,5]CC)(N[5]C[5,5])	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(CCCH)2{2|C<4>,2|H<1>}	C(C[5]C[5,5]O[5]C)(CH3)2(H)	O[5](C[5]C[5,5]CC)(N[5]C[5,5]){1|H<1>,2|C<4>}	106.3950	0.751	2	106.3950	0.564	2	106.3950	0.564	2	106.3950	0.564	2	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:4:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CCCH)(CHHI)	C(C[5]C[5]O[5]C)(CCHH)2(H)	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CCCH)(CHHI){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]C)(CCHH)2(H)	O[5](C[5]C[5]CC)(C[5]C[5]O){1|C<4>,3|H<1>}	105.5560	0.000	1	105.5560	0.000	1	105.5560	0.000	1	105.5560	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:4:2:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:C-4:C-2:	C[5]-4:C[5]-3:	C[5](C[5]C[6]O[5]H)(O[5]C[5])(CCHH)(CC3)	C(C[5]C[5]O[5]C)(CH3)2(CC)	O[5](C[5]C[5]CC)(C[5]O[5]O)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(CCHH)(CC3){1|C<3>,1|C<4>,1|O<1>}	C(C[5]C[5]O[5]C)(CH3)2(CC)	O[5](C[5]C[5]CC)(C[5]O[5]O){1|C<3>,1|H<1>}	106.7740	0.000	1	106.7740	0.000	1	106.7740	0.000	1	104.9718	1.596	4	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:4:2:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CCCO)(CCHO)	C(C[5]C[5]O[5]C)(CClHH)(CH3)(OH)	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CCCO)(CCHO){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]C)(CClHH)(CH3)(OH)	O[5](C[5]C[5]CC)(C[5]C[5]O){1|C<4>,3|H<1>}	104.4330	0.659	2	104.4330	0.434	2	104.3710	0.229	3	104.9718	1.596	4	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:4:2:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(O[5]C[5])(CCCO)(CCHO)	C(C[5]C[5]O[5]C)(CHHO)(CH3)(OH)	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CCCO)(CCHO){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]C)(CHHO)(CH3)(OH)	O[5](C[5]C[5]CC)(C[5]C[5]O){1|C<4>,3|H<1>}	104.2470	0.000	1	104.2470	0.000	1	104.3710	0.229	3	104.9718	1.596	4	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:4:4:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(O[5]C[5])(CBrHH)(CC3)	C(C[5]C[5]O[5]C)(CH3)3	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CBrHH)(CC3){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]C)(CH3)3	O[5](C[5]C[5]CC)(C[5]C[5]O){4|H<1>}	107.5810	0.000	1	107.5810	0.000	1	107.5810	0.000	1	107.5810	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:3:2:4:	3:4:3:1:	4:3:	C-4:C[5]-3:O[5]-2:C-4:	C[5a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-3:	C[5](CC[5a]C[6a]H)(C[5]C[5]H)(O[5]C[5])(CH3)	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]C)(C[6a]C[6a]2)(H)	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](CC[5a]C[6a]H)(C[5]C[5]H)(O[5]C[5])(CH3){1|H<1>,1|O<1>}	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]C)(C[6a]C[6a]2)(H)	O[5](C[5]C[5]CC)(C[5]C[5]O){2|H<1>}	109.2460	0.000	1	109.2460	0.000	1	109.2460	0.000	1	109.2460	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:3:2:4:	4:1:1:1:	3:4:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]C)(O[5]C[5,6a])(CH3)	C(C[5]C[5]2O[5])(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]C)(O[5]C[5,6a])(CH3){1|N<3>,1|O<1>,4|C<3>}	C(C[5]C[5]2O[5])(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C){2|H<1>,5|C<3>}	107.5960	0.000	1	107.5960	0.000	1	107.5960	0.000	1	106.8033	0.885	6	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:3:2:4:	4:1:1:1:	3:4:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5]2H)(C[5]N[5]O)(O[5]C[5])(CH3)	C(C[5]C[5]2O[5])(H)3	O[5](C[5]C[6a]N[5])(C[5]C[5]2C)	C[5](C[5]C[5]2H)(C[5]N[5]O)(O[5]C[5])(CH3){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5]2O[5])(H)3	O[5](C[5]C[6a]N[5])(C[5]C[5]2C){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	108.3220	0.000	1	108.3220	0.000	1	108.3220	0.000	1	106.8033	0.885	6	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:3:2:4:	4:1:1:1:	3:4:	C[5]-4:C[5a]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5a]C[5a]S[5a])(O[5]C[5,6a])(CH3)	C(C[5]C[5a]C[5]O[5])(H)3	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5a]C[5]C)	C[5](C[5]C[5,6a]C[6a]H)(C[5a]C[5a]S[5a])(O[5]C[5,6a])(CH3){1|H<1>,6|C<3>}	C(C[5]C[5a]C[5]O[5])(H)3	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5a]C[5]C){1|H<1>,1|S<2>,5|C<3>}	106.4440	0.000	1	106.4440	0.000	1	106.4440	0.000	1	106.8033	0.885	6	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:3:2:4:	4:1:1:1:	3:4:	C[5]-4:C[6a]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(C[6a]C[6a]2)(O[5]C[5,6a])(CH3)	C(C[5]C[6a]C[5]O[5])(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)	C[5](C[5]C[5,6a]HH)(C[6a]C[6a]2)(O[5]C[5,6a])(CH3){2|H<1>,4|C<3>}	C(C[5]C[6a]C[5]O[5])(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C){1|C<2>,2|H<1>,4|C<3>}	106.1470	0.000	1	106.0460	0.020	2	106.1527	0.044	3	106.8033	0.885	6	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:3:2:4:	4:1:1:1:	3:4:	C[5]-4:C[6a]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(C[6a]C[6a]2)(O[5]C[5,6a])(CH3)	C(C[5]C[6a]C[5]O[5])(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)	C[5](C[5]C[5,6a]HH)(C[6a]C[6a]2)(O[5]C[5,6a])(CH3){2|H<1>,4|C<3>}	C(C[5]C[6a]C[5]O[5])(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C){3|H<1>,4|C<3>}	105.9450	0.000	1	106.0460	0.020	2	106.1527	0.044	3	106.8033	0.885	6	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:3:2:4:	4:1:1:1:	3:4:	C[5]-4:C[6a]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HO)(C[6a]C[6a]2)(O[5]C[5,6a])(CH3)	C(C[5]C[6a]C[5]O[5])(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)	C[5](C[5]C[5,6a]HO)(C[6a]C[6a]2)(O[5]C[5,6a])(CH3){2|H<1>,4|C<3>}	C(C[5]C[6a]C[5]O[5])(H)3	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C){1|O<2>,2|H<1>,4|C<3>}	106.3660	0.000	1	106.3660	0.000	1	106.1527	0.044	3	106.8033	0.885	6	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:3:2:4:	4:1:1:1:	4:3:	C-4:C[5]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](CC[5a]C[6a]H)(C[5]C[5]H)(O[5]C[5])(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](CC[5a]C[6a]H)(C[5]C[5]H)(O[5]C[5])(CH3){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]O){2|H<1>}	107.1150	0.000	1	107.1150	0.000	1	107.1150	0.000	1	108.2009	0.740	15	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:3:2:4:	4:1:1:1:	4:3:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5]H)(O[5]C[5])(CH3)	C(C[5]C[5]2O[5])(H)3	O[5](C[5]C[5]2C)(C[5]C[5]O)	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5]H)(O[5]C[5])(CH3){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C(C[5]C[5]2O[5])(H)3	O[5](C[5]C[5]2C)(C[5]C[5]O){2|H<1>,3|C<3>}	108.1410	0.000	1	108.1410	0.000	1	107.9943	0.821	8	108.2009	0.740	15	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:3:2:4:	4:1:1:1:	4:3:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5]H)(O[5]C[5])(CH3)	C(C[5]C[5]2O[5])(H)3	O[5](C[5]C[5]2C)(C[5]C[5]O)	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5]H)(O[5]C[5])(CH3){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	C(C[5]C[5]2O[5])(H)3	O[5](C[5]C[5]2C)(C[5]C[5]O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	108.5390	0.000	1	108.5390	0.000	1	107.9943	0.821	8	108.2009	0.740	15	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:3:2:4:	4:1:1:1:	4:3:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5])(CH3)	C(C[5]C[5]2O[5])(H)3	O[5](C[5]C[5]2C)(C[5]C[5]O)	C[5](C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5])(CH3){1|C<3>,1|C<4>,2|O<1>,3|H<1>}	C(C[5]C[5]2O[5])(H)3	O[5](C[5]C[5]2C)(C[5]C[5]O){1|C<3>,1|C<4>,3|H<1>}	108.8870	0.000	1	107.6520	1.387	4	107.9943	0.821	8	108.2009	0.740	15	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:3:2:4:	4:1:1:1:	4:3:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5])(CH3)	C(C[5]C[5]2O[5])(H)3	O[5](C[5]C[5]2C)(C[5]C[5]O)	C[5](C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5])(CH3){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C(C[5]C[5]2O[5])(H)3	O[5](C[5]C[5]2C)(C[5]C[5]O){2|C<4>,3|H<1>}	107.2403	1.031	3	107.6520	1.387	4	107.9943	0.821	8	108.2009	0.740	15	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:3:2:4:	4:1:1:1:	4:3:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N[5]H)(C[5]C[5]C)(O[5]C[5])(CH3)	C(C[5]C[5]2O[5])(H)3	O[5](C[5]C[5]2C)(C[5]C[5]O)	C[5](C[5]C[5]N[5]H)(C[5]C[5]C)(O[5]C[5])(CH3){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[5]C[5]2O[5])(H)3	O[5](C[5]C[5]2C)(C[5]C[5]O){1|N<3>,2|C<4>,2|H<1>}	107.7990	0.000	1	107.7990	0.000	1	107.9943	0.821	8	108.2009	0.740	15	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:3:2:4:	4:1:1:1:	4:3:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(CH3)	C(C[5]C[5]2O[5])(H)3	O[5](C[5]C[5]2C)(C[5]C[5]O)	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(CH3){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C(C[5]C[5]2O[5])(H)3	O[5](C[5]C[5]2C)(C[5]C[5]O){1|N<3>,2|C<4>,2|H<1>}	108.8670	0.000	1	108.8670	0.000	1	107.9943	0.821	8	108.2009	0.740	15	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:3:2:4:	4:1:1:1:	4:3:	C[6]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[6]C[6,6a]C[6]H)(C[5]C[5]H)(O[5]C[5])(CH3)	C(C[5]C[5]C[6]O[5])(H)3	O[5](C[5]C[5]C[6]C)(C[5]C[5]O)	C[5](C[6]C[6,6a]C[6]H)(C[5]C[5]H)(O[5]C[5])(CH3){1|C<2>,1|H<1>,1|O<1>,3|C<3>}	C(C[5]C[5]C[6]O[5])(H)3	O[5](C[5]C[5]C[6]C)(C[5]C[5]O){2|C<3>,3|H<1>}	108.2585	0.911	2	108.2585	0.831	2	108.6575	0.369	6	108.2009	0.740	15	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:3:2:4:	4:1:1:1:	4:3:	C[6]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[6]C[6]O[6]H)(C[5]C[5]H)(O[5]C[5])(CH3)	C(C[5]C[5]C[6]O[5])(H)3	O[5](C[5]C[5]C[6]C)(C[5]C[5]O)	C[5](C[6]C[6]O[6]H)(C[5]C[5]H)(O[5]C[5])(CH3){1|O<1>,2|C<3>,3|H<1>}	C(C[5]C[5]C[6]O[5])(H)3	O[5](C[5]C[5]C[6]C)(C[5]C[5]O){1|C<4>,1|O<2>,3|H<1>}	108.8570	0.423	4	108.8570	0.179	4	108.6575	0.369	6	108.2009	0.740	15	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:3:2:4:	4:4:1:1:	3:4:	C[5]-4:C[6a]-3:O[5]-2:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]HO)(C[6a]C[6a]2)(O[5]C[5,6a])(CCHH)	C(C[5]C[6a]C[5]O[5])(CCHH)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)	C[5](C[5]C[5,6a]HO)(C[6a]C[6a]2)(O[5]C[5,6a])(CCHH){2|H<1>,4|C<3>}	C(C[5]C[6a]C[5]O[5])(CCHH)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C){1|O<2>,2|H<1>,4|C<3>}	106.2240	0.000	1	106.2240	0.000	1	106.2240	0.000	1	106.2240	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:3:2:4:	4:4:1:1:	4:3:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(CCHH)	C(C[5]C[5]2O[5])(CCHH)(H)2	O[5](C[5]C[5]2C)(C[5]C[5]O)	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(CCHH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C(C[5]C[5]2O[5])(CCHH)(H)2	O[5](C[5]C[5]2C)(C[5]C[5]O){1|N<3>,2|C<4>,2|H<1>}	109.0845	1.808	2	109.0845	3.269	2	109.0845	3.269	2	109.0845	3.269	2	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:3:2:4:	4:4:2:1:	4:3:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(CCHO)	C(C[5]C[5]2O[5])(CCHH)(OC)(H)	O[5](C[5]C[5]2C)(C[5]C[5]O)	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(CCHO){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C(C[5]C[5]2O[5])(CCHH)(OC)(H)	O[5](C[5]C[5]2C)(C[5]C[5]O){1|N<3>,2|C<4>,3|H<1>}	105.1840	0.000	1	105.1840	0.000	1	105.1840	0.000	1	105.1840	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:3:2:4:	4:4:3:1:	4:3:	C[5]-4:C[6a]-3:O[5]-2:C-4:	C[5]-4:C-4:C-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]N[5]O)(C[6a]C[6a]2)(O[5]C[5])(CCCH)	C(C[5]C[6a]C[5]O[5])(CH3)(CCH)(H)	O[5](C[5]C[6a]C[5]C)(C[5]N[5]O)	C[5](C[5]C[6a]N[5]O)(C[6a]C[6a]2)(O[5]C[5])(CCCH){1|O<1>,2|H<1>,5|C<3>}	C(C[5]C[6a]C[5]O[5])(CH3)(CCH)(H)	O[5](C[5]C[6a]C[5]C)(C[5]N[5]O){1|O<2>,4|C<3>}	106.6640	0.000	1	106.6640	0.000	1	106.6640	0.000	1	106.6640	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:3:4:2:	4:3:1:1:	4:3:	C[6]-4:C[5]-3:C-4:O[5]-2:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[6]C[6,6a]N[6]H)(C[5]N[5]O)(CC[6a]HH)(O[5]C[5])	C(C[5]C[5]C[6]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5]C[5]C[6]C)(C[5]C[6a]N[5])	C[5](C[6]C[6,6a]N[6]H)(C[5]N[5]O)(CC[6a]HH)(O[5]C[5]){1|C<4>,4|C<3>}	C(C[5]C[5]C[6]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5]C[5]C[6]C)(C[5]C[6a]N[5]){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	108.7790	0.000	1	108.7790	0.000	1	108.7790	0.000	1	108.7790	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:4:2:1:	3:4:1:1:	4:2:	C[5]-4:C-4:O[5]-2:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-2:	C[5](C[5]C[5]CC)(CC[6a]HH)(O[5]N[5])(H)	C(C[6a]C[6a,6a]N[6a])(C[5]C[5]O[5]H)(H)2	O[5](C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]CC)(CC[6a]HH)(O[5]N[5])(H){1|C<3>}	C(C[6a]C[6a,6a]N[6a])(C[5]C[5]O[5]H)(H)2	O[5](C[5]C[5]CH)(N[5]C[5]){1|C<3>,2|C<4>}	108.7815	1.344	2	108.7815	1.807	2	108.7815	1.807	2	108.8234	0.489	5	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:4:2:1:	3:4:1:1:	4:2:	C[5]-4:C-4:O[5]-2:H-1:	N[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-2:	C[5](C[5]C[5]HH)(CN[5a]HH)(O[5]N[5])(H)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	O[5](C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]HH)(CN[5a]HH)(O[5]N[5])(H){1|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	O[5](C[5]C[5]CH)(N[5]C[5]){1|C<3>,2|H<1>}	108.7445	0.271	2	108.7445	0.073	2	108.8513	0.071	3	108.8234	0.489	5	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:4:2:1:	3:4:1:1:	4:2:	C[5]-4:C-4:O[5]-2:H-1:	N[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-2:	C[5](C[5]C[5]HH)(CN[5a]HH)(O[5]N[5])(H)	C(N[5a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(H)2	O[5](C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]HH)(CN[5a]HH)(O[5]N[5])(H){1|C<3>}	C(N[5a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(H)2	O[5](C[5]C[5]CH)(N[5]C[5]){1|C<3>,2|H<1>}	109.0650	0.000	1	109.0650	0.000	1	108.8513	0.071	3	108.8234	0.489	5	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:4:2:1:	3:4:1:1:	4:3:	C[3,5]-4:C-4:O[5]-2:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[3,5]N[3,5]C[3]H)(CC[6a]HH)(O[5]C[5])(H)	C(C[6a]C[6a,6a]C[6a])(C[5]C[3,5]O[5]H)(H)2	O[5](C[5]C[3,5]CH)(C[5]N[3,5]O)	C[5](C[3,5]N[3,5]C[3]H)(CC[6a]HH)(O[5]C[5])(H){1|C<3>,1|O<1>}	C(C[6a]C[6a,6a]C[6a])(C[5]C[3,5]O[5]H)(H)2	O[5](C[5]C[3,5]CH)(C[5]N[3,5]O){1|C<3>,1|H<1>}	110.2240	0.000	1	110.2240	0.000	1	110.2240	0.000	1	110.2240	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:4:2:1:	4:3:1:1:	4:3:	C[5,5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5]N[5]2)(CC[6a]HH)(O[5]C[5])(H)	C(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)(H)2	O[5](C[5]C[5,5]CH)(C[5]N[5]O)	C[5](C[5,5]C[5]N[5]2)(CC[6a]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)(H)2	O[5](C[5]C[5,5]CH)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>}	107.7965	1.266	2	107.7965	1.604	2	107.7965	1.604	2	108.5472	0.575	11	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:4:2:1:	4:3:1:1:	4:3:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:Br-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(CC[6a]BrH)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(Br)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(CC[6a]BrH)(O[5]C[5])(H){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(Br)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){4|H<1>}	108.4350	0.379	2	108.4350	0.144	2	108.4350	0.144	2	108.5472	0.575	11	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:4:2:1:	4:3:1:1:	4:3:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(H){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,2|H<1>}	108.2410	0.000	1	108.7970	0.618	2	108.6566	0.298	5	108.5472	0.575	11	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:4:2:1:	4:3:1:1:	4:3:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O){1|N<3>,3|H<1>}	109.3530	0.000	1	108.7970	0.618	2	108.6566	0.298	5	108.5472	0.575	11	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:4:2:1:	4:3:1:1:	4:3:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HO)(CC[6a]HH)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HO)(CC[6a]HH)(O[5]C[5])(H){1|Cl<1>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O){1|Cl<1>,1|O<2>,2|H<1>}	108.3130	0.000	1	108.5630	0.254	3	108.6566	0.298	5	108.5472	0.575	11	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:4:2:1:	4:3:1:1:	4:3:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HO)(CC[6a]HH)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HO)(CC[6a]HH)(O[5]C[5])(H){1|O<1>,2|C<4>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]O){1|H<1>,1|O<2>,2|C<4>}	108.6880	0.643	2	108.5630	0.254	3	108.6566	0.298	5	108.5472	0.575	11	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:4:2:1:	4:3:1:1:	4:3:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:H-1:I-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(CC[6a]HI)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)(I)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(CC[6a]HI)(O[5]C[5])(H){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)(I)	O[5](C[5]C[5]CH)(C[5]C[5]O){4|H<1>}	109.1365	0.952	2	109.1365	0.907	2	109.1365	0.907	2	108.5472	0.575	11	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:4:2:1:	4:3:2:1:	3:4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:N-2:H-1:	C[5]-3:C[5]-4:	C[5](C[5]C[5]HH)(CC[6a]HN)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NN)(H)	O[5](C[5]C[6a]C[5])(C[5]C[5]CH)	C[5](C[5]C[5]HH)(CC[6a]HN)(O[5]C[5])(H){1|C<3>,1|P<4>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NN)(H)	O[5](C[5]C[6a]C[5])(C[5]C[5]CH){1|P<4>,2|C<3>,2|H<1>}	108.4550	1.399	2	108.4550	1.956	2	108.4550	1.956	2	108.4550	1.956	2	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:4:2:1:	4:3:2:1:	4:3:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]CH)(CC[6a]HO)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(CC[6a]HO)(O[5]C[5])(H){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,3|H<1>}	108.4860	0.351	2	108.4860	0.123	2	108.2257	0.991	6	108.2257	0.991	6	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:4:2:1:	4:3:2:1:	4:3:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5]H)(CC[6a]HO)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[6a]C[5]H)(CC[6a]HO)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,3|H<1>}	107.1435	0.069	2	107.1435	0.005	2	108.2257	0.991	6	108.2257	0.991	6	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:4:2:1:	4:3:2:1:	4:3:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(CC[6a]HO)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]HH)(CC[6a]HO)(O[5]C[5])(H){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<3>,2|H<1>}	109.7550	0.000	1	109.7550	0.000	1	108.2257	0.991	6	108.2257	0.991	6	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:4:2:1:	4:3:2:1:	4:3:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[5]O[5]HH)(CC[6a]HO)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]O)	C[5](C[5]O[5]HH)(CC[6a]HO)(O[5]C[5])(H){1|O<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]O){2|H<1>}	108.3400	0.000	1	108.3400	0.000	1	108.2257	0.991	6	108.2257	0.991	6	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:4:2:1:	4:3:3:1:	4:3:	C[5,5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[5a]-3:C-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(CC[5a]CH)(O[5]C[5])(H)	C(C[5]C[5,5]O[5]H)(C[5a]C[5a]O[5a])(CCC)(H)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]C[5]H)(CC[5a]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,2|N<2>}	C(C[5]C[5,5]O[5]H)(C[5a]C[5a]O[5a])(CCC)(H)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]O){1|H<1>,1|N<2>,2|C<4>}	109.7220	0.000	1	109.7220	0.000	1	109.7220	0.000	1	109.1377	1.122	3	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:4:2:1:	4:3:3:1:	4:3:	C[5,5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5,5]N[5,5]C[5]H)(CC[6a]2H)(O[5]C[5])(H)	C(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)2(H)	O[5](C[5]C[5,5]CH)(C[5]N[5,5]O)	C[5](C[5,5]N[5,5]C[5]H)(CC[6a]2H)(O[5]C[5])(H){1|O<1>,2|C<4>,2|H<1>}	C(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)2(H)	O[5](C[5]C[5,5]CH)(C[5]N[5,5]O){1|H<1>,2|C<4>}	107.9150	0.000	1	107.9150	0.000	1	107.9150	0.000	1	109.1377	1.122	3	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:4:2:1:	4:3:3:1:	4:3:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:N-3:H-1:	C[5]-4:C[5]-3:	C[5](C[5]O[5]CC)(CC[6a]HN)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NCC)(H)	O[5](C[5]C[5]CH)(C[5]O[5]O)	C[5](C[5]O[5]CC)(CC[6a]HN)(O[5]C[5])(H){1|O<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NCC)(H)	O[5](C[5]C[5]CH)(C[5]O[5]O){2|C<4>}	109.7760	0.000	1	109.7760	0.000	1	109.7760	0.000	1	109.1377	1.122	3	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:4:2:1:	4:3:3:2:	4:3:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:B[5]-3:	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]B[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OC)	O[5](C[5]C[5]CH)(B[5]O[5]C)	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]B[5])(H){1|C<4>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OC)	O[5](C[5]C[5]CH)(B[5]O[5]C){1|C<4>,1|H<1>}	109.8818	0.449	6	109.8818	0.202	6	109.8818	0.202	6	109.8818	0.202	6	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:4:2:1:	4:3:4:1:	4:3:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(CC[6a]CH)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCHO)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(CC[6a]CH)(O[5]C[5])(H){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCHO)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){4|H<1>}	107.8960	0.000	1	107.8960	0.000	1	109.2386	1.902	5	109.2386	1.902	5	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:4:2:1:	4:3:4:1:	4:3:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(CC[6a]CH)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CH3)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(CC[6a]CH)(O[5]C[5])(H){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CH3)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){1|C<3>,2|H<1>}	109.6120	0.000	1	109.6120	0.000	1	109.2386	1.902	5	109.2386	1.902	5	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:4:2:1:	4:3:4:1:	4:3:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HO)(CC[6a]CH)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHHN)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HO)(CC[6a]CH)(O[5]C[5])(H){1|H<1>,1|O<1>,1|O<2>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHHN)(H)	O[5](C[5]C[5]CH)(C[5]C[5]O){2|H<1>,2|O<2>}	109.6340	0.000	1	109.6340	0.000	1	109.2386	1.902	5	109.2386	1.902	5	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:4:2:1:	4:3:4:1:	4:3:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]CH)(CC[6a]CH)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHHO)(H)	O[5](C[5]C[5]CH)(C[5]N[5]O)	C[5](C[5]N[5]CH)(CC[6a]CH)(O[5]C[5])(H){1|O<1>,1|S<4>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHHO)(H)	O[5](C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|H<1>,1|S<4>}	109.5255	2.312	2	109.5255	5.343	2	109.2386	1.902	5	109.2386	1.902	5	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:4:2:3:	4:3:1:1:	4:2:	C[5,5]-4:C-4:O[5]-2:C-3:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-2:	C[5](C[5,5]C[5]2O[5])(CC[6a]HH)(O[5]N[5])(COO)	C(C[5]C[5,5]O[5]C)(C[6a]C[6a]2)(H)2	O[5](C[5]C[5,5]CC)(N[5]C[5])	C[5](C[5,5]C[5]2O[5])(CC[6a]HH)(O[5]N[5])(COO){1|N<2>,2|C<3>,2|H<1>}	C(C[5]C[5,5]O[5]C)(C[6a]C[6a]2)(H)2	O[5](C[5]C[5,5]CC)(N[5]C[5]){1|C<3>,1|C<4>,1|O<2>}	108.2310	0.000	1	108.2310	0.000	1	108.2310	0.000	1	108.2310	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:4:2:3:	4:3:1:1:	4:3:	C[5]-4:C-4:O[5]-2:C-3:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(CNO)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]O)	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(CNO){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]O){4|H<1>}	108.8960	0.000	1	108.8960	0.000	1	108.8960	0.000	1	108.8960	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:4:2:3:	4:3:3:1:	4:2:	C-4:C[5]-4:O[5]-2:C-3:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:N[5]-2:	C[5](CC[6a]C[5]H)(C[5]C[5]HH)(O[5]N[5])(COO)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]2)(H)	O[5](C[5]C[5]CC)(N[5]C[5])	C[5](CC[6a]C[5]H)(C[5]C[5]HH)(O[5]N[5])(COO){1|C<3>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]2)(H)	O[5](C[5]C[5]CC)(N[5]C[5]){1|C<3>,2|H<1>}	110.3290	0.000	1	110.3290	0.000	1	110.3290	0.000	1	110.3290	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:4:2:4:	4:1:1:1:	3:4:	C[3]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:	C[5](C[3]C[3,6]O[3]H)(C[5]C[5,6]HH)(O[5]C[5,6])(CH3)	C(C[5]C[3]C[5]O[5])(H)3	O[5](C[5,6]C[5,6]C[6])(C[5]C[3]C[5]C)	C[5](C[3]C[3,6]O[3]H)(C[5]C[5,6]HH)(O[5]C[5,6])(CH3){2|C<4>,3|C<3>}	C(C[5]C[3]C[5]O[5])(H)3	O[5](C[5,6]C[5,6]C[6])(C[5]C[3]C[5]C){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	105.9560	0.000	1	105.9560	0.000	1	105.9560	0.000	1	105.9560	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:4:2:4:	4:1:1:1:	4:2:	C[5]-4:C[6]-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:	C[5](C[5]C[5]HH)(C[6]C[6]2H)(O[5]N[5])(CH3)	C(C[5]C[5]C[6]O[5])(H)3	O[5](C[5]C[5]C[6]C)(N[5]C[5])	C[5](C[5]C[5]HH)(C[6]C[6]2H)(O[5]N[5])(CH3){3|C<3>,4|H<1>}	C(C[5]C[5]C[6]O[5])(H)3	O[5](C[5]C[5]C[6]C)(N[5]C[5]){1|C<3>,2|C<4>,3|H<1>}	106.6940	0.000	1	106.6940	0.000	1	106.6940	0.000	1	106.6940	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:4:2:4:	4:1:1:1:	4:3:	C[4]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[4]C[4]2H)(C[5]C[5]HH)(O[5]C[5])(CH3)	C(C[5]C[4]C[5]O[5])(H)3	O[5](C[5]C[4]C[5]C)(C[5]C[5]O)	C[5](C[4]C[4]2H)(C[5]C[5]HH)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C(C[5]C[4]C[5]O[5])(H)3	O[5](C[5]C[4]C[5]C)(C[5]C[5]O){2|C<4>,5|H<1>}	107.0890	0.000	1	107.0890	0.000	1	107.0890	0.000	1	107.4042	0.585	12	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:4:2:4:	4:1:1:1:	4:3:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	C(C[5]C[5]2O[5])(H)3	O[5](C[5]C[5]2C)(C[5]C[5]O)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3){1|O<1>,3|C<4>,5|H<1>}	C(C[5]C[5]2O[5])(H)3	O[5](C[5]C[5]2C)(C[5]C[5]O){2|C<4>,5|H<1>}	106.2695	0.339	2	107.2140	1.231	4	107.4284	0.832	8	107.4042	0.585	12	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:4:2:4:	4:1:1:1:	4:3:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	C(C[5]C[5]2O[5])(H)3	O[5](C[5]C[5]2C)(C[5]C[5]O)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3){1|O<1>,4|C<4>,4|H<1>}	C(C[5]C[5]2O[5])(H)3	O[5](C[5]C[5]2C)(C[5]C[5]O){2|C<4>,5|H<1>}	108.1585	0.107	2	107.2140	1.231	4	107.4284	0.832	8	107.4042	0.585	12	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:4:2:4:	4:1:1:1:	4:3:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5,6]O[5]H)(C[5]O[5]CH)(O[5]C[5])(CH3)	C(C[5]C[5]2O[5])(H)3	O[5](C[5]C[5]2C)(C[5]O[5]O)	C[5](C[5]C[5,6]O[5]H)(C[5]O[5]CH)(O[5]C[5])(CH3){1|H<1>,1|O<1>,3|C<4>}	C(C[5]C[5]2O[5])(H)3	O[5](C[5]C[5]2C)(C[5]O[5]O){1|O<2>,2|C<4>,2|H<1>}	107.4310	0.000	1	107.4310	0.000	1	107.4284	0.832	8	107.4042	0.585	12	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:4:2:4:	4:1:1:1:	4:3:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]2Fe)(C[5]C[5]HH)(O[5]C[5])(CH3)	C(C[5]C[5]2O[5])(H)3	O[5](C[5]C[5]2C)(C[5]C[5]O)	C[5](C[5]C[5]2Fe)(C[5]C[5]HH)(O[5]C[5])(CH3){1|O<1>,2|C<4>,4|H<1>}	C(C[5]C[5]2O[5])(H)3	O[5](C[5]C[5]2C)(C[5]C[5]O){1|Fe<10>,2|C<4>,4|H<1>}	106.6480	0.000	1	106.6480	0.000	1	107.4284	0.832	8	107.4042	0.585	12	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:4:2:4:	4:1:1:1:	4:3:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	C(C[5]C[5]2O[5])(H)3	O[5](C[5]C[5]2C)(C[5]C[5]O)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3){1|O<1>,2|C<4>,4|H<1>}	C(C[5]C[5]2O[5])(H)3	O[5](C[5]C[5]2C)(C[5]C[5]O){1|C<4>,1|O<2>,5|H<1>}	108.2460	0.000	2	108.2460	0.000	2	107.4284	0.832	8	107.4042	0.585	12	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:4:2:4:	4:1:1:1:	4:3:	C[5]-4:C[6]-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]O[5]HH)(C[6]C[6]2H)(O[5]C[5])(CH3)	C(C[5]C[5]C[6]O[5])(H)3	O[5](C[5]C[5]C[6]C)(C[5]O[5]O)	C[5](C[5]O[5]HH)(C[6]C[6]2H)(O[5]C[5])(CH3){1|O<1>,2|C<3>,4|H<1>}	C(C[5]C[5]C[6]O[5])(H)3	O[5](C[5]C[5]C[6]C)(C[5]O[5]O){2|C<4>,3|H<1>}	107.5890	0.000	1	107.2380	0.246	2	107.2380	0.246	2	107.4042	0.585	12	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:4:2:4:	4:1:1:1:	4:3:	C[5]-4:C[6]-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]O[5]HH)(C[6]C[6]2H)(O[5]C[5])(CH3)	C(C[5]C[5]C[6]O[5])(H)3	O[5](C[5]C[5]C[6]C)(C[5]O[5]O)	C[5](C[5]O[5]HH)(C[6]C[6]2H)(O[5]C[5])(CH3){1|O<1>,2|C<4>,4|H<1>}	C(C[5]C[5]C[6]O[5])(H)3	O[5](C[5]C[5]C[6]C)(C[5]O[5]O){2|C<4>,3|H<1>}	106.8870	0.000	1	107.2380	0.246	2	107.2380	0.246	2	107.4042	0.585	12	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:4:2:4:	4:1:1:1:	4:3:	C[6]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[6]C[6]O[6]H)(C[5]O[5]HH)(O[5]C[5])(CH3)	C(C[5]C[5]C[6]O[5])(H)3	O[5](C[5]C[5]C[6]C)(C[5]O[5]O)	C[5](C[6]C[6]O[6]H)(C[5]O[5]HH)(O[5]C[5])(CH3){1|O<1>,2|C<4>,2|H<1>}	C(C[5]C[5]C[6]O[5])(H)3	O[5](C[5]C[5]C[6]C)(C[5]O[5]O){1|C<4>,1|O<2>,3|H<1>}	107.8580	0.000	1	107.8580	0.000	1	107.8580	0.000	1	107.4042	0.585	12	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:4:2:4:	4:2:1:1:	3:4:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:O-2:H-1:H-1:	C[5,6a]-3:C[5]-4:	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5,6a]HO)(O[5]C[5,6a])(CHHO)	C(C[5]C[5]2O[5])(OH)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5,6a]HO)(O[5]C[5,6a])(CHHO){1|N<3>,1|O<1>,4|C<3>}	C(C[5]C[5]2O[5])(OH)(H)2	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2C){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	105.5690	0.000	1	105.5690	0.000	1	105.5690	0.000	1	105.5690	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:4:2:4:	4:2:1:1:	4:3:	C[4]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[4]C[4]2H)(C[5]C[5]HH)(O[5]C[5])(CHHO)	C(C[5]C[4]C[5]O[5])(OC)(H)2	O[5](C[5]C[4]C[5]C)(C[5]C[5]O)	C[5](C[4]C[4]2H)(C[5]C[5]HH)(O[5]C[5])(CHHO){1|O<1>,2|C<4>,5|H<1>}	C(C[5]C[4]C[5]O[5])(OC)(H)2	O[5](C[5]C[4]C[5]C)(C[5]C[5]O){2|C<4>,5|H<1>}	106.5070	0.625	4	106.5070	0.391	4	106.5070	0.391	4	106.2928	0.523	5	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:4:2:4:	4:2:1:1:	4:3:	C[5]-4:C[6]-4:O[5]-2:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(C[6]C[6]2H)(O[5]C[5])(CHHO)	C(C[5]C[5]C[6]O[5])(OH)(H)2	O[5](C[5]C[5]C[6]C)(C[5]N[5]O)	C[5](C[5]N[5]HH)(C[6]C[6]2H)(O[5]C[5])(CHHO){1|O<1>,1|S<4>,2|C<4>,4|H<1>}	C(C[5]C[5]C[6]O[5])(OH)(H)2	O[5](C[5]C[5]C[6]C)(C[5]N[5]O){1|S<4>,2|C<4>,3|H<1>}	105.4360	0.000	1	105.4360	0.000	1	105.4360	0.000	1	106.2928	0.523	5	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:4:2:4:	4:4:1:1:	4:3:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(O[5]C[5])(CCHH)	C(C[5]C[5]2O[5])(CCHH)(H)2	O[5](C[5]C[5]2C)(C[5]C[5]O)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(O[5]C[5])(CCHH){1|O<1>,3|H<1>,4|C<4>}	C(C[5]C[5]2O[5])(CCHH)(H)2	O[5](C[5]C[5]2C)(C[5]C[5]O){1|N<3>,2|C<4>,4|H<1>}	104.6750	0.000	1	104.6750	0.000	1	104.6750	0.000	1	104.6750	0.000	1	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP2_SP3	C[5]	C	O[5]	4:4:2:4:	4:4:2:1:	4:3:	C[3]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:	C[5](C[3]C[3]O[3]C)(C[5]C[5]CH)(O[5]C[5])(CCHO)	C(C[5]C[3]C[5]O[5])(CC[5,6]HO)(OC)(H)	O[5](C[5]C[3]C[5]C)(C[5]C[5]O)	C[5](C[3]C[3]O[3]C)(C[5]C[5]CH)(O[5]C[5])(CCHO){1|O<1>,4|H<1>}	C(C[5]C[3]C[5]O[5])(CC[5,6]HO)(OC)(H)	O[5](C[5]C[3]C[5]C)(C[5]C[5]O){1|O<2>,3|C<4>,3|H<1>}	107.6815	0.325	2	107.6815	0.105	2	107.6815	0.105	2	107.6815	0.105	2	107.6969	2.103	3596	107.6767	2.138	3775
474	490	976	0:SP3_SP3_SP3	C[3x5,6]	C	O[5,5]	4:4:2:4:	4:1:1:1:	4:4:	C[3x5,6,6]-4:C[4,5,5,6]-4:O[5,5]-2:C-4:	C[3x5,6]-4:F-1:F-1:F-1:	C[3x5,6]-4:C[3x5,6]-4:	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(CF3)	C(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O[5,5])(F)3	O[5,5](C[3x5,6]C[3x5,6,6]C[4,5,5,6]C)(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O)	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(CF3){1|O<2>,3|C<4>,4|H<1>}	C(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O[5,5])(F)3	O[5,5](C[3x5,6]C[3x5,6,6]C[4,5,5,6]C)(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O){4|C<4>,4|H<1>}	109.3180	0.000	1	109.3180	0.000	1	109.3180	0.000	1	109.3180	0.000	1	109.7326	0.225	5	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[3x5,6]	C	O[5,5]	4:4:2:4:	4:2:1:1:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O[5,5]-2:C-4:	C[3x5,6]-4:O-2:H-1:H-1:	C[5,5,6,6]-4:C[3x5,6]-4:	C[3x5,6](C[5,5,6]C[5,6,6]C[5]C)(C[5,5,6]O[5,6]C[5]H)(O[5,5]C[5,5,6,6])(CHHO)	C(C[3x5,6]C[5,5,6]2O[5,5])(OH)(H)2	O[5,5](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[3x5,6]C[5,5,6]2C)	C[3x5,6](C[5,5,6]C[5,6,6]C[5]C)(C[5,5,6]O[5,6]C[5]H)(O[5,5]C[5,5,6,6])(CHHO){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[3x5,6]C[5,5,6]2O[5,5])(OH)(H)2	O[5,5](C[5,5,6,6]C[5,6,6]O[5,6]C[6])(C[3x5,6]C[5,5,6]2C){1|C<3>,2|H<1>,5|C<4>}	109.9315	0.316	2	109.9315	0.100	2	109.9315	0.100	2	109.9315	0.100	2	109.7326	0.225	5	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[3x5,6]	C	O[5,5]	4:4:2:4:	4:4:1:1:	4:4:	C[3x5,6,6]-4:C[4,5,5,6]-4:O[5,5]-2:C-4:	C[3x5,6]-4:C-4:H-1:H-1:	C[3x5,6]-4:C[3x5,6]-4:	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(CCHH)	C(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O[5,5])(CHHO)(H)2	O[5,5](C[3x5,6]C[3x5,6,6]C[4,5,5,6]C)2	C[3x5,6](C[3x5,6,6]C[3x5,6,6]C[3x5,6]H)(C[4,5,5,6]C[4,5,5,6]2H)(O[5,5]C[3x5,6])(CCHH){4|C<4>,4|H<1>}	C(C[3x5,6]C[3x5,6,6]C[4,5,5,6]O[5,5])(CHHO)(H)2	O[5,5](C[3x5,6]C[3x5,6,6]C[4,5,5,6]C)2{4|C<4>,4|H<1>}	109.7410	0.740	2	109.7410	0.547	2	109.7410	0.547	2	109.7410	0.547	2	109.7326	0.225	5	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[4x5]	C	O[5,5]	4:4:2:4:	4:1:1:1:	4:4:	C[4x5,6]-4:C[3x5,6]-4:O[5,5]-2:C-4:	C[4x5]-4:H-1:H-1:H-1:	C[4x5]-4:C[3,5,5]-4:	C[4x5](C[4x5,6]C[3,5,5,6]C[5,5,6]C[5])(C[3x5,6]C[3,5,5,6]C[5,6]H)(O[5,5]C[3,5,5])(CH3)	C(C[4x5]C[3x5,6]C[4x5,6]O[5,5])(H)3	O[5,5](C[4x5]C[3x5,6]C[4x5,6]C)(C[3,5,5]C[3,5,5,6]2C)	C[4x5](C[4x5,6]C[3,5,5,6]C[5,5,6]C[5])(C[3x5,6]C[3,5,5,6]C[5,6]H)(O[5,5]C[3,5,5])(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[4x5]C[3x5,6]C[4x5,6]O[5,5])(H)3	O[5,5](C[4x5]C[3x5,6]C[4x5,6]C)(C[3,5,5]C[3,5,5,6]2C){2|H<1>,4|C<3>}	111.0380	0.000	1	111.0380	0.000	1	111.0380	0.000	1	111.0380	0.000	1	111.0380	0.000	1	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6,6]	C	O[5,5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,6,6]-4:C[5,6,6]-4:O[5,5]-2:C-4:	C[5,5,6,6]-4:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6,6](C[5,6,6]C[5,6]O[6]C)(C[5,6,6]C[5,6]O[6]H)(O[5,5]C[5,5,6])(CH3)	C(C[5,5,6,6]C[5,6,6]2O[5,5])(H)3	O[5,5](C[5,5,6,6]C[5,6,6]2C)(C[5,5,6]C[5,6]2H)	C[5,5,6,6](C[5,6,6]C[5,6]O[6]C)(C[5,6,6]C[5,6]O[6]H)(O[5,5]C[5,5,6])(CH3){1|C<3>,1|S<2>,2|F<1>,2|H<1>}	C(C[5,5,6,6]C[5,6,6]2O[5,5])(H)3	O[5,5](C[5,5,6,6]C[5,6,6]2C)(C[5,5,6]C[5,6]2H){1|C<3>,1|S<2>,2|F<1>,2|H<1>,2|O<2>}	113.2970	0.000	1	113.2970	0.000	1	113.2970	0.000	1	113.2970	0.000	1	113.2970	0.000	1	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6,6]	C	O[5,6]	4:4:2:4:	4:1:1:1:	4:4:	C[5,5,3x6]-4:C[5,5,6]-4:O[5,6]-2:C-4:	C[5,5,6,6]-4:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:	C[5,5,6,6](C[5,5,3x6]C[3x5,6]C[5,3x6]O)(C[5,5,6]C[3x5,6]O[5]O)(O[5,6]C[5,6])(CH3)	C(C[5,5,6,6]C[5,5,3x6]C[5,5,6]O[5,6])(H)3	O[5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C)(C[5,6]C[6]O[5]C)	C[5,5,6,6](C[5,5,3x6]C[3x5,6]C[5,3x6]O)(C[5,5,6]C[3x5,6]O[5]O)(O[5,6]C[5,6])(CH3){1|H<1>,2|O<2>,4|C<4>}	C(C[5,5,6,6]C[5,5,3x6]C[5,5,6]O[5,6])(H)3	O[5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C)(C[5,6]C[6]O[5]C){2|H<1>,2|O<2>,3|C<4>}	105.9780	0.000	1	105.9780	0.000	1	105.9780	0.000	1	106.5905	0.750	2	106.5905	0.750	2	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6,6]	C	O[5,6]	4:4:2:4:	4:1:1:1:	4:4:	C[5,5,6]-4:C[5,6,6]-4:O[5,6]-2:C-4:	C[5,5,6,6]-4:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]H)(C[5,6,6]C[5,6]C[6]C)(O[5,6]C[5,6])(CH3)	C(C[5,5,6,6]C[5,5,6]C[5,6,6]O[5,6])(H)3	O[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C)(C[5,6]C[5,5,6]HH)	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]H)(C[5,6,6]C[5,6]C[6]C)(O[5,6]C[5,6])(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C(C[5,5,6,6]C[5,5,6]C[5,6,6]O[5,6])(H)3	O[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C)(C[5,6]C[5,5,6]HH){1|C<3>,1|H<1>,4|C<4>}	107.2030	0.000	1	107.2030	0.000	1	107.2030	0.000	1	106.5905	0.750	2	106.5905	0.750	2	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	2:3:3:4:	4:1:1:1:	4:4:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CH3)	C(C[5,5,6]C[5,6]2O[5,5])(H)3	O[5,5](C[5,5,6]C[5,6]2C)2	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[5,5,6]C[5,6]2O[5,5])(H)3	O[5,5](C[5,5,6]C[5,6]2C)2{2|C<3>,2|H<1>}	112.0665	2.067	2	112.0665	4.272	2	112.0665	4.272	2	112.0665	4.272	2	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	2:3:3:4:	4:3:1:1:	4:4:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C-3:H-1:H-1:	C[5,5,3x6]-4:C[5,5,6]-4:	C[5,5,6](O[5,5]C[5,5,3x6])(C[5,6]C[5,3x6]O)(C[5,6]C[5,6,6]O)(CCHH)	C(C[5,5,6]C[5,6]2O[5,5])(CCH)(H)2	O[5,5](C[5,5,3x6]C[5,3x6]C[5,6,6]O[6])(C[5,5,6]C[5,6]2C)	C[5,5,6](O[5,5]C[5,5,3x6])(C[5,6]C[5,3x6]O)(C[5,6]C[5,6,6]O)(CCHH){1|C<3>,1|O<2>,3|C<4>}	C(C[5,5,6]C[5,6]2O[5,5])(CCH)(H)2	O[5,5](C[5,5,3x6]C[5,3x6]C[5,6,6]O[6])(C[5,5,6]C[5,6]2C){1|C<3>,2|O<1>,4|C<4>}	114.9070	0.000	1	114.9070	0.000	1	114.9070	0.000	1	114.3715	0.574	2	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	2:3:3:4:	4:3:1:1:	4:4:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-4:	C[5,5,6]-4:N-3:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CHHN)	C(C[5,5,6]C[5,6]2O[5,5])(NHS)(H)2	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CHHN){1|C<3>,2|H<1>}	C(C[5,5,6]C[5,6]2O[5,5])(NHS)(H)2	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H){2|C<3>,2|H<1>}	113.8360	0.000	1	113.8360	0.000	1	113.8360	0.000	1	114.3715	0.574	2	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	2:3:3:4:	4:4:1:1:	4:4:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CCHH)	C(C[5,5,6]C[5,6]2O[5,5])(CC[5]HH)(H)2	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CCHH){1|C<3>,2|H<1>}	C(C[5,5,6]C[5,6]2O[5,5])(CC[5]HH)(H)2	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H){2|C<3>,2|H<1>}	111.0920	0.000	1	111.0920	0.000	1	112.5660	4.345	2	112.5660	4.345	2	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	2:3:3:4:	4:4:1:1:	4:4:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CCHH)	C(C[5,5,6]C[5,6]2O[5,5])(CC[6]HH)(H)2	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CCHH){1|C<3>,2|H<1>}	C(C[5,5,6]C[5,6]2O[5,5])(CC[6]HH)(H)2	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H){2|C<3>,2|H<1>}	114.0400	0.000	1	114.0400	0.000	1	112.5660	4.345	2	112.5660	4.345	2	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	3:2:3:4:	4:1:1:1:	4:4:	C[5,6,6]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	C(C[5,5,6]C[5,6,6]C[5,6]O[5,5])(H)3	O[5,5](C[5,5,6]C[5,6,6]C[5,6]C)2	C[5,5,6](C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|N<3>,2|C<4>,3|H<1>}	C(C[5,5,6]C[5,6,6]C[5,6]O[5,5])(H)3	O[5,5](C[5,5,6]C[5,6,6]C[5,6]C)2{1|C<4>,1|N<3>,2|H<1>}	112.7560	0.000	1	112.7560	0.000	1	111.1885	4.914	2	112.4800	3.440	6	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	3:2:3:4:	4:1:1:1:	4:4:	C[5,6,6]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	C(C[5,5,6]C[5,6,6]C[5,6]O[5,5])(H)3	O[5,5](C[5,5,6]C[5,6,6]C[5,6]C)2	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|H<1>,1|S<4>,3|C<4>}	C(C[5,5,6]C[5,6,6]C[5,6]O[5,5])(H)3	O[5,5](C[5,5,6]C[5,6,6]C[5,6]C)2{1|C<4>,1|N<3>,2|H<1>}	109.6210	0.000	1	109.6210	0.000	1	111.1885	4.914	2	112.4800	3.440	6	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	3:2:3:4:	4:1:1:1:	4:4:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3)	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(H)3	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(H)3	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)2{4|C<3>}	111.2100	0.000	1	112.2840	2.307	2	112.5003	1.294	3	112.4800	3.440	6	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	3:2:3:4:	4:1:1:1:	4:4:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3)	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(H)3	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(H)3	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)2{1|H<1>,3|C<3>}	113.3580	0.000	1	112.2840	2.307	2	112.5003	1.294	3	112.4800	3.440	6	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	3:2:3:4:	4:1:1:1:	4:4:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(H)3	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(H)3	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)2{1|H<1>,3|C<3>}	112.9330	0.000	1	112.9330	0.000	1	112.5003	1.294	3	112.4800	3.440	6	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	3:2:3:4:	4:1:1:1:	4:4:	C[5,6]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[3x5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6,6]O)(O[5,5]C[3x5,6,6])(C[5,6]C[5,6,6]O)(CH3)	C(C[5,5,6]C[5,6]2O[5,5])(H)3	O[5,5](C[3x5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5,5,6]C[5,6]2C)	C[5,5,6](C[5,6]C[5,5,6,6]O)(O[5,5]C[3x5,6,6])(C[5,6]C[5,6,6]O)(CH3){1|C<3>,4|C<4>}	C(C[5,5,6]C[5,6]2O[5,5])(H)3	O[5,5](C[3x5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5,5,6]C[5,6]2C){1|C<3>,1|O<2>,2|H<1>,2|O<1>,3|C<4>}	115.0020	0.000	1	115.0020	0.000	1	115.0020	0.000	1	112.4800	3.440	6	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	3:2:3:4:	4:2:1:1:	4:4:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CHHO)	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(OSi)(H)2	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CHHO){2|C<3>,3|H<1>}	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(OSi)(H)2	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H){1|C<4>,1|H<1>,2|C<3>}	113.1990	0.000	1	113.1990	0.000	1	113.1990	0.000	1	113.1990	0.000	1	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	3:2:3:4:	4:3:1:1:	4:4:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:N-3:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CHHN)	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(NHS)(H)2	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CHHN){1|C<4>,1|H<1>,3|C<3>}	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(NHS)(H)2	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)2{4|C<3>}	112.5270	0.000	1	112.5270	0.000	1	112.5270	0.000	1	112.5270	0.000	1	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	3:2:3:4:	4:4:4:1:	4:4:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C-4:C-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CCCH)	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(CH3)2(H)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CCCH){1|C<4>,2|C<3>,3|H<1>}	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(CH3)2(H)	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)2{2|H<1>,3|C<3>}	114.5220	0.000	1	114.5220	0.000	1	114.5220	0.000	1	114.5220	0.000	1	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	3:4:2:4:	4:1:1:1:	4:4:	C[5,6,6a]-3:C[3,5,6]-4:O[5,5]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(CH3)	C(C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])(H)3	O[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]C)(C[5,5,6]C[5,6,6a]C[3,5,6]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(O[5,5]C[5,5,6])(CH3){1|O<2>,2|C<3>,4|H<1>}	C(C[5,5,6]C[5,6,6a]C[3,5,6]O[5,5])(H)3	O[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]C)(C[5,5,6]C[5,6,6a]C[3,5,6]H){1|C<4>,2|C<3>,2|H<1>}	109.6390	0.000	1	109.6390	0.000	1	109.6390	0.000	1	111.7044	2.551	5	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	3:4:2:4:	4:1:1:1:	4:4:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(CH3)	C(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])(H)3	O[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]C)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(CH3){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])(H)3	O[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]C)2{2|H<1>,4|C<3>}	111.9930	0.000	1	111.9930	0.000	1	111.6925	0.181	2	111.7044	2.551	5	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	3:4:2:4:	4:1:1:1:	4:4:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]O[5]H)(O[5,5]C[5,5,6])(CH3)	C(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])(H)3	O[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]C)(C[5,5,6]C[5,6,6a]C[5,5,6]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]O[5]H)(O[5,5]C[5,5,6])(CH3){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])(H)3	O[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]C)(C[5,5,6]C[5,6,6a]C[5,5,6]H){1|O<2>,2|H<1>,3|C<3>}	111.3920	0.000	1	111.3920	0.000	1	111.6925	0.181	2	111.7044	2.551	5	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	3:4:2:4:	4:1:1:1:	4:4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CH3)	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(H)3	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(H)3	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)2{2|H<1>,3|C<3>}	114.0860	0.000	1	114.0860	0.000	1	112.7490	3.575	2	111.7044	2.551	5	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	3:4:2:4:	4:1:1:1:	4:4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(CH3)	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(H)3	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(CH3){1|O<2>,2|H<1>,3|C<3>}	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(H)3	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H){1|O<2>,2|H<1>,3|C<3>}	111.4120	0.000	1	111.4120	0.000	1	112.7490	3.575	2	111.7044	2.551	5	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	3:4:2:4:	4:2:1:1:	4:4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:C-4:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CHHO)	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(OC)(H)2	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CHHO){3|C<3>,3|H<1>}	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(OC)(H)2	O[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)(C[5,5,6]C[5,6,6a]C[5,6]H){3|C<3>,3|H<1>}	111.3460	0.000	1	111.3460	0.000	1	111.3460	0.000	1	111.3460	0.000	1	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	3:4:2:4:	4:3:1:1:	4:4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:C-4:	C[5,5,6]-4:N-3:H-1:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(CHHN)	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(NHS)(H)2	O[5,5](C[3x5,6]C[5,6,6a]C[5,5,6]C[5])(C[5,5,6]C[5,6,6a]C[5,6]C)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(CHHN){2|C<3>,2|C<4>,2|H<1>}	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(NHS)(H)2	O[5,5](C[3x5,6]C[5,6,6a]C[5,5,6]C[5])(C[5,5,6]C[5,6,6a]C[5,6]C){2|C<3>,2|C<4>,5|H<1>}	111.5725	1.426	2	111.5725	2.034	2	111.5725	2.034	2	111.5725	2.034	2	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	4:2:2:4:	4:1:1:1:	4:4:	C[3,5,6]-4:O[5,5]-2:C[5,6]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6])(CH3)	C(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(H)3	O[5,5](C[5,5,6]C[3,5,6]C[5,6]C)2	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6])(CH3){1|C<3>,2|C<4>}	C(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(H)3	O[5,5](C[5,5,6]C[3,5,6]C[5,6]C)2{1|C<4>,2|C<3>}	110.0460	0.000	1	110.2245	0.064	2	110.2245	0.064	2	112.0529	1.061	11	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	4:2:2:4:	4:1:1:1:	4:4:	C[3,5,6]-4:O[5,5]-2:C[5,6]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6])(CH3)	C(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(H)3	O[5,5](C[5,5,6]C[3,5,6]C[5,6]C)2	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6])(CH3){1|C<4>,2|C<3>}	C(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(H)3	O[5,5](C[5,5,6]C[3,5,6]C[5,6]C)2{1|C<4>,2|C<3>}	110.4030	0.000	1	110.2245	0.064	2	110.2245	0.064	2	112.0529	1.061	11	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	4:2:2:4:	4:1:1:1:	4:4:	C[5,5,6]-4:O[5,5]-2:O[5,6]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(CH3)	C(C[5,5,6]C[5,5,6]O[5,5]O[5,6])(H)3	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]O[5,6]C)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(CH3){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C(C[5,5,6]C[5,5,6]O[5,5]O[5,6])(H)3	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]O[5,6]C){1|N<3>,2|C<3>,2|H<1>}	112.2562	0.207	4	112.2562	0.043	4	112.3104	0.047	5	112.0529	1.061	11	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	4:2:2:4:	4:1:1:1:	4:4:	C[5,5,6]-4:O[5,5]-2:O[5,6]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]C)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(CH3)	C(C[5,5,6]C[5,5,6]O[5,5]O[5,6])(H)3	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]O[5,6]C)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]C)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(CH3){1|C<4>,1|O<2>,4|H<1>}	C(C[5,5,6]C[5,5,6]O[5,5]O[5,6])(H)3	O[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5,6]O[5,6]C){1|C<4>,2|O<2>,3|H<1>}	112.5270	0.000	1	112.5270	0.000	1	112.3104	0.047	5	112.0529	1.061	11	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	4:2:2:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5,5]-2:O[5,6]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]CC)(O[5,5]C[5,5,6])(O[5,6]C[5,6,6])(CH3)	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(H)3	O[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,6]C)	C[5,5,6](C[5,6]C[5,6]CC)(O[5,5]C[5,5,6])(O[5,6]C[5,6,6])(CH3){1|H<1>,1|O<1>,2|C<3>}	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(H)3	O[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,6]C){1|O<1>,2|C<3>,2|C<4>}	112.4030	0.000	1	112.4030	0.000	1	112.6453	0.648	4	112.0529	1.061	11	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	4:2:2:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5,5]-2:O[5,6]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]CC)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(CH3)	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(H)3	O[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]2C)	C[5,5,6](C[5,6]C[5,6]CC)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(H)3	O[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]2C){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	112.1140	0.000	1	112.1695	0.006	2	112.6453	0.648	4	112.0529	1.061	11	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	4:2:2:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5,5]-2:O[5,6]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]CC)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(CH3)	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(H)3	O[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]2C)	C[5,5,6](C[5,6]C[5,6]CC)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(CH3){1|C<4>,1|O<1>,2|H<1>}	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(H)3	O[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]2C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	112.2250	0.000	1	112.1695	0.006	2	112.6453	0.648	4	112.0529	1.061	11	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	4:2:2:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5,5]-2:O[5,6]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(O[5,6]O[5,6])(CH3)	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(H)3	O[5,5](C[5,5,6]C[5,6]O[5,6]C)2	C[5,5,6](C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(O[5,6]O[5,6])(CH3){1|C<4>,1|H<1>,1|O<2>}	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(H)3	O[5,5](C[5,5,6]C[5,6]O[5,6]C)2{2|H<1>,2|O<2>}	113.8390	0.000	1	113.8390	0.000	1	112.6453	0.648	4	112.0529	1.061	11	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	4:2:2:4:	4:2:1:1:	4:4:	C[5,6]-4:O[5,5]-2:O[5,6]-2:C-4:	C[5,5,6]-4:C-2:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(O[5,6]O[5,6])(CCHH)	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(CN)(H)2	O[5,5](C[5,5,6]C[5,6]O[5,6]C)2	C[5,5,6](C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(O[5,6]O[5,6])(CCHH){1|C<4>,1|H<1>,1|O<2>}	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(CN)(H)2	O[5,5](C[5,5,6]C[5,6]O[5,6]C)2{2|H<1>,2|O<2>}	112.5360	0.000	1	112.5360	0.000	1	112.5360	0.000	1	112.5360	0.000	1	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	4:2:2:4:	4:3:1:1:	4:4:	C[5,6]-4:O[5,5]-2:O[5,6]-2:C-4:	C[5,5,6]-4:C-3:H-1:H-1:	C[5,5,6]-4:C[5,5,6,6]-4:	C[5,5,6](C[5,6]C[5,6,6]HO)(O[5,5]C[5,5,6,6])(O[5,6]C[5,6,6])(CCHH)	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(CCO)(H)2	O[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6,6]C[5,6,6]2H)	C[5,5,6](C[5,6]C[5,6,6]HO)(O[5,5]C[5,5,6,6])(O[5,6]C[5,6,6])(CCHH){1|C<4>,1|O<2>,3|H<1>}	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(CCO)(H)2	O[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6,6]C[5,6,6]2H){1|C<4>,2|O<2>,3|H<1>}	113.0090	0.000	1	113.0090	0.000	1	113.0090	0.000	1	113.0090	0.000	1	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	4:2:2:4:	4:4:1:1:	4:4:	C[5,6]-4:O[5,5]-2:O[5,6]-2:C-4:	C[5,5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6,6]-4:	C[5,5,6](C[5,6]C[5,6,6]HO)(O[5,5]C[5,5,6,6])(O[5,6]C[5,6,6])(CCHH)	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(CHHO)(H)2	O[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6,6]C[5,6,6]2H)	C[5,5,6](C[5,6]C[5,6,6]HO)(O[5,5]C[5,5,6,6])(O[5,6]C[5,6,6])(CCHH){1|C<4>,1|O<2>,3|H<1>}	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(CHHO)(H)2	O[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6,6]C[5,6,6]2H){1|C<4>,2|O<2>,3|H<1>}	114.0270	0.000	1	114.0270	0.000	1	114.0270	0.000	1	114.0270	0.000	1	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	4:2:3:4:	4:1:1:1:	4:4:	C[3,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	C(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(H)3	O[5,5](C[5,5,6]C[3,5,6]C[5,6]C)(C[5,5,6]C[3,5,6]C[5,6]H)	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(H)3	O[5,5](C[5,5,6]C[3,5,6]C[5,6]C)(C[5,5,6]C[3,5,6]C[5,6]H){1|C<3>,2|C<4>,2|H<1>}	111.4125	0.332	2	111.4125	0.110	2	111.5318	0.093	6	111.9637	0.448	23	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	4:2:3:4:	4:1:1:1:	4:4:	C[3,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	C(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(H)3	O[5,5](C[5,5,6]C[3,5,6]C[5,6]C)2	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(H)3	O[5,5](C[5,5,6]C[3,5,6]C[5,6]C)2{1|C<3>,2|C<4>,2|H<1>}	111.7890	0.229	2	111.5915	0.104	4	111.5318	0.093	6	111.9637	0.448	23	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	4:2:3:4:	4:1:1:1:	4:4:	C[3,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	C(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(H)3	O[5,5](C[5,5,6]C[3,5,6]C[5,6]C)2	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(H)3	O[5,5](C[5,5,6]C[3,5,6]C[5,6]C)2{1|C<3>,2|C<4>,2|H<1>}	111.3940	0.324	2	111.5915	0.104	4	111.5318	0.093	6	111.9637	0.448	23	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	4:2:3:4:	4:1:1:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(H)3	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(H)3	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H){1|C<4>,2|C<3>,3|H<1>}	112.2650	0.239	2	112.2650	0.057	2	112.0054	0.678	8	111.9637	0.448	23	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	4:2:3:4:	4:1:1:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(H)3	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(H)3	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H){2|C<3>,4|H<1>}	112.7730	0.324	2	112.7730	0.105	2	112.0054	0.678	8	111.9637	0.448	23	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	4:2:3:4:	4:1:1:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(H)3	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(H)3	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)2{2|C<3>,4|H<1>}	112.0310	0.187	2	112.0310	0.035	2	112.0054	0.678	8	111.9637	0.448	23	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	4:2:3:4:	4:1:1:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(H)3	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3){1|C<4>,1|O<2>,1|S<4>,2|F<1>,4|H<1>}	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(H)3	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<4>,2|F<1>}	110.2390	0.000	1	110.2390	0.000	1	112.0054	0.678	8	111.9637	0.448	23	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	4:2:3:4:	4:1:1:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(H)3	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|C<4>,1|O<2>,2|F<1>,4|H<1>}	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(H)3	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,6]2H){1|C<4>,1|O<2>,2|F<1>,2|H<1>}	111.6660	0.000	1	111.6660	0.000	1	112.0054	0.678	8	111.9637	0.448	23	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	4:2:3:4:	4:1:1:1:	4:4:	C[5,5,6]-4:O[5,5]-2:N[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(N[5,6]C[5,6]C)(CH3)	C(C[5,5,6]C[5,5,6]N[5,6]O[5,5])(H)3	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]N[5,6]C)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(N[5,6]C[5,6]C)(CH3){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C(C[5,5,6]C[5,5,6]N[5,6]O[5,5])(H)3	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]N[5,6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	111.8883	0.309	3	111.8883	0.095	3	111.8883	0.095	3	111.9637	0.448	23	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	4:2:3:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(CH3)	C(C[5,5,6]C[5,6]2O[5,5])(H)3	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2C)	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[5,5,6]C[5,6]2O[5,5])(H)3	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2C){1|N<3>,3|C<3>,5|H<1>}	112.0480	0.567	2	112.0480	0.322	2	112.0087	0.166	4	111.9637	0.448	23	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	4:2:3:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(CH3)	C(C[5,5,6]C[5,6]2O[5,5])(H)3	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2C)	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(CH3){1|Cl<1>,1|H<1>,2|C<4>}	C(C[5,5,6]C[5,6]2O[5,5])(H)3	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2C){1|Cl<1>,1|C<4>,1|N<3>,6|H<1>}	111.9695	0.412	2	111.9695	0.170	2	112.0087	0.166	4	111.9637	0.448	23	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	4:2:3:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]C[6a]H)(O[5,5]C[5,5,6])(C[5,6]O[5,6]O)(CH3)	C(C[5,5,6]C[5,6]2O[5,5])(H)3	O[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]2C)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(O[5,5]C[5,5,6])(C[5,6]O[5,6]O)(CH3){2|C<4>,3|C<3>}	C(C[5,5,6]C[5,6]2O[5,5])(H)3	O[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]2C){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	113.3800	0.000	1	113.3800	0.000	1	113.1150	0.140	2	111.9637	0.448	23	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	4:2:3:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]O[5,6]O)(CH3)	C(C[5,5,6]C[5,6]2O[5,5])(H)3	O[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]2C)	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]O[5,6]O)(CH3){1|C<3>,2|C<4>}	C(C[5,5,6]C[5,6]2O[5,5])(H)3	O[5,5](C[5,5,6]C[5,6]O[5,6]C)(C[5,5,6]C[5,6]2C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	112.8500	0.000	1	112.8500	0.000	1	113.1150	0.140	2	111.9637	0.448	23	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	4:2:3:4:	4:2:1:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CHHO)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(OH)(H)2	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CHHO){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(OH)(H)2	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H){2|C<3>,4|H<1>}	112.1325	0.700	4	112.1325	0.490	4	111.9515	0.385	6	111.9515	0.385	6	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	4:2:3:4:	4:2:1:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CHHO)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(OH)(H)2	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]N)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CHHO){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(OH)(H)2	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]N){2|C<3>,4|H<1>}	111.5895	0.255	2	111.5895	0.065	2	111.9515	0.385	6	111.9515	0.385	6	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	4:2:3:4:	4:3:1:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:N-3:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(O[5,5]C[5,5,6])(C[5,6]O[5,6]C)(CHHN)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(NCS)(H)2	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]O[5,6]C)	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(O[5,5]C[5,5,6])(C[5,6]O[5,6]C)(CHHN){1|H<1>,2|C<3>,2|C<4>}	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(NCS)(H)2	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]O[5,6]C){1|N<3>,2|C<3>,2|H<1>}	109.0720	1.108	4	109.0720	1.228	4	109.0720	1.228	4	111.0263	3.180	12	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	4:2:3:4:	4:3:1:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C-3:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CCHH)	C(C[5,5,6]C[5,6]2O[5,5])(CCC)(H)2	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CCHH){1|H<1>,3|C<4>}	C(C[5,5,6]C[5,6]2O[5,5])(CCC)(H)2	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H){1|H<1>,2|C<3>,3|C<4>}	110.4690	0.549	2	110.4690	0.301	2	111.9297	1.563	6	111.0263	3.180	12	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	4:2:3:4:	4:3:1:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C-3:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(CCHH)	C(C[5,5,6]C[5,6]2O[5,5])(CCH)(H)2	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(CCHH){1|O<2>,4|H<1>}	C(C[5,5,6]C[5,6]2O[5,5])(CCH)(H)2	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H){1|O<1>,2|O<2>,4|H<1>}	112.6600	0.609	4	112.6600	0.371	4	111.9297	1.563	6	111.0263	3.180	12	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	4:2:3:4:	4:3:1:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(CN[5]HH)	C(C[5,5,6]C[5,6]2O[5,5])(N[5]C[5]2)(H)2	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2C)	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(CN[5]HH){2|C<4>,2|H<1>}	C(C[5,5,6]C[5,6]2O[5,5])(N[5]C[5]2)(H)2	O[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6]C[5,6]2C){1|C<4>,1|N<3>,7|H<1>}	112.2245	0.658	2	112.2245	0.433	2	112.2245	0.433	2	111.0263	3.180	12	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	4:2:3:4:	4:4:1:1:	4:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CCHH)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(CH3)(H)2	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CCHH){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(CH3)(H)2	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H){2|C<3>,4|H<1>}	112.4057	0.238	3	112.4057	0.056	3	112.4057	0.056	3	112.1534	0.390	5	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	4:2:3:4:	4:4:1:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C-4:H-1:H-1:	C[3x5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(CCHH)	C(C[5,5,6]C[5,6]2O[5,5])(CH3)(H)2	O[5,5](C[3x5,6]C[5,5,6]C[5,6]2)(C[5,5,6]C[5,6]2C)	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(CCHH){1|C<3>,1|C<4>,2|H<1>}	C(C[5,5,6]C[5,6]2O[5,5])(CH3)(H)2	O[5,5](C[3x5,6]C[5,5,6]C[5,6]2)(C[5,5,6]C[5,6]2C){1|N<3>,3|C<3>,5|H<1>}	112.4710	0.000	1	112.4710	0.000	1	112.4710	0.000	1	112.1534	0.390	5	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	4:2:3:4:	4:4:1:1:	4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CCHH)	C(C[5,5,6]C[5,6]2O[5,5])(CC[6a]HH)(H)2	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CCHH){1|C<4>,3|H<1>}	C(C[5,5,6]C[5,6]2O[5,5])(CC[6a]HH)(H)2	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H){2|C<4>,4|H<1>}	111.0790	0.000	1	111.0790	0.000	1	111.0790	0.000	1	112.1534	0.390	5	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	4:3:2:4:	4:1:1:1:	4:4:	C[5,5,6,6]-4:C[5,6,6a]-3:O[5,5]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C)(C[5,6,6a]C[5,6,6a]O[6a])(O[5,5]C[5,5,6])(CH3)	C(C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])(H)3	O[5,5](C[5,5,6]C[5,5,6,6]C[5,6,6a]C)(C[5,5,6]C[5,5,6,6]C[5,6,6a]H)	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C)(C[5,6,6a]C[5,6,6a]O[6a])(O[5,5]C[5,5,6])(CH3){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C(C[5,5,6]C[5,5,6,6]C[5,6,6a]O[5,5])(H)3	O[5,5](C[5,5,6]C[5,5,6,6]C[5,6,6a]C)(C[5,5,6]C[5,5,6,6]C[5,6,6a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	111.6382	0.667	4	111.6382	0.444	4	111.6382	0.444	4	111.6382	0.444	4	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,5,6,6]-4:C[5,5,6,6]-4:O[5,5]-2:C-4:	C[5,5,6]-4:F-1:F-1:F-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)2(O[5,5]C[5,5,6])(CF3)	C(C[5,5,6]C[5,5,6,6]2O[5,5])(F)3	O[5,5](C[5,5,6]C[5,5,6,6]2C)2	C[5,5,6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]H)2(O[5,5]C[5,5,6])(CF3){4|H<1>,7|C<4>}	C(C[5,5,6]C[5,5,6,6]2O[5,5])(F)3	O[5,5](C[5,5,6]C[5,5,6,6]2C)2{4|C<4>,4|H<1>}	108.0846	0.534	5	108.0846	0.285	5	108.0846	0.285	5	110.2637	2.547	18	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,5,6]-4:C[4,5,6]-4:O[5,5]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[4,5,6]C[5,6]C[4]2)(O[5,5]C[5,5,6])(CH3)	C(C[5,5,6]C[4,5,6]C[5,5,6]O[5,5])(H)3	O[5,5](C[5,5,6]C[4,5,6]C[5,5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[4,5,6]C[5,6]C[4]2)(O[5,5]C[5,5,6])(CH3){2|O<1>,3|C<4>,6|H<1>}	C(C[5,5,6]C[4,5,6]C[5,5,6]O[5,5])(H)3	O[5,5](C[5,5,6]C[4,5,6]C[5,5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	110.5000	0.000	1	110.5000	0.000	1	110.5000	0.000	1	110.2637	2.547	18	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CH3)	C(C[5,5,6]C[5,6]2O[5,5])(H)3	O[5,5](C[5,5,6]C[5,6,6]C[5,6]C[6a])(C[5,5,6]C[5,6]2C)	C[5,5,6](C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[5,5,6]C[5,6]2O[5,5])(H)3	O[5,5](C[5,5,6]C[5,6,6]C[5,6]C[6a])(C[5,5,6]C[5,6]2C){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	110.1172	0.210	4	110.1172	0.044	4	110.9516	0.618	10	110.2637	2.547	18	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]CO)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(CH3)	C(C[5,5,6]C[5,6]2O[5,5])(H)3	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)	C[5,5,6](C[5,6]C[5,6]CO)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(CH3){1|S<2>,2|F<1>,2|H<1>}	C(C[5,5,6]C[5,6]2O[5,5])(H)3	O[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H){1|C<3>,1|S<2>,2|F<1>,2|H<1>,2|O<2>}	110.7510	0.000	1	110.7510	0.000	1	110.9516	0.618	10	110.2637	2.547	18	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(O[5,5]C[5,5,6])(CH3)	C(C[5,5,6]C[5,6]2O[5,5])(H)3	O[5,5](C[5,5,6]C[5,6]2C)2	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HN)(O[5,5]C[5,5,6])(CH3){2|C<4>,3|H<1>}	C(C[5,5,6]C[5,6]2O[5,5])(H)3	O[5,5](C[5,5,6]C[5,6]2C)2{1|C<4>,1|N<3>,6|H<1>}	111.5950	0.201	2	111.5950	0.040	2	110.9516	0.618	10	110.2637	2.547	18	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(CH3)	C(C[5,5,6]C[5,6]2O[5,5])(H)3	O[5,5](C[5,5,6]C[5,6]2C)2	C[5,5,6](C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(CH3){2|C<4>,3|H<1>}	C(C[5,5,6]C[5,6]2O[5,5])(H)3	O[5,5](C[5,5,6]C[5,6]2C)2{1|C<4>,1|O<2>,6|H<1>}	111.7020	0.150	3	111.7020	0.022	3	110.9516	0.618	10	110.2637	2.547	18	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	P[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]O[5,6]HH)2(O[5,5]P[5,5,6])(CH3)	C(C[5,5,6]C[5,6]2O[5,5])(H)3	O[5,5](P[5,5,6]O[5,6]2Ru)(C[5,5,6]C[5,6]2C)	C[5,5,6](C[5,6]O[5,6]HH)2(O[5,5]P[5,5,6])(CH3){1|Ru<6>}	C(C[5,5,6]C[5,6]2O[5,5])(H)3	O[5,5](P[5,5,6]O[5,6]2Ru)(C[5,5,6]C[5,6]2C){4|H<1>}	112.8340	0.000	1	112.1540	0.925	2	112.1540	0.925	2	110.2637	2.547	18	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	P[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]O[5,6]HH)2(O[5,5]P[5,5,6])(CH3)	C(C[5,5,6]C[5,6]2O[5,5])(H)3	O[5,5](P[5,5,6]O[5,6]2Ru)(C[5,5,6]C[5,6]2C)	C[5,5,6](C[5,6]O[5,6]HH)2(O[5,5]P[5,5,6])(CH3){1|Ru<9>}	C(C[5,5,6]C[5,6]2O[5,5])(H)3	O[5,5](P[5,5,6]O[5,6]2Ru)(C[5,5,6]C[5,6]2C){4|H<1>}	111.4740	0.000	1	112.1540	0.925	2	112.1540	0.925	2	110.2637	2.547	18	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	4:4:2:4:	4:2:1:1:	4:4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C-4:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CHHO)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(OC)(H)2	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CHHO){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(OC)(H)2	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)2{2|C<3>,6|H<1>}	111.1635	0.173	2	111.1635	0.030	2	110.5195	1.636	4	110.5195	1.636	4	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	4:4:2:4:	4:2:1:1:	4:4:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C-4:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CHHO)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(OH)(H)2	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)2	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CHHO){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(OH)(H)2	O[5,5](C[5,5,6]C[5,5,6]C[5,6]C)2{2|C<3>,6|H<1>}	109.8755	1.794	2	109.8755	3.218	2	110.5195	1.636	4	110.5195	1.636	4	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	4:4:2:4:	4:4:4:2:	4:4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:C-4:	C[5,5,6]-4:C-4:C-4:O-2:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CCCO)	C(C[5,5,6]C[5,6]2O[5,5])(CCHH)(CH3)(OH)	O[5,5](C[5,5,6]C[5,6]2C)2	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CCCO){1|C<4>,1|N<3>,3|H<1>}	C(C[5,5,6]C[5,6]2O[5,5])(CCHH)(CH3)(OH)	O[5,5](C[5,5,6]C[5,6]2C)2{1|C<4>,1|N<3>,6|H<1>}	105.8300	0.867	2	106.3458	0.448	5	106.3458	0.448	5	106.3458	0.448	5	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,5]	4:4:2:4:	4:4:4:2:	4:4:	C[5,6]-4:C[5,6]-4:O[5,5]-2:C-4:	C[5,5,6]-4:C-4:C-4:O-2:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CCCO)	C(C[5,5,6]C[5,6]2O[5,5])(CCHH)(CH3)(OH)	O[5,5](C[5,5,6]C[5,6]2C)2	C[5,5,6](C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(CCCO){1|C<4>,1|O<2>,3|H<1>}	C(C[5,5,6]C[5,6]2O[5,5])(CCHH)(CH3)(OH)	O[5,5](C[5,5,6]C[5,6]2C)2{1|C<4>,1|O<2>,6|H<1>}	106.6897	0.279	3	106.3458	0.448	5	106.3458	0.448	5	106.3458	0.448	5	111.4330	3.321	114	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,6]	3:4:2:4:	4:2:1:1:	4:4:	C[5,5a,6]-3:C[5,5]-4:O[5,6]-2:C-4:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,5a,6]N[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(CHHO)	C(C[5,5,6]C[5,5a,6]C[5,5]O[5,6])(OH)(H)2	O[5,6](C[5,5,6]C[5,5a,6]C[5,5]C)(C[5,6]C[5,5,6]N[6a]H)	C[5,5,6](C[5,5a,6]N[5,5a,6]C[5a])(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(CHHO){1|N<3>,2|N<2>,3|H<1>}	C(C[5,5,6]C[5,5a,6]C[5,5]O[5,6])(OH)(H)2	O[5,6](C[5,5,6]C[5,5a,6]C[5,5]C)(C[5,6]C[5,5,6]N[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	110.0670	0.000	1	110.0670	0.000	1	110.5505	0.468	2	110.5505	0.468	2	109.3651	2.453	61	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,6]	3:4:2:4:	4:2:1:1:	4:4:	C[5,5a,6]-3:C[5,5]-4:O[5,6]-2:C-4:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,5a,6]N[5,5a,6]N[5a])(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(CHHO)	C(C[5,5,6]C[5,5a,6]C[5,5]O[5,6])(OH)(H)2	O[5,6](C[5,5,6]C[5,5a,6]C[5,5]C)(C[5,6]C[5,5,6]N[6a]H)	C[5,5,6](C[5,5a,6]N[5,5a,6]N[5a])(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(CHHO){1|N<3>,2|H<1>,2|N<2>}	C(C[5,5,6]C[5,5a,6]C[5,5]O[5,6])(OH)(H)2	O[5,6](C[5,5,6]C[5,5a,6]C[5,5]C)(C[5,6]C[5,5,6]N[6a]H){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	111.0340	0.000	1	111.0340	0.000	1	110.5505	0.468	2	110.5505	0.468	2	109.3651	2.453	61	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,6]	4:2:2:4:	4:1:1:1:	4:2:	C[5,5]-4:O[5,6]-2:O[5,6]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:O[5,6]-2:	C[5,5,6](C[5,5]C[5,5,6]CH)(O[5,6]O[5,6])2(CH3)	C(C[5,5,6]C[5,5]O[5,6]2)(H)3	O[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])	C[5,5,6](C[5,5]C[5,5,6]CH)(O[5,6]O[5,6])2(CH3){1|C<4>}	C(C[5,5,6]C[5,5]O[5,6]2)(H)3	O[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6]){1|H<1>,1|O<2>,2|C<4>}	108.7926	0.522	8	108.7926	0.272	8	108.7926	0.272	8	108.8628	0.283	9	109.3651	2.453	61	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,6]	4:2:2:4:	4:1:1:1:	4:2:	C[5,6]-4:O[5,5]-2:O[5,6]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:O[5,6]-2:	C[5,5,6](C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(O[5,6]O[5,6])(CH3)	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(H)3	O[5,6](C[5,5,6]C[5,6]O[5,5]C)(O[5,6]C[5,5,6])	C[5,5,6](C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(O[5,6]O[5,6])(CH3){1|C<4>,1|H<1>,1|O<2>}	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(H)3	O[5,6](C[5,5,6]C[5,6]O[5,5]C)(O[5,6]C[5,5,6]){1|H<1>,1|O<2>,2|C<4>}	109.4240	0.000	1	109.4240	0.000	1	109.4240	0.000	1	108.8628	0.283	9	109.3651	2.453	61	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,6]	4:2:2:4:	4:1:1:1:	4:4:	C[5,5,6]-4:O[5,5]-2:O[5,6]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]C)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(CH3)	C(C[5,5,6]C[5,5,6]O[5,5]O[5,6])(H)3	O[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]C)(O[5,5]C[5,5,6])(O[5,6]C[5,6])(CH3){1|C<4>,1|O<2>,4|H<1>}	C(C[5,5,6]C[5,5,6]O[5,5]O[5,6])(H)3	O[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]HH){1|H<1>,1|O<2>,2|C<4>}	111.0210	0.000	1	111.0210	0.000	1	111.0210	0.000	1	109.9950	2.422	20	109.3651	2.453	61	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,6]	4:2:2:4:	4:1:1:1:	4:4:	C[5,5,6]-4:O[5,6]-2:O[5,6]-2:C-4:	C[5,5,6]-4:F-1:F-1:F-1:	C[5,5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]C[6a])(O[5,6]C[5,5,6,6])(O[5,6]C[5,6,6])(CF3)	C(C[5,5,6]C[5,5,6]O[5,6]2)(F)3	O[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6a])(C[5,5,6]C[5,5,6]O[5,6]C)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]C[6a])(O[5,6]C[5,5,6,6])(O[5,6]C[5,6,6])(CF3){1|C<4>,3|H<1>,5|C<3>}	C(C[5,5,6]C[5,5,6]O[5,6]2)(F)3	O[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6a])(C[5,5,6]C[5,5,6]O[5,6]C){1|H<1>,2|C<4>,6|C<3>}	106.8220	0.000	1	106.8220	0.000	1	106.8220	0.000	1	109.9950	2.422	20	109.3651	2.453	61	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,6]	4:2:2:4:	4:1:1:1:	4:4:	C[5,5,6]-4:O[5,6]-2:O[5,6]-2:C-4:	C[5,5,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]C[6a])(O[5,6]C[5,5,6,6])(O[5,6]C[5,6,6])(CF3)	C(C[5,5,6]C[5,5,6]O[5,6]2)(F)3	O[5,6](C[5,6,6]C[5,6,6]C[5,6]C[6a])(C[5,5,6]C[5,5,6]O[5,6]C)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]C[6a])(O[5,6]C[5,5,6,6])(O[5,6]C[5,6,6])(CF3){1|C<4>,3|H<1>,5|C<3>}	C(C[5,5,6]C[5,5,6]O[5,6]2)(F)3	O[5,6](C[5,6,6]C[5,6,6]C[5,6]C[6a])(C[5,5,6]C[5,5,6]O[5,6]C){2|C<4>,2|H<1>,5|C<3>}	105.3630	0.000	1	105.3630	0.000	1	105.3630	0.000	1	109.9950	2.422	20	109.3651	2.453	61	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,6]	4:2:2:4:	4:1:1:1:	4:4:	C[5,5,6]-4:O[5,6]-2:O[5,6]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(O[5,6]C[5,6,6])2(CH3)	C(C[5,5,6]C[5,5,6]O[5,6]2)(H)3	O[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[5,6]C[6,6]C)	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(O[5,6]C[5,6,6])2(CH3){1|C<3>,1|O<2>,3|C<4>}	C(C[5,5,6]C[5,5,6]O[5,6]2)(H)3	O[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[5,6]C[6,6]C){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	110.3150	0.000	1	110.3590	0.200	6	110.0952	0.247	12	109.9950	2.422	20	109.3651	2.453	61	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,6]	4:2:2:4:	4:1:1:1:	4:4:	C[5,5,6]-4:O[5,6]-2:O[5,6]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(O[5,6]C[5,6,6])2(CH3)	C(C[5,5,6]C[5,5,6]O[5,6]2)(H)3	O[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[5,6]C[6,6]C)	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(O[5,6]C[5,6,6])2(CH3){1|O<1>,4|C<4>}	C(C[5,5,6]C[5,5,6]O[5,6]2)(H)3	O[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[5,6]C[6,6]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	110.2100	0.000	1	110.3590	0.200	6	110.0952	0.247	12	109.9950	2.422	20	109.3651	2.453	61	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,6]	4:2:2:4:	4:1:1:1:	4:4:	C[5,5,6]-4:O[5,6]-2:O[5,6]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(O[5,6]C[5,6,6])2(CH3)	C(C[5,5,6]C[5,5,6]O[5,6]2)(H)3	O[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[5,6]C[6,6]C)	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(O[5,6]C[5,6,6])2(CH3){1|O<2>,4|C<4>}	C(C[5,5,6]C[5,5,6]O[5,6]2)(H)3	O[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[5,6]C[6,6]C){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	110.4073	0.567	4	110.3590	0.200	6	110.0952	0.247	12	109.9950	2.422	20	109.3651	2.453	61	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,6]	4:2:2:4:	4:1:1:1:	4:4:	C[5,5,6]-4:O[5,6]-2:O[5,6]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(O[5,6]C[5,6,6])2(CH3)	C(C[5,5,6]C[5,5,6]O[5,6]2)(H)3	O[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[6,6]O[5,6]C)	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(O[5,6]C[5,6,6])2(CH3){1|C<3>,1|O<2>,3|C<4>}	C(C[5,5,6]C[5,5,6]O[5,6]2)(H)3	O[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[6,6]O[5,6]C){1|H<1>,2|C<3>,2|C<4>}	109.5150	0.000	1	109.8313	0.177	6	110.0952	0.247	12	109.9950	2.422	20	109.3651	2.453	61	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,6]	4:2:2:4:	4:1:1:1:	4:4:	C[5,5,6]-4:O[5,6]-2:O[5,6]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(O[5,6]C[5,6,6])2(CH3)	C(C[5,5,6]C[5,5,6]O[5,6]2)(H)3	O[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[6,6]O[5,6]C)	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(O[5,6]C[5,6,6])2(CH3){1|O<1>,4|C<4>}	C(C[5,5,6]C[5,5,6]O[5,6]2)(H)3	O[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[6,6]O[5,6]C){1|H<1>,2|C<3>,2|C<4>}	110.3930	0.000	1	109.8313	0.177	6	110.0952	0.247	12	109.9950	2.422	20	109.3651	2.453	61	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,6]	4:2:2:4:	4:1:1:1:	4:4:	C[5,5,6]-4:O[5,6]-2:O[5,6]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(O[5,6]C[5,6,6])2(CH3)	C(C[5,5,6]C[5,5,6]O[5,6]2)(H)3	O[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[6,6]O[5,6]C)	C[5,5,6](C[5,5,6]C[5,6]O[5,6]C)(O[5,6]C[5,6,6])2(CH3){1|O<2>,4|C<4>}	C(C[5,5,6]C[5,5,6]O[5,6]2)(H)3	O[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[6,6]O[5,6]C){1|H<1>,2|C<3>,2|C<4>}	109.7700	0.388	4	109.8313	0.177	6	110.0952	0.247	12	109.9950	2.422	20	109.3651	2.453	61	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,6]	4:2:2:4:	4:1:1:1:	4:4:	C[5,5]-4:O[5,6]-2:O[5,6]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6,6]HO)(O[5,6]C[5,6,6])(O[5,6]C[5,6])(CH3)	C(C[5,5,6]C[5,5]O[5,6]2)(H)3	O[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]O[5,6]C)	C[5,5,6](C[5,5]C[5,5,6,6]HO)(O[5,6]C[5,6,6])(O[5,6]C[5,6])(CH3){1|H<1>,1|O<1>,2|C<4>}	C(C[5,5,6]C[5,5]O[5,6]2)(H)3	O[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]O[5,6]C){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	111.4695	0.012	2	111.5640	0.090	4	111.5640	0.090	4	109.9950	2.422	20	109.3651	2.453	61	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,6]	4:2:2:4:	4:1:1:1:	4:4:	C[5,5]-4:O[5,6]-2:O[5,6]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5,6,6]HO)(O[5,6]C[5,6,6])(O[5,6]C[5,6])(CH3)	C(C[5,5,6]C[5,5]O[5,6]2)(H)3	O[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]O[5,6]C)	C[5,5,6](C[5,5]C[5,5,6,6]HO)(O[5,6]C[5,6,6])(O[5,6]C[5,6])(CH3){1|H<1>,1|O<1>,2|C<4>}	C(C[5,5,6]C[5,5]O[5,6]2)(H)3	O[5,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[5,5,6]C[5,5]O[5,6]C){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	111.6585	0.483	2	111.5640	0.090	4	111.5640	0.090	4	109.9950	2.422	20	109.3651	2.453	61	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,6]	4:2:2:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5,5]-2:O[5,6]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,5,6](C[5,6]C[5,6]CC)(O[5,5]C[5,5,6])(O[5,6]C[5,6,6])(CH3)	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(H)3	O[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6,6]C[5,5,6]C[6]2)	C[5,5,6](C[5,6]C[5,6]CC)(O[5,5]C[5,5,6])(O[5,6]C[5,6,6])(CH3){1|H<1>,1|O<1>,2|C<3>}	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(H)3	O[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6,6]C[5,5,6]C[6]2){1|H<1>,3|C<3>,4|C<4>}	109.2960	0.000	1	109.2960	0.000	1	109.2960	0.000	1	109.9950	2.422	20	109.3651	2.453	61	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,6]	4:2:2:4:	4:2:1:1:	4:2:	C[5,6]-4:O[5,5]-2:O[5,6]-2:C-4:	C[5,5,6]-4:C-2:H-1:H-1:	C[5,5,6]-4:O[5,6]-2:	C[5,5,6](C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(O[5,6]O[5,6])(CCHH)	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(CN)(H)2	O[5,6](C[5,5,6]C[5,6]O[5,5]C)(O[5,6]C[5,5,6])	C[5,5,6](C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(O[5,6]O[5,6])(CCHH){1|C<4>,1|H<1>,1|O<2>}	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(CN)(H)2	O[5,6](C[5,5,6]C[5,6]O[5,5]C)(O[5,6]C[5,5,6]){1|H<1>,1|O<2>,2|C<4>}	107.3130	0.000	1	107.3130	0.000	1	107.3130	0.000	1	107.3130	0.000	1	109.3651	2.453	61	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,6]	4:2:2:4:	4:3:1:1:	4:4:	C[5,6]-4:O[5,5]-2:O[5,6]-2:C-4:	C[5,5,6]-4:C-3:H-1:H-1:	C[5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6,6]HO)(O[5,5]C[5,5,6,6])(O[5,6]C[5,6,6])(CCHH)	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(CCO)(H)2	O[5,6](C[5,6,6]C[5,5,6,6]C[6,6]H)(C[5,5,6]C[5,6]O[5,5]C)	C[5,5,6](C[5,6]C[5,6,6]HO)(O[5,5]C[5,5,6,6])(O[5,6]C[5,6,6])(CCHH){1|C<4>,1|O<2>,3|H<1>}	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(CCO)(H)2	O[5,6](C[5,6,6]C[5,5,6,6]C[6,6]H)(C[5,5,6]C[5,6]O[5,5]C){2|C<4>,2|O<2>,3|H<1>}	112.6070	0.000	1	112.6070	0.000	1	112.6070	0.000	1	112.6070	0.000	1	109.3651	2.453	61	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,6]	4:2:2:4:	4:4:1:1:	4:4:	C[5,6]-4:O[5,5]-2:O[5,6]-2:C-4:	C[5,5,6]-4:C-4:H-1:H-1:	C[5,6,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,6]C[5,6,6]HO)(O[5,5]C[5,5,6,6])(O[5,6]C[5,6,6])(CCHH)	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(CHHO)(H)2	O[5,6](C[5,6,6]C[5,5,6,6]C[6,6]H)(C[5,5,6]C[5,6]O[5,5]C)	C[5,5,6](C[5,6]C[5,6,6]HO)(O[5,5]C[5,5,6,6])(O[5,6]C[5,6,6])(CCHH){1|C<4>,1|O<2>,3|H<1>}	C(C[5,5,6]C[5,6]O[5,5]O[5,6])(CHHO)(H)2	O[5,6](C[5,6,6]C[5,5,6,6]C[6,6]H)(C[5,5,6]C[5,6]O[5,5]C){2|C<4>,2|O<2>,3|H<1>}	110.9290	0.000	1	110.9290	0.000	1	110.9290	0.000	1	110.9290	0.000	1	109.3651	2.453	61	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,6]	4:2:2:4:	4:4:4:4:	4:4:	C[5,5,6]-4:O[5,6]-2:O[5,6]-2:C-4:	C[5,5,6]-4:C-4:C-4:C-4:	C[5,5,6]-4:C[5,6,6]-4:	C[5,5,6](C[5,5,6]C[5,6]2H)(O[5,6]C[5,6,6])2(CC3)	C(C[5,5,6]C[5,5,6]O[5,6]2)(CH3)3	O[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[5,6]C[6,6]C)	C[5,5,6](C[5,5,6]C[5,6]2H)(O[5,6]C[5,6,6])2(CC3){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[5,5,6]C[5,5,6]O[5,6]2)(CH3)3	O[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[5,6]C[6,6]C){1|C<3>,2|C<4>,4|H<1>}	110.5050	0.351	2	110.5050	0.123	2	110.4913	0.121	4	110.4913	0.121	4	109.3651	2.453	61	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,6]	4:2:2:4:	4:4:4:4:	4:4:	C[5,5,6]-4:O[5,6]-2:O[5,6]-2:C-4:	C[5,5,6]-4:C-4:C-4:C-4:	C[5,5,6]-4:C[5,6,6]-4:	C[5,5,6](C[5,5,6]C[5,6]2H)(O[5,6]C[5,6,6])2(CC3)	C(C[5,5,6]C[5,5,6]O[5,6]2)(CH3)3	O[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[5,6]C[6,6]O)	C[5,5,6](C[5,5,6]C[5,6]2H)(O[5,6]C[5,6,6])2(CC3){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[5,5,6]C[5,5,6]O[5,6]2)(CH3)3	O[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[5,6]C[6,6]O){2|C<3>,2|C<4>,3|H<1>}	110.4775	0.490	2	110.4775	0.240	2	110.4913	0.121	4	110.4913	0.121	4	109.3651	2.453	61	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,6]	4:3:2:4:	4:1:1:1:	4:3:	C[5,5]-4:C[5,6]-3:O[5,6]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:N[5,6]-3:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]C)(O[5,6]N[5,6])(CH3)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(H)3	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(N[5,6]C[5,5,6]C)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]C)(O[5,6]N[5,6])(CH3){1|C<3>,2|C<4>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(H)3	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(N[5,6]C[5,5,6]C){1|C<3>,4|C<4>}	107.1465	0.708	2	107.1465	0.501	2	107.1465	0.501	2	107.1465	0.501	2	109.3651	2.453	61	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,6]	4:3:2:4:	4:4:3:1:	4:2:	C[5,5,6]-4:C[5,6]-3:O[5,6]-2:C-4:	C[5,5,6]-4:C-4:C-3:H-1:	C[5,5,6]-4:O[5,6]-2:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]C)(C[5,6]C[5,6]H)(O[5,6]O[5,6])(CCCH)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,6])(CH3)(CCO)(H)	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(O[5,6]C[5,5,6,6])	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]C)(C[5,6]C[5,6]H)(O[5,6]O[5,6])(CCCH){1|O<2>,2|C<4>,2|H<1>}	C(C[5,5,6]C[5,5,6]C[5,6]O[5,6])(CH3)(CCO)(H)	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(O[5,6]C[5,5,6,6]){1|C<3>,1|H<1>,3|C<4>}	104.7020	0.000	1	104.7020	0.000	1	104.7020	0.000	1	104.7020	0.000	1	109.3651	2.453	61	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,6]	4:4:2:4:	4:1:1:1:	4:4:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,3x6]HH)(O[5,6]C[5,6,6])(CH3)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,6])(H)3	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[3x6]C[5,6]H)	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,3x6]HH)(O[5,6]C[5,6,6])(CH3){1|C<3>,1|C<4>,5|H<1>}	C(C[5,5,6]C[5,5,6]C[5,6]O[5,6])(H)3	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[3x6]C[5,6]H){3|C<4>,6|H<1>}	108.2945	0.045	2	107.9990	0.438	7	108.1201	0.389	9	108.4055	0.778	11	109.3651	2.453	61	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,6]	4:4:2:4:	4:1:1:1:	4:4:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,3x6]HH)(O[5,6]C[5,6,6])(CH3)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,6])(H)3	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[3x6]C[5,6]H)	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,3x6]HH)(O[5,6]C[5,6,6])(CH3){1|O<1>,2|C<4>,3|H<1>}	C(C[5,5,6]C[5,5,6]C[5,6]O[5,6])(H)3	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[3x6]C[5,6]H){1|O<1>,3|C<4>,4|H<1>}	108.0360	0.000	1	107.9990	0.438	7	108.1201	0.389	9	108.4055	0.778	11	109.3651	2.453	61	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,6]	4:4:2:4:	4:1:1:1:	4:4:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,3x6]HH)(O[5,6]C[5,6,6])(CH3)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,6])(H)3	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[3x6]C[5,6]H)	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,3x6]HH)(O[5,6]C[5,6,6])(CH3){2|C<4>,5|H<1>}	C(C[5,5,6]C[5,5,6]C[5,6]O[5,6])(H)3	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[3x6]C[5,6]H){3|C<4>,6|H<1>}	107.8420	0.885	4	107.9990	0.438	7	108.1201	0.389	9	108.4055	0.778	11	109.3651	2.453	61	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,6]	4:4:2:4:	4:1:1:1:	4:4:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(CH3)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,6])(H)3	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[5,6]C[6,6]H)	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(CH3){1|O<2>,2|C<4>,4|H<1>}	C(C[5,5,6]C[5,5,6]C[5,6]O[5,6])(H)3	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[5,6]C[6,6]H){1|C<3>,2|C<4>,6|H<1>}	108.6440	0.000	1	108.5440	0.020	2	108.1201	0.389	9	108.4055	0.778	11	109.3651	2.453	61	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,6]	4:4:2:4:	4:1:1:1:	4:4:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(CH3)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,6])(H)3	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[5,6]C[6,6]H)	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[5,6,6]HH)(O[5,6]C[5,6,6])(CH3){1|O<2>,2|C<4>,4|H<1>}	C(C[5,5,6]C[5,5,6]C[5,6]O[5,6])(H)3	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[5,6]C[6,6]H){3|C<4>,6|H<1>}	108.4440	0.000	1	108.5440	0.020	2	108.1201	0.389	9	108.4055	0.778	11	109.3651	2.453	61	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,6]	4:4:2:4:	4:1:1:1:	4:4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(CH3)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(H)3	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(CH3){2|C<4>,3|H<1>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(H)3	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC){1|C<4>,1|O<2>,4|H<1>}	109.1270	0.000	1	109.1270	0.000	1	109.1270	0.000	1	108.4055	0.778	11	109.3651	2.453	61	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,6]	4:4:2:4:	4:1:1:1:	4:4:	C[5,6]-4:C[5,5]-4:O[5,6]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(CH3)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(H)3	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(O[5,6]C[5,6])(CH3){1|C<4>,2|C<3>,2|H<1>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(H)3	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH){1|C<4>,1|N<3>,2|H<1>,2|O<2>}	110.2530	0.000	1	110.2530	0.000	1	110.2530	0.000	1	108.4055	0.778	11	109.3651	2.453	61	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,6]	4:4:2:4:	4:2:1:1:	4:4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(CHHO)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OSi)(H)2	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]C)	C[5,5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]O[5]H)(O[5,6]C[5,5,6])(CHHO){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OSi)(H)2	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,5,6]C[5,5]C[5,6]C){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	108.2820	0.000	1	108.2820	0.000	1	108.2820	0.000	1	109.5814	1.553	9	109.3651	2.453	61	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,6]	4:4:2:4:	4:2:1:1:	4:4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HN)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OH)(H)2	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N[6a]H)	C[5,5,6](C[5,5]C[5,5,6]HN)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO){1|N<3>,2|H<1>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OH)(H)2	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N[6a]H){1|N<2>,1|O<2>,2|C<3>,4|H<1>}	106.9510	0.000	1	106.9510	0.000	1	109.7439	1.504	8	109.5814	1.553	9	109.3651	2.453	61	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,6]	4:4:2:4:	4:2:1:1:	4:4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]N[5,6]HH)(O[5,6]C[5,6])(CHHO)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OH)(H)2	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N[6a]H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]N[5,6]HH)(O[5,6]C[5,6])(CHHO){1|C<3>,1|N<3>,2|H<1>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OH)(H)2	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N[6a]H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	110.0220	0.000	1	110.0220	0.000	1	109.7439	1.504	8	109.5814	1.553	9	109.3651	2.453	61	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,6]	4:4:2:4:	4:2:1:1:	4:4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]CH)(O[5,6]C[5,6])(CHHO)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OH)(H)2	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N[6a]H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]CH)(O[5,6]C[5,6])(CHHO){1|N<3>,2|H<1>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OH)(H)2	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N[6a]H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	109.8060	0.000	1	109.8060	0.000	1	109.7439	1.504	8	109.5814	1.553	9	109.3651	2.453	61	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,6]	4:4:2:4:	4:2:1:1:	4:4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OH)(H)2	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C[6a]H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO){1|C<3>,2|H<1>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OH)(H)2	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C[6a]H){2|C<3>,2|O<2>,4|H<1>}	110.4350	0.000	1	110.4350	0.000	1	109.7439	1.504	8	109.5814	1.553	9	109.3651	2.453	61	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,6]	4:4:2:4:	4:2:1:1:	4:4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OH)(H)2	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N[5a]H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO){1|N<3>,2|H<1>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OH)(H)2	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N[5a]H){1|C<3>,1|N<2>,2|O<2>,4|H<1>}	110.1175	1.169	2	110.1175	1.366	2	109.7439	1.504	8	109.5814	1.553	9	109.3651	2.453	61	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,6]	4:4:2:4:	4:2:1:1:	4:4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OH)(H)2	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N[6a]H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO){1|N<3>,2|H<1>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OH)(H)2	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N[6a]H){2|C<3>,2|O<2>,4|H<1>}	110.3160	0.000	1	110.3160	0.000	1	109.7439	1.504	8	109.5814	1.553	9	109.3651	2.453	61	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5,6]	4:4:2:4:	4:2:1:1:	4:4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OS)(H)2	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N[6a]H)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]HH)(O[5,6]C[5,6])(CHHO){1|C<4>,1|H<1>,1|N<3>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OS)(H)2	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N[6a]H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	110.1860	0.000	1	110.1860	0.000	1	109.7439	1.504	8	109.5814	1.553	9	109.3651	2.453	61	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[3x5,6]-4:C[5,6]-4:O[5]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]P[5,5,6]C[6a]H)(O[5]C[5])(CH3)	C(C[5,5,6]C[3x5,6]C[5,6]O[5])(H)3	O[5](C[5,5,6]C[3x5,6]C[5,6]C)(C[5]C[5,5,6]HH)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]P[5,5,6]C[6a]H)(O[5]C[5])(CH3){1|C<4>,1|S<1>,2|C<3>,5|H<1>}	C(C[5,5,6]C[3x5,6]C[5,6]O[5])(H)3	O[5](C[5,5,6]C[3x5,6]C[5,6]C)(C[5]C[5,5,6]HH){1|C<3>,1|P<4>,2|H<1>,3|C<4>}	106.9350	0.371	2	106.9350	0.137	2	107.5689	0.295	7	108.2987	1.473	12	108.2987	1.473	12	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[3x5,6]-4:C[5,6]-4:O[5]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]P[5,5,6]HH)(O[5]C[5])(CH3)	C(C[5,5,6]C[3x5,6]C[5,6]O[5])(H)3	O[5](C[5,5,6]C[3x5,6]C[5,6]C)(C[5]C[5,5,6]HH)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C)(C[5,6]P[5,5,6]HH)(O[5]C[5])(CH3){1|C<4>,1|S<1>,5|H<1>}	C(C[5,5,6]C[3x5,6]C[5,6]O[5])(H)3	O[5](C[5,5,6]C[3x5,6]C[5,6]C)(C[5]C[5,5,6]HH){1|P<4>,3|C<4>,3|H<1>}	107.8224	0.357	5	107.8224	0.128	5	107.5689	0.295	7	108.2987	1.473	12	108.2987	1.473	12	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,5,6,6]-4:C[5,5,6]-4:O[5]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:	C[5,5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]C)(C[5,5,6]C[3x5,6]C[5,5]H)(O[5]C[5,5])(CH3)	C(C[5,5,6]C[5,5,6,6]C[5,5,6]O[5])(H)3	O[5](C[5,5,6]C[5,5,6,6]C[5,5,6]C)(C[5,5]C[5,5]C[5]H)	C[5,5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]C)(C[5,5,6]C[3x5,6]C[5,5]H)(O[5]C[5,5])(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C(C[5,5,6]C[5,5,6,6]C[5,5,6]O[5])(H)3	O[5](C[5,5,6]C[5,5,6,6]C[5,5,6]C)(C[5,5]C[5,5]C[5]H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	108.5210	0.646	2	108.5210	0.418	2	108.5210	0.418	2	108.2987	1.473	12	108.2987	1.473	12	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]O[5,5]O[5,6]C)(O[5]C[5])(CH3)	C(C[5,5,6]C[5,5,6]2O[5])(H)3	O[5](C[5,5,6]C[5,5,6]2C)(C[5]O[5]CC)	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]O[5,5]O[5,6]C)(O[5]C[5])(CH3){1|H<1>,3|C<4>}	C(C[5,5,6]C[5,5,6]2O[5])(H)3	O[5](C[5,5,6]C[5,5,6]2C)(C[5]O[5]CC){1|H<1>,2|C<4>,2|O<2>}	111.1530	0.000	1	111.1530	0.000	1	111.1530	0.000	1	108.2987	1.473	12	108.2987	1.473	12	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,5,6]-4:C[5,6]-4:O[5]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:	C[5,5,6](C[5,5,6]C[5,6,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(CH3)	C(C[5,5,6]C[5,5,6]C[5,6]O[5])(H)3	O[5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6,6]HH)	C[5,5,6](C[5,5,6]C[5,6,6]C[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C(C[5,5,6]C[5,5,6]C[5,6]O[5])(H)3	O[5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6,6]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	109.2035	0.631	2	109.2035	0.399	2	109.2035	0.399	2	108.2987	1.473	12	108.2987	1.473	12	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	3:2:3:4:	4:1:1:1:	4:4:	N[5,5]-3:O[5]-2:N[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:	C[5,5](N[5,5]C[5,5,6]O[5])(O[5]C[5,5,6])(N[5]C[5]Pt)(CH3)	C(C[5,5]N[5,5]N[5]O[5])(H)3	O[5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5,5]N[5]C)	C[5,5](N[5,5]C[5,5,6]O[5])(O[5]C[5,5,6])(N[5]C[5]Pt)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[5,5]N[5,5]N[5]O[5])(H)3	O[5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5,5]N[5]C){1|Pt<4>,1|C<3>,1|H<1>,1|O<2>,4|C<4>}	110.8530	0.007	2	110.8530	0.000	2	110.8530	0.000	2	110.8530	0.000	2	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	3:2:3:4:	4:4:1:1:	4:4:	N[5,5]-3:O[5]-2:N[5]-3:C-4:	C[5,5]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:	C[5,5](N[5,5]C[5,5,6]O[5])(O[5]C[5,5,6])(N[5]C[5]Pt)(CCHH)	C(C[5,5]N[5,5]N[5]O[5])(CH3)(H)2	O[5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5,5]N[5]C)	C[5,5](N[5,5]C[5,5,6]O[5])(O[5]C[5,5,6])(N[5]C[5]Pt)(CCHH){1|C<3>,2|C<4>,2|H<1>}	C(C[5,5]N[5,5]N[5]O[5])(CH3)(H)2	O[5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5,5]N[5]C){1|Pt<4>,1|C<3>,1|H<1>,1|O<2>,4|C<4>}	109.3675	0.120	2	108.7940	0.364	6	108.7940	0.364	6	108.7940	0.364	6	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	3:2:3:4:	4:4:1:1:	4:4:	N[5,5]-3:O[5]-2:N[5]-3:C-4:	C[5,5]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:	C[5,5](N[5,5]C[5,5,6]O[5])(O[5]C[5,5,6])(N[5]C[5]Pt)(CCHH)	C(C[5,5]N[5,5]N[5]O[5])(CH3)(H)2	O[5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5,5]N[5]C)	C[5,5](N[5,5]C[5,5,6]O[5])(O[5]C[5,5,6])(N[5]C[5]Pt)(CCHH){1|N<3>,2|C<4>,2|H<1>}	C(C[5,5]N[5,5]N[5]O[5])(CH3)(H)2	O[5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5,5]N[5]C){1|Pt<4>,1|C<3>,1|H<1>,1|O<2>,4|C<4>}	108.1635	0.565	2	108.7940	0.364	6	108.7940	0.364	6	108.7940	0.364	6	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	3:2:3:4:	4:4:1:1:	4:4:	N[5,5]-3:O[5]-2:N[5]-3:C-4:	C[5,5]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:	C[5,5](N[5,5]C[5,5,6]O[5])(O[5]C[5,5,6])(N[5]C[5]Pt)(CCHH)	C(C[5,5]N[5,5]N[5]O[5])(CH3)(H)2	O[5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5,5]N[5]C)	C[5,5](N[5,5]C[5,5,6]O[5])(O[5]C[5,5,6])(N[5]C[5]Pt)(CCHH){2|H<1>,3|C<4>}	C(C[5,5]N[5,5]N[5]O[5])(CH3)(H)2	O[5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5,5]N[5]C){1|Pt<4>,1|C<3>,1|H<1>,1|O<2>,4|C<4>}	108.8510	0.165	2	108.7940	0.364	6	108.7940	0.364	6	108.7940	0.364	6	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	3:3:2:4:	4:1:1:1:	4:4:	C[5,6a]-3:N[5,5]-3:O[5]-2:C-4:	C[5,5]-4:F-1:F-1:F-1:	C[5,5]-4:C[5,6]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6]S[5])(O[5]C[5,6])(CF3)	C(C[5,5]C[5,6a]N[5,5]O[5])(F)3	O[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6]C[5,6]C[6]C)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6]S[5])(O[5]C[5,6])(CF3){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	C(C[5,5]C[5,6a]N[5,5]O[5])(F)3	O[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6]C[5,6]C[6]C){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	107.4900	0.000	1	107.4900	0.000	1	107.4900	0.000	1	108.5377	3.685	6	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	3:3:2:4:	4:1:1:1:	4:4:	C[5,6a]-3:N[5,5]-3:O[5]-2:C-4:	C[5,5]-4:F-1:F-1:F-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(O[5]C[5])(CF3)	C(C[5,5]C[5,6a]N[5,5]O[5])(F)3	O[5](C[5,5]C[5,6a]N[5,5]C)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(O[5]C[5])(CF3){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C(C[5,5]C[5,6a]N[5,5]O[5])(F)3	O[5](C[5,5]C[5,6a]N[5,5]C)(C[5]C[5]HH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	105.5670	0.000	1	105.5670	0.000	1	105.5670	0.000	1	108.5377	3.685	6	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	3:3:2:4:	4:1:1:1:	4:4:	N[5,5]-3:C[5]-3:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]O)(O[5]C[5])(CH3)	C(C[5,5]N[5,5]C[5]O[5])(H)3	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)	C[5,5](N[5,5]C[5]2)(C[5]C[5]O)(O[5]C[5])(CH3){1|C<3>,1|O<1>,4|H<1>}	C(C[5,5]N[5,5]C[5]O[5])(H)3	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH){1|H<1>,1|O<2>,3|C<3>}	111.0310	0.000	1	111.0310	0.000	1	111.0310	0.000	1	108.5377	3.685	6	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	3:3:2:4:	4:1:1:1:	4:4:	N[5,5]-3:N[5]-3:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5,5](N[5,5]C[5]O[5])(N[5]C[5]Pt)(O[5]C[5])(CH3)	C(C[5,5]N[5,5]N[5]O[5])(H)3	O[5](C[5,5]N[5,5]N[5]C)(C[5]C[5]HH)	C[5,5](N[5,5]C[5]O[5])(N[5]C[5]Pt)(O[5]C[5])(CH3){1|N<3>,2|C<4>,2|H<1>}	C(C[5,5]N[5,5]N[5]O[5])(H)3	O[5](C[5,5]N[5,5]N[5]C)(C[5]C[5]HH){1|Pt<4>,1|C<3>,1|O<2>,2|C<4>}	108.1450	0.000	1	109.0460	0.755	3	109.0460	0.755	3	108.5377	3.685	6	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	3:3:2:4:	4:1:1:1:	4:4:	N[5,5]-3:N[5]-3:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5,5](N[5,5]C[5]O[5])(N[5]C[5]Pt)(O[5]C[5])(CH3)	C(C[5,5]N[5,5]N[5]O[5])(H)3	O[5](C[5,5]N[5,5]N[5]C)(C[5]C[5]HH)	C[5,5](N[5,5]C[5]O[5])(N[5]C[5]Pt)(O[5]C[5])(CH3){2|H<1>,3|C<4>}	C(C[5,5]N[5,5]N[5]O[5])(H)3	O[5](C[5,5]N[5,5]N[5]C)(C[5]C[5]HH){1|Pt<4>,1|C<3>,1|O<2>,2|C<4>}	109.4965	0.541	2	109.0460	0.755	3	109.0460	0.755	3	108.5377	3.685	6	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	3:3:2:4:	4:4:1:1:	4:4:	N[5,5]-3:N[5]-3:O[5]-2:C-4:	C[5,5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5,5](N[5,5]C[5]O[5])(N[5]C[5]Pt)(O[5]C[5])(CCHH)	C(C[5,5]N[5,5]N[5]O[5])(CH3)(H)2	O[5](C[5,5]N[5,5]N[5]C)(C[5]C[5]HH)	C[5,5](N[5,5]C[5]O[5])(N[5]C[5]Pt)(O[5]C[5])(CCHH){1|C<3>,2|C<4>,2|H<1>}	C(C[5,5]N[5,5]N[5]O[5])(CH3)(H)2	O[5](C[5,5]N[5,5]N[5]C)(C[5]C[5]HH){1|Pt<4>,1|C<3>,1|O<2>,2|C<4>}	109.6070	0.000	1	109.6070	0.000	1	109.6070	0.000	1	109.6070	0.000	1	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	3:3:4:2:	4:3:1:1:	4:4:	C[5,6a]-3:N[5,5]-3:C-4:O[5]-2:	C[5,5]-4:C[5a]-3:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(CC[5a]HH)(O[5]C[5])	C(C[5,5]C[5,6a]N[5,5]O[5])(C[5a]C[5a]O[5a])(H)2	O[5](C[5,5]C[5,6a]N[5,5]C)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(CC[5a]HH)(O[5]C[5]){1|O<1>,2|C<3>,5|H<1>}	C(C[5,5]C[5,6a]N[5,5]O[5])(C[5a]C[5a]O[5a])(H)2	O[5](C[5,5]C[5,6a]N[5,5]C)(C[5]C[5]HH){2|H<1>,3|C<3>}	109.0820	0.000	1	109.0820	0.000	1	109.0820	0.000	1	109.0820	0.000	1	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	3:4:2:4:	4:1:1:1:	4:4:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,5]-4:	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5,5])(CH3)	C(C[5,5]N[5,5]C[5]O[5])(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]C[5]C)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5,5])(CH3){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C(C[5,5]N[5,5]C[5]O[5])(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5,5]N[5,5]C[5]C){1|C<4>,3|C<3>,5|H<1>}	110.4720	0.000	1	110.4720	0.000	1	110.4720	0.000	1	110.9104	0.265	9	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	3:4:2:4:	4:1:1:1:	4:4:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3)	C(C[5,5]N[5,5]C[5]O[5])(H)3	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[5,5]N[5,5]C[5]O[5])(H)3	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	111.5640	0.000	1	111.5640	0.000	1	110.9652	0.272	8	110.9104	0.265	9	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	3:4:2:4:	4:1:1:1:	4:4:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3)	C(C[5,5]N[5,5]C[5]O[5])(H)3	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[5,5]N[5,5]C[5]O[5])(H)3	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH){2|C<3>,2|C<4>,2|O<2>}	110.8165	0.515	6	110.8797	0.249	7	110.9652	0.272	8	110.9104	0.265	9	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	3:4:2:4:	4:1:1:1:	4:4:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3)	C(C[5,5]N[5,5]C[5]O[5])(H)3	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3){1|C<3>,1|O<1>,3|H<1>}	C(C[5,5]N[5,5]C[5]O[5])(H)3	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	111.2590	0.000	1	110.8797	0.249	7	110.9652	0.272	8	110.9104	0.265	9	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	3:4:2:4:	4:4:1:1:	4:4:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	C[5,5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])(CCHH)	C(C[5,5]N[5,5]C[5]O[5])(CC[5]HH)(H)2	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])(CCHH){1|C<3>,1|O<1>,5|H<1>}	C(C[5,5]N[5,5]C[5]O[5])(CC[5]HH)(H)2	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	106.3510	0.000	1	106.3510	0.000	1	106.3510	0.000	1	106.3510	0.000	1	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:2:2:4:	4:1:1:1:	4:4:	C[3x5,6,6]-4:O[5]-2:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,5]-4:	C[5,5](C[3x5,6,6]C[3x5,6,6]C[5,3x6]C[5])(O[5]C[5,6,6])(O[5]C[5,5])(CH3)	C(C[5,5]C[3x5,6,6]O[5]2)(H)3	O[5](C[5,5]C[3x5,6,6]O[5]C)2	C[5,5](C[3x5,6,6]C[3x5,6,6]C[5,3x6]C[5])(O[5]C[5,6,6])(O[5]C[5,5])(CH3){1|O<1>,2|O<2>,3|C<3>,4|C<4>}	C(C[5,5]C[3x5,6,6]O[5]2)(H)3	O[5](C[5,5]C[3x5,6,6]O[5]C)2{2|C<3>,4|C<4>}	108.3440	0.000	1	108.3440	0.000	1	108.3440	0.000	1	109.8075	1.931	6	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:2:2:4:	4:1:1:1:	4:4:	C[3x5,6,6]-4:O[5]-2:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:	C[5,5](C[3x5,6,6]C[3x5,6,6]C[5,3x6]C[5])(O[5]C[5,6,6])(O[5]C[5,5])(CH3)	C(C[5,5]C[3x5,6,6]O[5]2)(H)3	O[5](C[5,6,6]C[5,3x6]C[5,6,6]C)(C[5,5]C[3x5,6,6]O[5]C)	C[5,5](C[3x5,6,6]C[3x5,6,6]C[5,3x6]C[5])(O[5]C[5,6,6])(O[5]C[5,5])(CH3){1|O<1>,2|O<2>,3|C<3>,4|C<4>}	C(C[5,5]C[3x5,6,6]O[5]2)(H)3	O[5](C[5,6,6]C[5,3x6]C[5,6,6]C)(C[5,5]C[3x5,6,6]O[5]C){2|C<3>,3|C<4>,3|O<2>}	109.3310	0.000	1	109.3310	0.000	1	109.3310	0.000	1	109.8075	1.931	6	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:2:2:4:	4:1:1:1:	4:4:	C[5,5,6]-4:O[5]-2:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(O[5]C[5,5,6])(O[5]C[5])(CH3)	C(C[5,5]C[5,5,6]O[5]2)(H)3	O[5](C[5,5,6]C[5,6]O[5,6]O[5])(C[5,5]C[5,5,6]O[5]C)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(O[5]C[5,5,6])(O[5]C[5])(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(C[5,5]C[5,5,6]O[5]2)(H)3	O[5](C[5,5,6]C[5,6]O[5,6]O[5])(C[5,5]C[5,5,6]O[5]C){1|C<3>,1|H<1>,5|C<4>}	111.3965	0.231	2	111.3965	0.053	2	111.3965	0.053	2	109.8075	1.931	6	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:2:2:4:	4:1:1:1:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6a]O[5]H)(O[5]C[5,6a])(O[5]C[5])(CH3)	C(C[5,5]C[5,5]O[5]2)(H)3	O[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,6a]O[5]H)(O[5]C[5,6a])(O[5]C[5])(CH3){2|C<3>,2|C<4>}	C(C[5,5]C[5,5]O[5]2)(H)3	O[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC){1|H<1>,2|C<3>}	110.0300	0.000	1	110.0300	0.000	1	109.1885	1.416	2	109.8075	1.931	6	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:2:2:4:	4:1:1:1:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]N[5]C)(O[5]C[5])2(CH3)	C(C[5,5]C[5,5]O[5]2)(H)3	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[6a]C[5]H)	C[5,5](C[5,5]C[5]N[5]C)(O[5]C[5])2(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[5,5]C[5,5]O[5]2)(H)3	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[6a]C[5]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	108.3470	0.000	1	108.3470	0.000	1	109.1885	1.416	2	109.8075	1.931	6	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:2:2:4:	4:2:1:1:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(CHHO)	C(C[5,5]C[5,5]O[5]2)(OH)(H)2	O[5](C[5,5]C[5,5]O[5]C)(C[5,6]C[5,6]C[6]H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(CHHO){1|O<2>,2|H<1>,3|C<4>}	C(C[5,5]C[5,5]O[5]2)(OH)(H)2	O[5](C[5,5]C[5,5]O[5]C)(C[5,6]C[5,6]C[6]H){1|C<4>,3|O<2>,4|H<1>}	107.4280	0.000	1	107.4280	0.000	1	107.4280	0.000	1	108.6338	3.580	6	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:2:2:4:	4:2:1:1:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(CHHO)	C(C[5,5]C[5,5]O[5]2)(OH)(H)2	O[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(CHHO){1|O<2>,2|H<1>,3|C<4>}	C(C[5,5]C[5,5]O[5]2)(OH)(H)2	O[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC){1|H<1>,2|C<4>}	109.6860	0.000	1	109.6860	0.000	1	108.8750	4.039	5	108.6338	3.580	6	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:2:2:4:	4:2:1:1:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CHHO)	C(C[5,5]C[5,5]O[5]2)(OC)(H)2	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CHHO){1|O<2>,2|H<1>,3|C<4>}	C(C[5,5]C[5,5]O[5]2)(OC)(H)2	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<2>}	106.0830	0.000	1	106.0830	0.000	1	108.8750	4.039	5	108.6338	3.580	6	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:2:2:4:	4:2:1:1:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CHHO)	C(C[5,5]C[5,5]O[5]2)(OC)(H)2	O[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CHHO){1|O<2>,2|H<1>,3|C<4>}	C(C[5,5]C[5,5]O[5]2)(OC)(H)2	O[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC){1|H<1>,2|C<4>}	110.5230	0.000	1	110.5230	0.000	1	108.8750	4.039	5	108.6338	3.580	6	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:2:2:4:	4:2:1:1:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CHHO)	C(C[5,5]C[5,5]O[5]2)(OH)(H)2	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CHHO){1|O<2>,2|H<1>,3|C<4>}	C(C[5,5]C[5,5]O[5]2)(OH)(H)2	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<2>}	107.4710	0.000	1	107.4710	0.000	1	108.8750	4.039	5	108.6338	3.580	6	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:2:2:4:	4:2:1:1:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CHHO)	C(C[5,5]C[5,5]O[5]2)(OH)(H)2	O[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CHHO){1|O<2>,2|H<1>,3|C<4>}	C(C[5,5]C[5,5]O[5]2)(OH)(H)2	O[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC){1|H<1>,2|C<4>}	110.6120	0.000	1	110.6120	0.000	1	108.8750	4.039	5	108.6338	3.580	6	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:2:2:4:	4:2:2:1:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C[5,5]-4:C-2:O-2:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CCHO)	C(C[5,5]C[5,5]O[5]2)(CN)(OS)(H)	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CCHO){1|O<2>,2|H<1>,3|C<4>}	C(C[5,5]C[5,5]O[5]2)(CN)(OS)(H)	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<2>}	108.0960	0.000	1	108.0960	0.000	1	108.0660	0.002	2	108.0660	0.002	2	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:2:2:4:	4:2:2:1:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C[5,5]-4:C-2:O-2:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CCHO)	C(C[5,5]C[5,5]O[5]2)(CN)(OS)(H)	O[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CCHO){1|O<2>,2|H<1>,3|C<4>}	C(C[5,5]C[5,5]O[5]2)(CN)(OS)(H)	O[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC){1|H<1>,2|C<4>}	108.0360	0.000	1	108.0360	0.000	1	108.0660	0.002	2	108.0660	0.002	2	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:2:2:4:	4:3:1:1:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C[5,5]-4:C-3:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(CCHH)	C(C[5,5]C[5,5]O[5]2)(CCO)(H)2	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]2H)(O[5]C[5])2(CCHH){1|C<4>,1|O<1>,5|H<1>}	C(C[5,5]C[5,5]O[5]2)(CCO)(H)2	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]HH){1|C<3>,2|C<4>,2|H<1>}	108.0540	0.000	1	108.0540	0.000	1	108.0540	0.000	1	106.8810	1.034	3	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:2:2:4:	4:3:1:1:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C[5,5]-4:O-3:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CHHO)	C(C[5,5]C[5,5]O[5]2)(OPtH)(H)2	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]CH)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CHHO){1|O<3>,2|H<1>,3|C<4>}	C(C[5,5]C[5,5]O[5]2)(OPtH)(H)2	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]CH){1|C<4>,1|O<2>,1|O<3>,2|H<1>}	106.3370	0.000	1	106.3370	0.000	1	106.2945	0.004	2	106.8810	1.034	3	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:2:2:4:	4:3:1:1:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C[5,5]-4:O-3:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CHHO)	C(C[5,5]C[5,5]O[5]2)(OPtH)(H)2	O[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CHHO){1|O<3>,2|H<1>,3|C<4>}	C(C[5,5]C[5,5]O[5]2)(OPtH)(H)2	O[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC){1|H<1>,2|C<4>}	106.2520	0.000	1	106.2520	0.000	1	106.2945	0.004	2	106.8810	1.034	3	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:2:2:4:	4:3:4:1:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C[5,5]-4:C-3:C-4:H-1:	C[5,5]-4:C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]C)(O[5]C[5,5])(O[5]C[5])(CCCH)	C(C[5,5]C[5,5]O[5]2)(CC[5]H)(CH3)(H)	O[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]C)	C[5,5](C[5,5]C[5,5]C[5]C)(O[5]C[5,5])(O[5]C[5])(CCCH){1|O<1>,2|C<4>,4|H<1>}	C(C[5,5]C[5,5]O[5]2)(CC[5]H)(CH3)(H)	O[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]C){1|C<3>,2|H<1>,5|C<4>}	108.5603	0.944	6	108.5603	0.890	6	108.5603	0.890	6	108.5603	0.890	6	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:2:2:4:	4:4:1:1:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C[5,5]-4:C-4:F-1:F-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CCFF)	C(C[5,5]C[5,5]O[5]2)(CF3)(F)2	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]CO)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CCFF){1|H<1>,2|O<2>,3|C<4>}	C(C[5,5]C[5,5]O[5]2)(CF3)(F)2	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]CO){1|C<4>,2|H<1>,2|O<2>}	107.3670	0.000	1	107.3670	0.000	1	108.7525	3.839	2	109.1983	2.516	3	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:2:2:4:	4:4:1:1:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C[5,5]-4:C-4:F-1:F-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CCFF)	C(C[5,5]C[5,5]O[5]2)(CF3)(F)2	O[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(O[5]C[5])2(CCFF){1|H<1>,2|O<2>,3|C<4>}	C(C[5,5]C[5,5]O[5]2)(CF3)(F)2	O[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC){1|H<1>,2|C<4>}	110.1380	0.000	1	110.1380	0.000	1	108.7525	3.839	2	109.1983	2.516	3	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:2:2:4:	4:4:1:1:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C[5,5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5]C)(O[5]C[5,5])(O[5]C[5])(CCHH)	C(C[5,5]C[5,5]O[5]2)(CH3)(H)2	O[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]C)	C[5,5](C[5,5]C[5,5]C[5]C)(O[5]C[5,5])(O[5]C[5])(CCHH){1|O<1>,2|C<4>,4|H<1>}	C(C[5,5]C[5,5]O[5]2)(CH3)(H)2	O[5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5,5]O[5]C){1|C<3>,2|H<1>,5|C<4>}	110.0900	0.000	1	110.0900	0.000	1	110.0900	0.000	1	109.1983	2.516	3	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:2:2:4:	4:4:2:1:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C[5,5]-4:C-4:O-2:H-1:	C[5,5]-4:C[5,6]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(CCHO)	C(C[5,5]C[5,5]O[5]2)(CCHO)(OH)(H)	O[5](C[5,5]C[5,5]O[5]C)(C[5,6]C[5,6]C[6]H)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(CCHO){1|O<2>,2|H<1>,3|C<4>}	C(C[5,5]C[5,5]O[5]2)(CCHO)(OH)(H)	O[5](C[5,5]C[5,5]O[5]C)(C[5,6]C[5,6]C[6]H){1|C<4>,3|O<2>,4|H<1>}	109.6500	0.000	1	109.6500	0.000	1	109.6500	0.000	1	108.5650	2.354	2	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:2:2:4:	4:4:2:1:	4:4:	C[5,5]-4:O[5]-2:O[5]-2:C-4:	C[5,5]-4:C-4:O-2:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(CCHO)	C(C[5,5]C[5,5]O[5]2)(CCHO)(OH)(H)	O[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)	C[5,5](C[5,5]C[5,6]O[5]H)(O[5]C[5,6])(O[5]C[5])(CCHO){1|O<2>,2|H<1>,3|C<4>}	C(C[5,5]C[5,5]O[5]2)(CCHO)(OH)(H)	O[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC){1|H<1>,2|C<4>}	107.4800	0.000	1	107.4800	0.000	1	107.4800	0.000	1	108.5650	2.354	2	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:2:2:4:	4:4:4:1:	4:4:	C[3x5,6,6]-4:O[5]-2:O[5]-2:C-4:	C[5,5]-4:C-4:C-4:H-1:	C[5,5]-4:C[5,5]-4:	C[5,5](C[3x5,6,6]C[3x5,6,6]C[5,3x6]C[5])(O[5]C[5,6,6])(O[5]C[5,5])(CCCH)	C(C[5,5]C[3x5,6,6]O[5]2)(CCHH)(CH3)(H)	O[5](C[5,5]C[3x5,6,6]O[5]C)2	C[5,5](C[3x5,6,6]C[3x5,6,6]C[5,3x6]C[5])(O[5]C[5,6,6])(O[5]C[5,5])(CCCH){1|H<1>,3|C<3>,3|C<4>,3|O<2>}	C(C[5,5]C[3x5,6,6]O[5]2)(CCHH)(CH3)(H)	O[5](C[5,5]C[3x5,6,6]O[5]C)2{2|C<3>,4|C<4>}	109.6310	0.000	1	109.6310	0.000	1	109.6310	0.000	1	109.2305	0.321	2	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:2:2:4:	4:4:4:1:	4:4:	C[3x5,6,6]-4:O[5]-2:O[5]-2:C-4:	C[5,5]-4:C-4:C-4:H-1:	C[5,6,6]-4:C[5,5]-4:	C[5,5](C[3x5,6,6]C[3x5,6,6]C[5,3x6]C[5])(O[5]C[5,6,6])(O[5]C[5,5])(CCCH)	C(C[5,5]C[3x5,6,6]O[5]2)(CCHH)(CH3)(H)	O[5](C[5,6,6]C[5,3x6]C[5,6,6]O)(C[5,5]C[3x5,6,6]O[5]C)	C[5,5](C[3x5,6,6]C[3x5,6,6]C[5,3x6]C[5])(O[5]C[5,6,6])(O[5]C[5,5])(CCCH){1|H<1>,3|C<3>,3|C<4>,3|O<2>}	C(C[5,5]C[3x5,6,6]O[5]2)(CCHH)(CH3)(H)	O[5](C[5,6,6]C[5,3x6]C[5,6,6]O)(C[5,5]C[3x5,6,6]O[5]C){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	108.8300	0.000	1	108.8300	0.000	1	108.8300	0.000	1	109.2305	0.321	2	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:2:3:4:	4:1:1:1:	4:4:	C[5,5,6]-4:O[5]-2:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:P[5,6]-4:	C[5,5](C[5,5,6]C[5,6]2C)(O[5]P[5,6])(C[5]C[5]C)(CH3)	C(C[5,5]C[5,5,6]C[5]O[5])(H)3	O[5](C[5,5]C[5,5,6]C[5]C)(P[5,6]C[5,6]O[6]Cr)	C[5,5](C[5,5,6]C[5,6]2C)(O[5]P[5,6])(C[5]C[5]C)(CH3){1|Cr<6>,1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C(C[5,5]C[5,5,6]C[5]O[5])(H)3	O[5](C[5,5]C[5,5,6]C[5]C)(P[5,6]C[5,6]O[6]Cr){1|H<1>,2|C<3>,4|C<4>}	105.3050	0.000	1	105.3050	0.000	1	105.6737	0.435	4	105.6737	0.435	4	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:2:3:4:	4:1:1:1:	4:4:	C[5,5,6]-4:O[5]-2:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:P[5,6]-4:	C[5,5](C[5,5,6]C[5,6]2C)(O[5]P[5,6])(C[5]C[5]C)(CH3)	C(C[5,5]C[5,5,6]C[5]O[5])(H)3	O[5](C[5,5]C[5,5,6]C[5]C)(P[5,6]C[5,6]O[6]Mo)	C[5,5](C[5,5,6]C[5,6]2C)(O[5]P[5,6])(C[5]C[5]C)(CH3){1|Mo<6>,1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C(C[5,5]C[5,5,6]C[5]O[5])(H)3	O[5](C[5,5]C[5,5,6]C[5]C)(P[5,6]C[5,6]O[6]Mo){1|H<1>,2|C<3>,4|C<4>}	105.3870	0.341	2	105.3870	0.116	2	105.6737	0.435	4	105.6737	0.435	4	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:2:3:4:	4:1:1:1:	4:4:	C[5,5,6]-4:O[5]-2:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:P[5,6]-4:	C[5,5](C[5,5,6]C[5,6]2C)(O[5]P[5,6])(C[5]C[5]C)(CH3)	C(C[5,5]C[5,5,6]C[5]O[5])(H)3	O[5](C[5,5]C[5,5,6]C[5]C)(P[5,6]C[5,6]O[6]W)	C[5,5](C[5,5,6]C[5,6]2C)(O[5]P[5,6])(C[5]C[5]C)(CH3){1|C<3>,1|H<1>,1|O<2>,1|W<6>,3|C<4>}	C(C[5,5]C[5,5,6]C[5]O[5])(H)3	O[5](C[5,5]C[5,5,6]C[5]C)(P[5,6]C[5,6]O[6]W){1|H<1>,2|C<3>,4|C<4>}	106.6160	0.000	1	106.6160	0.000	1	105.6737	0.435	4	105.6737	0.435	4	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:2:3:4:	4:3:1:1:	4:4:	C[5,5]-4:O[5]-2:N[5]-3:C-4:	C[5,5]-4:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:	C[5,5](C[5,5]C[5,6]C[5]H)(O[5]C[5,6])(N[5]C[5]H)(CC[6a]HH)	C(C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5,5]C[5,5]N[5]C)(C[5,6]C[5,6]2O)	C[5,5](C[5,5]C[5,6]C[5]H)(O[5]C[5,6])(N[5]C[5]H)(CC[6a]HH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[5,5]C[5,5]N[5]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5,5]C[5,5]N[5]C)(C[5,6]C[5,6]2O){2|O<2>,3|H<1>,4|C<3>}	108.2070	0.000	1	108.2070	0.000	1	108.2070	0.000	1	108.2070	0.000	1	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:2:3:4:	4:4:1:1:	4:4:	C[5,5,6]-4:O[5]-2:N[5]-3:C-4:	C[5,5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5,6]-4:	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(O[5]C[5,6])(N[5]C[5]H)(CCHH)	C(C[5,5]C[5,5,6]N[5]O[5])(CCCH)(H)2	O[5](C[5,5]C[5,5,6]N[5]C)(C[5,6]O[5,6]C[6]C)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(O[5]C[5,6])(N[5]C[5]H)(CCHH){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C(C[5,5]C[5,5,6]N[5]O[5])(CCCH)(H)2	O[5](C[5,5]C[5,5,6]N[5]C)(C[5,6]O[5,6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	109.9705	0.192	2	109.9705	0.037	2	109.9705	0.037	2	109.9705	0.037	2	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:3:2:4:	4:1:1:1:	4:4:	C[3,5,5]-4:N[5]-3:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[3,5,5]C[3,5]2C[6a])(N[5]C[5]S)(O[5]C[5])(CH3)	C(C[5,5]C[3,5,5]N[5]O[5])(H)3	O[5](C[5,5]C[3,5,5]N[5]C)(C[5]C[3,5]HH)	C[5,5](C[3,5,5]C[3,5]2C[6a])(N[5]C[5]S)(O[5]C[5])(CH3){2|C<3>,6|H<1>}	C(C[5,5]C[3,5,5]N[5]O[5])(H)3	O[5](C[5,5]C[3,5,5]N[5]C)(C[5]C[3,5]HH){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	108.7900	0.000	1	108.7900	0.000	1	108.7900	0.000	1	107.4853	3.453	7	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:3:2:4:	4:1:1:1:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(CH3)	C(C[5,5]C[5,5]C[5]O[5])(H)3	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]O[5]H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[5,5]C[5,5]C[5]O[5])(H)3	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]O[5]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	109.0620	0.000	1	109.0620	0.000	1	106.8692	2.157	4	107.4853	3.453	7	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:3:2:4:	4:1:1:1:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]P[5]C)(C[5]C[5]C)(O[5]C[5])(CH3)	C(C[5,5]C[5,5]C[5]O[5])(H)3	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]P[5]H)	C[5,5](C[5,5]C[5]P[5]C)(C[5]C[5]C)(O[5]C[5])(CH3){1|C<3>,1|F<1>,1|W<6>,2|C<4>,2|H<1>}	C(C[5,5]C[5,5]C[5]O[5])(H)3	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]P[5]H){1|F<1>,1|W<6>,3|C<3>,3|C<4>}	105.9950	0.000	1	106.1383	0.031	3	106.8692	2.157	4	107.4853	3.453	7	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:3:2:4:	4:1:1:1:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]P[5]C)(C[5]C[5]C)(O[5]C[5])(CH3)	C(C[5,5]C[5,5]C[5]O[5])(H)3	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]P[5]H)	C[5,5](C[5,5]C[5]P[5]C)(C[5]C[5]C)(O[5]C[5])(CH3){1|Cl<1>,1|Cr<6>,1|C<3>,2|C<4>,2|H<1>}	C(C[5,5]C[5,5]C[5]O[5])(H)3	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]P[5]H){1|Cl<1>,1|Cr<6>,3|C<3>,3|C<4>}	106.0870	0.000	1	106.1383	0.031	3	106.8692	2.157	4	107.4853	3.453	7	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:3:2:4:	4:1:1:1:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]P[5]C)(C[5]C[5]C)(O[5]C[5])(CH3)	C(C[5,5]C[5,5]C[5]O[5])(H)3	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]P[5]H)	C[5,5](C[5,5]C[5]P[5]C)(C[5]C[5]C)(O[5]C[5])(CH3){1|Cl<1>,1|Mo<6>,1|C<3>,2|C<4>,2|H<1>}	C(C[5,5]C[5,5]C[5]O[5])(H)3	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]P[5]H){1|Cl<1>,1|Mo<6>,3|C<3>,3|C<4>}	106.3330	0.000	1	106.1383	0.031	3	106.8692	2.157	4	107.4853	3.453	7	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:3:2:4:	4:1:1:1:	4:4:	C[5,5]-4:N[5]-3:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]H)(O[5]C[5])(CH3)	C(C[5,5]C[5,5]N[5]O[5])(H)3	O[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]H)(O[5]C[5])(CH3){4|C<3>,4|H<1>}	C(C[5,5]C[5,5]N[5]O[5])(H)3	O[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH){3|C<3>,3|H<1>}	105.7900	0.000	1	105.7900	0.000	1	105.7900	0.000	1	107.4853	3.453	7	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:3:2:4:	4:1:1:1:	4:4:	N[3x5]-4:C[5,6a]-3:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)	C(C[5,5]C[5,6a]N[3x5]O[5])(H)3	O[5](C[5,5]C[5,6a]N[3x5]C)(C[5]C[5,5]HH)	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C(C[5,5]C[5,6a]N[3x5]O[5])(H)3	O[5](C[5,5]C[5,6a]N[3x5]C)(C[5]C[5,5]HH){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	110.3400	0.000	1	110.3400	0.000	1	110.3400	0.000	1	107.4853	3.453	7	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:3:2:4:	4:2:1:1:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]2O)(C[5]O[5]O)(O[5]C[5])(CHHO)	C(C[5,5]C[5,5]C[5]O[5])(OH)(H)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]2O)(C[5]O[5]O)(O[5]C[5])(CHHO){1|O<2>,5|H<1>}	C(C[5,5]C[5,5]C[5]O[5])(OH)(H)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH){1|C<4>,1|H<1>,1|O<1>,3|O<2>}	109.1160	0.000	1	109.1160	0.000	1	109.9374	2.346	5	109.9374	2.346	5	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:3:2:4:	4:2:1:1:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(CHHO)	C(C[5,5]C[5,5]C[5]O[5])(OC)(H)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(CHHO){1|H<1>,3|C<4>}	C(C[5,5]C[5,5]C[5]O[5])(OC)(H)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	111.5440	0.574	2	111.5440	0.330	2	109.9374	2.346	5	109.9374	2.346	5	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:3:2:4:	4:2:1:1:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(CHHO)	C(C[5,5]C[5,5]C[5]O[5])(OH)(H)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(CHHO){1|H<1>,3|C<4>}	C(C[5,5]C[5,5]C[5]O[5])(OH)(H)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	108.3180	0.000	1	108.3180	0.000	1	109.9374	2.346	5	109.9374	2.346	5	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:3:2:4:	4:2:1:1:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(CHHO)	C(C[5,5]C[5,5]C[5]O[5])(OS)(H)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(CHHO){1|H<1>,3|C<4>}	C(C[5,5]C[5,5]C[5]O[5])(OS)(H)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	109.1650	0.000	1	109.1650	0.000	1	109.9374	2.346	5	109.9374	2.346	5	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:3:2:4:	4:2:2:1:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C[5,5]-4:O-2:C-2:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C)(O[5]C[5])(CCHO)	C(C[5,5]C[5,5]C[5]O[5])(OC[6a])(CC)(H)	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C)(O[5]C[5])(CCHO){2|C<4>,3|H<1>}	C(C[5,5]C[5,5]C[5]O[5])(OC[6a])(CC)(H)	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	107.9040	0.000	1	107.9040	0.000	1	107.9040	0.000	1	107.9040	0.000	1	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:3:2:4:	4:3:1:1:	4:4:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C[5,5]-4:C-3:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C[6])(O[5]C[5])(CCHH)	C(C[5,5]C[5,5]C[5]O[5])(CCC)(H)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C[6])(O[5]C[5])(CCHH){1|O<2>,2|H<1>,5|C<4>}	C(C[5,5]C[5,5]C[5]O[5])(CCC)(H)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC){1|C<3>,1|H<1>,2|C<4>}	111.0740	0.000	1	111.0740	0.000	1	111.0740	0.000	1	111.0740	0.000	1	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:3:2:4:	4:4:4:4:	4:3:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C[5,5]-4:C-4:C-4:C-4:	C[5,5]-4:S[5]-3:	C[5,5](C[5,5]C[5]O[5]C)(C[5]S[5]H)(O[5]S[5])(CC3)	C(C[5,5]C[5,5]C[5]O[5])(CH3)3	O[5](C[5,5]C[5,5]C[5]C)(S[5]O[5]S)	C[5,5](C[5,5]C[5]O[5]C)(C[5]S[5]H)(O[5]S[5])(CC3){1|O<1>,1|S<1>,2|H<1>}	C(C[5,5]C[5,5]C[5]O[5])(CH3)3	O[5](C[5,5]C[5,5]C[5]C)(S[5]O[5]S){1|H<1>,1|S<3>,2|C<4>}	104.6210	0.000	1	104.6210	0.000	1	104.6210	0.000	1	104.6210	0.000	1	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[3x5]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,5]-4:	C[5,5](C[3x5]C[5,5,6]C[5,5]O[5])(C[5]C[5]HH)(O[5]C[5,6])(CH3)	C(C[5,5]C[3x5]C[5]O[5])(H)3	O[5](C[5,6]C[5,5,6]C[6]H)(C[5,5]C[3x5]C[5]C)	C[5,5](C[3x5]C[5,5,6]C[5,5]O[5])(C[5]C[5]HH)(O[5]C[5,6])(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C(C[5,5]C[3x5]C[5]O[5])(H)3	O[5](C[5,6]C[5,5,6]C[6]H)(C[5,5]C[3x5]C[5]C){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	109.8620	0.000	1	109.8620	0.000	1	109.8620	0.000	1	108.9544	1.796	12	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,5,6,6]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5,6,6]C[5,3x6]C[5,6,6]H)(C[5]C[5,6,6]FF)(O[5]C[5])(CH3)	C(C[5,5]C[5,5,6,6]C[5]O[5])(H)3	O[5](C[5,5]C[5,5,6,6]C[5]C)(C[5]C[5,6,6]C[6a]O)	C[5,5](C[5,5,6,6]C[5,3x6]C[5,6,6]H)(C[5]C[5,6,6]FF)(O[5]C[5])(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[5,5]C[5,5,6,6]C[5]O[5])(H)3	O[5](C[5,5]C[5,5,6,6]C[5]C)(C[5]C[5,6,6]C[6a]O){2|C<3>,2|F<1>,2|H<1>,3|C<4>}	108.1130	0.000	1	108.1130	0.000	1	108.1130	0.000	1	108.9544	1.796	12	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,5]-4:C[5,6]-4:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,5]-4:	C[5,5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[5,6]C[6]C)(O[5]C[5,5])(CH3)	C(C[5,5]C[5,5]C[5,6]O[5])(H)3	O[5](C[5,5]C[5,5]C[5,6]C)(C[5,5]C[5,5]C[5]H)	C[5,5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[5,6]C[6]C)(O[5]C[5,5])(CH3){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C(C[5,5]C[5,5]C[5,6]O[5])(H)3	O[5](C[5,5]C[5,5]C[5,6]C)(C[5,5]C[5,5]C[5]H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	107.9665	0.395	2	107.9665	0.156	2	107.9665	0.156	2	108.9544	1.796	12	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,5]-4:C[5,6]-4:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,6]C[5]Br)(C[5,6]C[5,6]C[6]C)(O[5]C[5])(CH3)	C(C[5,5]C[5,5]C[5,6]O[5])(H)3	O[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HO)	C[5,5](C[5,5]C[5,6]C[5]Br)(C[5,6]C[5,6]C[6]C)(O[5]C[5])(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C(C[5,5]C[5,5]C[5,6]O[5])(H)3	O[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HO){1|Br<1>,1|C<3>,2|H<1>,3|C<4>}	106.9670	0.000	1	106.9670	0.000	1	106.9670	0.000	1	108.9544	1.796	12	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5])(CH3)	C(C[5,5]C[5,5]C[5]O[5])(H)3	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(O[5]C[5])(CH3){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C(C[5,5]C[5,5]C[5]O[5])(H)3	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH){1|O<1>,2|C<4>,3|H<1>}	107.3580	0.000	1	107.3580	0.000	1	109.5111	1.666	7	108.9544	1.796	12	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]HH)(O[5]C[5])(CH3)	C(C[5,5]C[5,5]C[5]O[5])(H)3	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]HH)(O[5]C[5])(CH3){1|H<1>,1|O<2>,2|C<4>}	C(C[5,5]C[5,5]C[5]O[5])(H)3	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	109.9990	0.000	1	109.9990	0.000	1	109.5111	1.666	7	108.9544	1.796	12	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(CH3)	C(C[5,5]C[5,5]C[5]O[5])(H)3	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CH)(O[5]C[5])(CH3){2|C<4>,2|H<1>,2|N<3>}	C(C[5,5]C[5,5]C[5]O[5])(H)3	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC){2|H<1>,3|C<4>}	109.6590	0.000	1	109.6590	0.000	1	109.5111	1.666	7	108.9544	1.796	12	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	C(C[5,5]C[5,5]C[5]O[5])(H)3	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3){1|C<3>,4|H<1>}	C(C[5,5]C[5,5]C[5]O[5])(H)3	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH){1|C<3>,1|O<2>,5|H<1>}	108.8300	0.151	2	108.8300	0.023	2	109.5111	1.666	7	108.9544	1.796	12	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(CH3)	C(C[5,5]C[5,5]C[5]O[5])(H)3	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]O[5]H)(O[5]C[5])(CH3){1|O<1>,1|O<2>,4|C<4>}	C(C[5,5]C[5,5]C[5]O[5])(H)3	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	110.9320	0.000	1	110.9320	0.000	1	109.5111	1.666	7	108.9544	1.796	12	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(CH3)	C(C[5,5]C[5,5]C[5]O[5])(H)3	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]CH)(O[5]C[5])(CH3){1|H<1>,3|C<4>}	C(C[5,5]C[5,5]C[5]O[5])(H)3	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	110.9700	0.000	1	110.9700	0.000	1	109.5111	1.666	7	108.9544	1.796	12	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:4:2:4:	4:2:1:1:	4:4:	C[5,5,6]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:	C[5,5](C[5,5,6]C[5,6]2O)(C[5]O[5]HH)(O[5]C[5,6])(CHHO)	C(C[5,5]C[5,5,6]C[5]O[5])(OC)(H)2	O[5](C[5,5]C[5,5,6]C[5]C)(C[5,6]C[5,6]O[6]H)	C[5,5](C[5,5,6]C[5,6]2O)(C[5]O[5]HH)(O[5]C[5,6])(CHHO){1|C<4>,2|O<2>,3|H<1>}	C(C[5,5]C[5,5,6]C[5]O[5])(OC)(H)2	O[5](C[5,5]C[5,5,6]C[5]C)(C[5,6]C[5,6]O[6]H){2|C<4>,3|H<1>,3|O<2>}	109.4030	0.000	1	109.4030	0.000	1	109.9745	0.653	2	108.7480	6.927	8	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:4:2:4:	4:2:1:1:	4:4:	C[5,5,6]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]O[5]HH)(O[5]C[5,6])(CHHO)	C(C[5,5]C[5,5,6]C[5]O[5])(OH)(H)2	O[5](C[5,5]C[5,5,6]C[5]C)(C[5,6]C[5,6]C[6]C)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]O[5]HH)(O[5]C[5,6])(CHHO){1|O<1>,3|C<4>,4|H<1>}	C(C[5,5]C[5,5,6]C[5]O[5])(OH)(H)2	O[5](C[5,5]C[5,5,6]C[5]C)(C[5,6]C[5,6]C[6]C){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	110.5460	0.000	1	110.5460	0.000	1	109.9745	0.653	2	108.7480	6.927	8	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:4:2:4:	4:2:1:1:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5,5]-4:	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(O[5]C[5,5])(CHHO)	C(C[5,5]C[5,5]C[5]O[5])(OS)(H)2	O[5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5,5]O[5]H)	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(O[5]C[5,5])(CHHO){2|O<2>,4|H<1>}	C(C[5,5]C[5,5]C[5]O[5])(OS)(H)2	O[5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5,5]O[5]H){2|C<4>,2|O<2>,4|H<1>}	111.4750	0.000	1	111.4750	0.000	1	111.4750	0.000	1	108.7480	6.927	8	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:4:2:4:	4:2:1:1:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:	C[5,5](C[5,5]C[5,6]C[5]C)(C[5]C[5]HO)(O[5]C[5,6])(CHHO)	C(C[5,5]C[5,5]C[5]O[5])(OH)(H)2	O[5](C[5,5]C[5,5]C[5]C)(C[5,6]C[5,6]C[6]H)	C[5,5](C[5,5]C[5,6]C[5]C)(C[5]C[5]HO)(O[5]C[5,6])(CHHO){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[5,5]C[5,5]C[5]O[5])(OH)(H)2	O[5](C[5,5]C[5,5]C[5]C)(C[5,6]C[5,6]C[6]H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	103.7500	0.000	1	103.7500	0.000	1	103.7500	0.000	1	108.7480	6.927	8	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:4:2:4:	4:2:1:1:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(CHHO)	C(C[5,5]C[5,5]C[5]O[5])(OSi)(H)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]HH)(O[5]C[5])(CHHO){1|O<1>,1|O<2>,3|H<1>}	C(C[5,5]C[5,5]C[5]O[5])(OSi)(H)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	106.1420	0.000	1	106.1420	0.000	1	108.7025	4.134	4	108.7480	6.927	8	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:4:2:4:	4:2:1:1:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]HO)(O[5]C[5])(CHHO)	C(C[5,5]C[5,5]C[5]O[5])(OH)(H)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]C)(C[5]O[5]HO)(O[5]C[5])(CHHO){2|C<4>,2|H<1>}	C(C[5,5]C[5,5]C[5]O[5])(OH)(H)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC){1|H<1>,2|C<4>,2|O<2>}	110.1280	0.000	1	110.1280	0.000	1	108.7025	4.134	4	108.7480	6.927	8	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:4:2:4:	4:2:1:1:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(CHHO)	C(C[5,5]C[5,5]C[5]O[5])(OH)(H)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(CHHO){1|O<1>,2|C<4>}	C(C[5,5]C[5,5]C[5]O[5])(OH)(H)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC){1|C<3>,1|O<2>,3|H<1>}	108.0110	0.000	1	109.2700	3.170	2	108.7025	4.134	4	108.7480	6.927	8	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:4:2:4:	4:2:1:1:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(CHHO)	C(C[5,5]C[5,5]C[5]O[5])(OH)(H)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(CHHO){1|O<2>,3|C<4>}	C(C[5,5]C[5,5]C[5]O[5])(OH)(H)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	110.5290	0.000	1	109.2700	3.170	2	108.7025	4.134	4	108.7480	6.927	8	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:4:2:4:	4:3:2:1:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:C-3:O-2:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CC)(O[5]C[5])(CCHO)	C(C[5,5]C[5,5]C[5]O[5])(CCC)(OH)(H)	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]CC)(O[5]C[5])(CCHO){1|H<1>,3|C<4>}	C(C[5,5]C[5,5]C[5]O[5])(CCC)(OH)(H)	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC){1|C<4>,1|H<1>,3|C<3>}	112.1060	0.000	1	112.1060	0.000	1	112.1060	0.000	1	112.1060	0.000	1	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:4:2:4:	4:4:1:1:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])(CCHH)	C(C[5,5]C[5,5]C[5]O[5])(CH3)(H)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])(CCHH){1|O<2>,3|C<4>,4|H<1>}	C(C[5,5]C[5,5]C[5]O[5])(CH3)(H)2	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH){1|O<2>,3|C<4>,3|H<1>}	109.1560	0.000	1	109.1560	0.000	1	109.1560	0.000	1	109.6278	1.364	5	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:4:2:4:	4:4:1:1:	4:4:	C[5,6]-4:C[5,5]-4:O[5]-2:C-4:	C[5,5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6]C[5,5,6]O[5,6]O)(C[5,5]C[5,6]C[5]H)(O[5]C[5])(CCHH)	C(C[5,5]C[5,5]C[5,6]O[5])(CCHH)(H)2	O[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]CO)	C[5,5](C[5,6]C[5,5,6]O[5,6]O)(C[5,5]C[5,6]C[5]H)(O[5]C[5])(CCHH){1|H<1>,1|O<1>,2|O<2>,4|C<4>}	C(C[5,5]C[5,5]C[5,6]O[5])(CCHH)(H)2	O[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]CO){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	107.8140	0.000	1	107.8140	0.000	1	107.8140	0.000	1	109.6278	1.364	5	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:4:2:4:	4:4:1:1:	4:4:	C[5,6]-4:C[5,5]-4:O[5]-2:C-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6]C[5,5,6]O[5,6]O)(C[5,5]C[5,6]C[5]H)(O[5]C[5])(CC[5]HH)	C(C[5,5]C[5,5]C[5,6]O[5])(C[5]C[3,5]C[5]H)(H)2	O[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[3]C[5]O)	C[5,5](C[5,6]C[5,5,6]O[5,6]O)(C[5,5]C[5,6]C[5]H)(O[5]C[5])(CC[5]HH){1|H<1>,1|O<1>,2|O<2>,4|C<4>}	C(C[5,5]C[5,5]C[5,6]O[5])(C[5]C[3,5]C[5]H)(H)2	O[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[3]C[5]O){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	110.7020	0.000	1	110.7020	0.000	1	110.3897	0.102	3	109.6278	1.364	5	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:4:2:4:	4:4:1:1:	4:4:	C[5,6]-4:C[5,5]-4:O[5]-2:C-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,6]C[5,5,6]O[5,6]O)(C[5,5]C[5,6]C[5]H)(O[5]C[5])(CC[5]HH)	C(C[5,5]C[5,5]C[5,6]O[5])(C[5]C[3,5]C[5]O)(H)2	O[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[3]C[5]O)	C[5,5](C[5,6]C[5,5,6]O[5,6]O)(C[5,5]C[5,6]C[5]H)(O[5]C[5])(CC[5]HH){1|H<1>,1|O<1>,2|O<2>,4|C<4>}	C(C[5,5]C[5,5]C[5,6]O[5])(C[5]C[3,5]C[5]O)(H)2	O[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[3]C[5]O){1|O<1>,2|H<1>,2|O<2>,4|C<4>}	110.2335	0.238	2	110.2335	0.057	2	110.3897	0.102	3	109.6278	1.364	5	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:4:2:4:	4:4:2:1:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:C-4:O-2:H-1:	C[5,5]-4:C[5]-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)(O[5]C[5])(CCHO)	C(C[5,5]C[5,5]C[5]O[5])(CC[6]HH)(OC)(H)	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[6]O[5]H)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)(O[5]C[5])(CCHO){1|C<4>,1|H<1>,1|O<1>}	C(C[5,5]C[5,5]C[5]O[5])(CC[6]HH)(OC)(H)	O[5](C[5,5]C[5,5]C[5]C)(C[5]C[6]O[5]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	110.3520	0.000	1	110.3520	0.000	1	110.3520	0.000	1	110.3520	0.000	1	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:4:2:4:	4:4:4:4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:C-4:C-4:C-4:	C[5,5]-4:S[5]-3:	C[5,5](C[5,5]C[5]O[5]C)(C[5]S[5]HH)(O[5]S[5])(CC3)	C(C[5,5]C[5,5]C[5]O[5])(CH3)3	O[5](C[5,5]C[5,5]C[5]C)(S[5]O[5]S)	C[5,5](C[5,5]C[5]O[5]C)(C[5]S[5]HH)(O[5]S[5])(CC3){1|H<1>,1|O<1>,1|S<1>}	C(C[5,5]C[5,5]C[5]O[5])(CH3)3	O[5](C[5,5]C[5,5]C[5]C)(S[5]O[5]S){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	107.2700	0.000	1	105.5088	1.326	5	105.5088	1.326	5	105.5088	1.326	5	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,5]	C	O[5]	4:4:2:4:	4:4:4:4:	4:3:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5,5]-4:C-4:C-4:C-4:	C[5,5]-4:S[5]-3:	C[5,5](C[5,5]C[5]O[5]C)(C[5]S[5]HH)(O[5]S[5])(CC3)	C(C[5,5]C[5,5]C[5]O[5])(CH3)3	O[5](C[5,5]C[5,5]C[5]C)(S[5]O[5]S)	C[5,5](C[5,5]C[5]O[5]C)(C[5]S[5]HH)(O[5]S[5])(CC3){1|S<1>,2|H<1>}	C(C[5,5]C[5,5]C[5]O[5])(CH3)3	O[5](C[5,5]C[5,5]C[5]C)(S[5]O[5]S){1|S<2>,2|C<4>,2|H<1>}	105.0685	0.690	4	105.5088	1.326	5	105.5088	1.326	5	105.5088	1.326	5	108.7546	3.717	110	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6,6]	C	O[5,6]	4:2:2:4:	4:1:1:1:	4:4:	C[4x6]-4:O[5,6]-2:O[5,6]-2:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5,6,6]-4:	C[5,6,6](C[4x6]C[3x6]C[6,6]2)(O[5,6]C[3x5,6])(O[5,6]C[5,5,6])(CH3)	C(C[5,6,6]C[4x6]O[5,6]2)(H)3	O[5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]C[5])(C[5,6,6]C[4x6]O[5,6]C)	C[5,6,6](C[4x6]C[3x6]C[6,6]2)(O[5,6]C[3x5,6])(O[5,6]C[5,5,6])(CH3){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	C(C[5,6,6]C[4x6]O[5,6]2)(H)3	O[5,6](C[3x5,6]C[5,5,6,6]C[5,5,6]C[5])(C[5,6,6]C[4x6]O[5,6]C){1|H<1>,2|C<3>,2|O<2>,5|C<4>}	110.1773	0.513	4	110.1773	0.264	4	110.1773	0.264	4	109.6268	0.815	24	109.1752	1.108	41	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6,6]	C	O[5,6]	4:2:2:4:	4:1:1:1:	4:4:	C[4x6]-4:O[5,6]-2:O[5,6]-2:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,6,6](C[4x6]C[3x6]C[6,6]2)(O[5,6]C[3x5,6])(O[5,6]C[5,5,6])(CH3)	C(C[5,6,6]C[4x6]O[5,6]2)(H)3	O[5,6](C[5,5,6]C[3x5,6]C[5,6,6]O)(C[5,6,6]C[4x6]O[5,6]C)	C[5,6,6](C[4x6]C[3x6]C[6,6]2)(O[5,6]C[3x5,6])(O[5,6]C[5,5,6])(CH3){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	C(C[5,6,6]C[4x6]O[5,6]2)(H)3	O[5,6](C[5,5,6]C[3x5,6]C[5,6,6]O)(C[5,6,6]C[4x6]O[5,6]C){1|C<3>,6|C<4>}	108.1428	0.374	4	108.1428	0.140	4	108.1428	0.140	4	109.6268	0.815	24	109.1752	1.108	41	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6,6]	C	O[5,6]	4:2:2:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5,6]-2:O[6,6]-2:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[5,6]C[6]O[5]C)(O[5,6]C[5,6])(O[6,6]C[6,6])(CH3)	C(C[5,6,6]C[5,6]O[5,6]O[6,6])(H)3	O[5,6](C[5,6,6]C[5,6]O[6,6]C)(C[5,6]C[6]O[5]C)	C[5,6,6](C[5,6]C[6]O[5]C)(O[5,6]C[5,6])(O[6,6]C[6,6])(CH3){1|Cl<1>,1|O<2>,4|C<4>}	C(C[5,6,6]C[5,6]O[5,6]O[6,6])(H)3	O[5,6](C[5,6,6]C[5,6]O[6,6]C)(C[5,6]C[6]O[5]C){1|H<1>,2|C<3>,2|C<4>}	110.5980	0.000	1	109.7642	0.247	5	109.7642	0.247	5	109.6268	0.815	24	109.1752	1.108	41	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6,6]	C	O[5,6]	4:2:2:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5,6]-2:O[6,6]-2:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[5,6]C[6]O[5]C)(O[5,6]C[5,6])(O[6,6]C[6,6])(CH3)	C(C[5,6,6]C[5,6]O[5,6]O[6,6])(H)3	O[5,6](C[5,6,6]C[5,6]O[6,6]C)(C[5,6]C[6]O[5]C)	C[5,6,6](C[5,6]C[6]O[5]C)(O[5,6]C[5,6])(O[6,6]C[6,6])(CH3){1|H<1>,1|O<2>,4|C<4>}	C(C[5,6,6]C[5,6]O[5,6]O[6,6])(H)3	O[5,6](C[5,6,6]C[5,6]O[6,6]C)(C[5,6]C[6]O[5]C){1|C<3>,1|H<1>,3|C<4>}	109.5133	0.221	3	109.7642	0.247	5	109.7642	0.247	5	109.6268	0.815	24	109.1752	1.108	41	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6,6]	C	O[5,6]	4:2:2:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5,6]-2:O[6,6]-2:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[5,6]C[6]O[5]C)(O[5,6]C[5,6])(O[6,6]C[6,6])(CH3)	C(C[5,6,6]C[5,6]O[5,6]O[6,6])(H)3	O[5,6](C[5,6,6]C[5,6]O[6,6]C)(C[5,6]C[6]O[5]C)	C[5,6,6](C[5,6]C[6]O[5]C)(O[5,6]C[5,6])(O[6,6]C[6,6])(CH3){2|O<2>,4|C<4>}	C(C[5,6,6]C[5,6]O[5,6]O[6,6])(H)3	O[5,6](C[5,6,6]C[5,6]O[6,6]C)(C[5,6]C[6]O[5]C){1|H<1>,2|C<3>,2|C<4>}	109.6830	0.000	1	109.7642	0.247	5	109.7642	0.247	5	109.6268	0.815	24	109.1752	1.108	41	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6,6]	C	O[5,6]	4:2:2:4:	4:1:1:1:	4:4:	C[5,6]-4:Se[6,6]-2:O[5,6]-2:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,5,6]HH)(Se[6,6]C[5,6,6])(O[5,6]C[5,5,6])(CH3)	C(C[5,6,6]Se[6,6]C[5,6]O[5,6])(H)3	O[5,6](C[5,5,6]C[5,5,6]O[5,6]H)(C[5,6,6]Se[6,6]C[5,6]C)	C[5,6,6](C[5,6]C[5,5,6]HH)(Se[6,6]C[5,6,6])(O[5,6]C[5,5,6])(CH3){1|C<4>,1|O<2>,3|H<1>}	C(C[5,6,6]Se[6,6]C[5,6]O[5,6])(H)3	O[5,6](C[5,5,6]C[5,5,6]O[5,6]H)(C[5,6,6]Se[6,6]C[5,6]C){2|C<4>,3|H<1>}	109.9620	0.000	1	109.9620	0.000	1	109.9620	0.000	1	109.6268	0.815	24	109.1752	1.108	41	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6,6]	C	O[5,6]	4:2:2:4:	4:1:1:1:	4:4:	C[6,6]-4:O[5,6]-2:O[5,6]-2:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,6,6](C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])2(CH3)	C(C[5,6,6]C[6,6]O[5,6]2)(H)3	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[6,6]O[5,6]C)	C[5,6,6](C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])2(CH3){1|C<3>,1|O<2>,3|C<4>}	C(C[5,6,6]C[6,6]O[5,6]2)(H)3	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[6,6]O[5,6]C){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	110.7200	0.000	1	110.4590	0.107	5	109.8980	0.620	10	109.6268	0.815	24	109.1752	1.108	41	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6,6]	C	O[5,6]	4:2:2:4:	4:1:1:1:	4:4:	C[6,6]-4:O[5,6]-2:O[5,6]-2:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,6,6](C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])2(CH3)	C(C[5,6,6]C[6,6]O[5,6]2)(H)3	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[6,6]O[5,6]C)	C[5,6,6](C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])2(CH3){1|C<3>,1|O<2>,3|C<4>}	C(C[5,6,6]C[6,6]O[5,6]2)(H)3	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[6,6]O[5,6]C){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	110.3937	0.338	4	110.4590	0.107	5	109.8980	0.620	10	109.6268	0.815	24	109.1752	1.108	41	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6,6]	C	O[5,6]	4:2:2:4:	4:1:1:1:	4:4:	C[6,6]-4:O[5,6]-2:O[5,6]-2:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,6,6](C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])2(CH3)	C(C[5,6,6]C[6,6]O[5,6]2)(H)3	O[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[6,6]O[5,6]C)	C[5,6,6](C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])2(CH3){1|C<3>,1|O<2>,3|C<4>}	C(C[5,6,6]C[6,6]O[5,6]2)(H)3	O[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[6,6]O[5,6]C){1|H<1>,2|C<3>,2|C<4>}	109.3370	0.708	5	109.3370	0.502	5	109.8980	0.620	10	109.6268	0.815	24	109.1752	1.108	41	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6,6]	C	O[5,6]	4:2:4:4:	4:1:1:1:	4:4:	C[5,5,6,6]-4:O[5,6]-2:C[6]-4:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,5,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(O[5,6]C[5,5,6])(C[6]C[6,6]HH)(CH3)	C(C[5,6,6]C[5,5,6,6]O[5,6]C[6])(H)3	O[5,6](C[5,6,6]C[5,5,6,6]C[6]C)(C[5,5,6]C[5,5]C[5,6]H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(O[5,6]C[5,5,6])(C[6]C[6,6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[5,6,6]C[5,5,6,6]O[5,6]C[6])(H)3	O[5,6](C[5,6,6]C[5,5,6,6]C[6]C)(C[5,5,6]C[5,5]C[5,6]H){2|C<4>,7|H<1>}	109.6368	0.580	4	109.6368	0.337	4	109.6368	0.337	4	109.6368	0.337	4	109.1752	1.108	41	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6,6]	C	O[5,6]	4:4:2:4:	4:1:1:1:	4:4:	C[3x6]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6,6](C[3x6]C[3x6]C[6]O)(C[5,6]C[6]O[5]O)(O[5,6]C[5,6])(CH3)	C(C[5,6,6]C[3x6]C[5,6]O[5,6])(H)3	O[5,6](C[5,6,6]C[3x6]C[5,6]C)(C[5,6]C[6]O[5]C)	C[5,6,6](C[3x6]C[3x6]C[6]O)(C[5,6]C[6]O[5]O)(O[5,6]C[5,6])(CH3){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C(C[5,6,6]C[3x6]C[5,6]O[5,6])(H)3	O[5,6](C[5,6,6]C[3x6]C[5,6]C)(C[5,6]C[6]O[5]C){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	109.3245	0.064	2	109.3245	0.004	2	109.3245	0.004	2	108.4035	0.346	11	109.1752	1.108	41	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6,6]	C	O[5,6]	4:4:2:4:	4:1:1:1:	4:4:	C[5,6,6]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5]H)(C[5,6]C[5,5,6,6]HH)(O[5,6]C[5,5,6,6])(CH3)	C(C[5,6,6]C[5,6,6]C[5,6]O[5,6])(H)3	O[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6]O[5,6])(C[5,6,6]C[5,6,6]C[5,6]C)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5]H)(C[5,6]C[5,5,6,6]HH)(O[5,6]C[5,5,6,6])(CH3){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C(C[5,6,6]C[5,6,6]C[5,6]O[5,6])(H)3	O[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6]O[5,6])(C[5,6,6]C[5,6,6]C[5,6]C){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	108.0050	0.000	1	108.0050	0.000	1	108.0050	0.000	1	108.4035	0.346	11	109.1752	1.108	41	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6,6]	C	O[5,6]	4:4:2:4:	4:1:1:1:	4:4:	C[5,6,6]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6]O[5,6]O)(C[5,6]C[5,6]C[6,6]H)(O[5,6]C[5,6,6])(CH3)	C(C[5,6,6]C[5,6,6]C[5,6]O[5,6])(H)3	O[5,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[5,6,6]C[5,6,6]C[5,6]O)	C[5,6,6](C[5,6,6]C[5,6]O[5,6]O)(C[5,6]C[5,6]C[6,6]H)(O[5,6]C[5,6,6])(CH3){1|O<2>,3|C<3>,4|C<4>}	C(C[5,6,6]C[5,6,6]C[5,6]O[5,6])(H)3	O[5,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[5,6,6]C[5,6,6]C[5,6]O){1|H<1>,2|C<3>,2|O<2>,4|C<4>}	108.4110	0.000	1	108.4110	0.000	1	108.3045	0.023	2	108.4035	0.346	11	109.1752	1.108	41	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6,6]	C	O[5,6]	4:4:2:4:	4:1:1:1:	4:4:	C[5,6,6]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6]O[5,6]O)(C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6,6])(CH3)	C(C[5,6,6]C[5,6,6]C[5,6]O[5,6])(H)3	O[5,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[5,6,6]C[5,6,6]C[5,6]O)	C[5,6,6](C[5,6,6]C[5,6]O[5,6]O)(C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6,6])(CH3){1|O<2>,3|C<3>,4|C<4>}	C(C[5,6,6]C[5,6,6]C[5,6]O[5,6])(H)3	O[5,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[5,6,6]C[5,6,6]C[5,6]O){1|H<1>,2|C<3>,2|O<2>,4|C<4>}	108.1980	0.000	1	108.1980	0.000	1	108.3045	0.023	2	108.4035	0.346	11	109.1752	1.108	41	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6,6]	C	O[5,6]	4:4:2:4:	4:1:1:1:	4:4:	C[5,6]-4:C[6,6]-4:O[5,6]-2:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,5,6]CO)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(CH3)	C(C[5,6,6]C[5,6]C[6,6]O[5,6])(H)3	O[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[5,6]C[6,6]C)	C[5,6,6](C[5,6]C[5,5,6]CO)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(CH3){1|C<3>,2|C<4>,2|O<2>}	C(C[5,6,6]C[5,6]C[6,6]O[5,6])(H)3	O[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[5,6]C[6,6]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	108.2510	0.000	1	108.1960	0.259	6	108.1960	0.259	6	108.4035	0.346	11	109.1752	1.108	41	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6,6]	C	O[5,6]	4:4:2:4:	4:1:1:1:	4:4:	C[5,6]-4:C[6,6]-4:O[5,6]-2:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,5,6]CO)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(CH3)	C(C[5,6,6]C[5,6]C[6,6]O[5,6])(H)3	O[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[5,6]C[6,6]C)	C[5,6,6](C[5,6]C[5,5,6]CO)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(CH3){1|C<3>,2|C<4>,2|O<2>}	C(C[5,6,6]C[5,6]C[6,6]O[5,6])(H)3	O[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[5,6]C[6,6]C){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	108.0138	0.485	4	108.1960	0.259	6	108.1960	0.259	6	108.4035	0.346	11	109.1752	1.108	41	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6,6]	C	O[5,6]	4:4:2:4:	4:1:1:1:	4:4:	C[5,6]-4:C[6,6]-4:O[5,6]-2:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,5,6]CO)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(CH3)	C(C[5,6,6]C[5,6]C[6,6]O[5,6])(H)3	O[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[5,6]C[6,6]C)	C[5,6,6](C[5,6]C[5,5,6]CO)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(CH3){1|C<4>,2|C<3>,2|O<2>}	C(C[5,6,6]C[5,6]C[6,6]O[5,6])(H)3	O[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[5,6]C[6,6]C){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	108.8700	0.000	1	108.1960	0.259	6	108.1960	0.259	6	108.4035	0.346	11	109.1752	1.108	41	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6,6]	C	O[5,6]	4:4:2:4:	4:4:4:4:	4:4:	C[5,6]-4:C[6,6]-4:O[5,6]-2:C-4:	C[5,6,6]-4:C-4:C-4:C-4:	C[5,5,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(CC3)	C(C[5,6,6]C[5,6]C[6,6]O[5,6])(CH3)3	O[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[5,6]C[6,6]C)	C[5,6,6](C[5,6]C[5,5,6]HH)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(CC3){1|H<1>,2|C<4>,2|O<2>}	C(C[5,6,6]C[5,6]C[6,6]O[5,6])(CH3)3	O[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[5,6]C[6,6]C){1|C<3>,2|C<4>,4|H<1>}	107.0765	0.104	2	107.0765	0.011	2	107.0765	0.011	2	107.0765	0.011	2	109.1752	1.108	41	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6,6]	C	O[5]	4:2:2:4:	4:1:1:1:	4:2:	C[5,3x6]-4:O[6,6]-2:O[5]-2:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:O[5]-2:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(O[6,6]C[3x6])(O[5]O[5])(CH3)	C(C[5,6,6]C[5,3x6]O[6,6]O[5])(H)3	O[5](C[5,6,6]C[5,3x6]O[6,6]C)(O[5]C[5,6,6])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(O[6,6]C[3x6])(O[5]O[5])(CH3){1|O<2>,2|H<1>,3|C<4>}	C(C[5,6,6]C[5,3x6]O[6,6]O[5])(H)3	O[5](C[5,6,6]C[5,3x6]O[6,6]C)(O[5]C[5,6,6]){1|O<2>,4|C<4>}	106.8410	0.106	2	106.8410	0.011	2	107.1103	0.223	3	107.1103	0.223	3	107.7603	1.259	21	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6,6]	C	O[5]	4:2:2:4:	4:1:1:1:	4:2:	C[5,3x6]-4:O[6,6]-2:O[5]-2:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:O[5]-2:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(O[5]O[5])(CH3)	C(C[5,6,6]C[5,3x6]O[6,6]O[5])(H)3	O[5](C[5,6,6]C[5,3x6]O[6,6]C)(O[5]C[5,6,6])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(O[5]O[5])(CH3){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[5,6,6]C[5,3x6]O[6,6]O[5])(H)3	O[5](C[5,6,6]C[5,3x6]O[6,6]C)(O[5]C[5,6,6]){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	107.6490	0.000	1	107.6490	0.000	1	107.1103	0.223	3	107.1103	0.223	3	107.7603	1.259	21	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6,6]	C	O[5]	4:3:2:4:	4:3:1:1:	4:4:	C[5,3x6]-4:C[6,6]-3:O[5]-2:C-4:	C[5,6,6]-4:C-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O)(O[5]C[5])(CCHH)	C(C[5,6,6]C[5,3x6]C[6,6]O[5])(CCH)(H)2	O[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]CC)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O)(O[5]C[5])(CCHH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[5,6,6]C[5,3x6]C[6,6]O[5])(CCH)(H)2	O[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]CC){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	108.8310	0.000	1	108.8310	0.000	1	108.8310	0.000	1	108.2594	1.687	10	107.7603	1.259	21	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6,6]	C	O[5]	4:3:2:4:	4:3:1:1:	4:4:	C[5,4x6]-4:C[6,6]-3:O[5]-2:C-4:	C[5,6,6]-4:C-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,4x6]C[3,3x6]C[5,6,6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH)	C(C[5,6,6]C[5,4x6]C[6,6]O[5])(CCH)(H)2	O[5](C[5,6,6]C[5,4x6]C[6,6]C)(C[5]C[5,6,6]CC)	C[5,6,6](C[5,4x6]C[3,3x6]C[5,6,6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C(C[5,6,6]C[5,4x6]C[6,6]O[5])(CCH)(H)2	O[5](C[5,6,6]C[5,4x6]C[6,6]C)(C[5]C[5,6,6]CC){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	107.9650	0.014	2	107.9650	0.000	2	108.1959	1.853	9	108.2594	1.687	10	107.7603	1.259	21	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6,6]	C	O[5]	4:3:2:4:	4:3:1:1:	4:4:	C[5,4x6]-4:C[6,6]-3:O[5]-2:C-4:	C[5,6,6]-4:C-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH)	C(C[5,6,6]C[5,4x6]C[6,6]O[5])(CCH)(H)2	O[5](C[5,6,6]C[5,4x6]C[6,6]C)(C[5]C[5,6,6]CC)	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C(C[5,6,6]C[5,4x6]C[6,6]O[5])(CCH)(H)2	O[5](C[5,6,6]C[5,4x6]C[6,6]C)(C[5]C[5,6,6]CC){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	108.0820	0.000	1	108.2619	2.447	7	108.1959	1.853	9	108.2594	1.687	10	107.7603	1.259	21	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6,6]	C	O[5]	4:3:2:4:	4:3:1:1:	4:4:	C[5,4x6]-4:C[6,6]-3:O[5]-2:C-4:	C[5,6,6]-4:C-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH)	C(C[5,6,6]C[5,4x6]C[6,6]O[5])(CCH)(H)2	O[5](C[5,6,6]C[5,4x6]C[6,6]C)(C[5]C[5,6,6]CC)	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH){2|C<3>,2|H<1>,4|C<4>}	C(C[5,6,6]C[5,4x6]C[6,6]O[5])(CCH)(H)2	O[5](C[5,6,6]C[5,4x6]C[6,6]C)(C[5]C[5,6,6]CC){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	108.2375	0.701	2	108.2619	2.447	7	108.1959	1.853	9	108.2594	1.687	10	107.7603	1.259	21	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6,6]	C	O[5]	4:3:2:4:	4:3:1:1:	4:4:	C[5,4x6]-4:C[6,6]-3:O[5]-2:C-4:	C[5,6,6]-4:C-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH)	C(C[5,6,6]C[5,4x6]C[6,6]O[5])(CCH)(H)2	O[5](C[5,6,6]C[5,4x6]C[6,6]C)(C[5]C[5,6,6]CC)	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH){2|C<3>,3|H<1>,4|C<4>}	C(C[5,6,6]C[5,4x6]C[6,6]O[5])(CCH)(H)2	O[5](C[5,6,6]C[5,4x6]C[6,6]C)(C[5]C[5,6,6]CC){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	108.5830	2.580	3	108.2619	2.447	7	108.1959	1.853	9	108.2594	1.687	10	107.7603	1.259	21	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6,6]	C	O[5]	4:3:2:4:	4:3:1:1:	4:4:	C[5,4x6]-4:C[6,6]-3:O[5]-2:C-4:	C[5,6,6]-4:C-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH)	C(C[5,6,6]C[5,4x6]C[6,6]O[5])(CCH)(H)2	O[5](C[5,6,6]C[5,4x6]C[6,6]C)(C[5]C[5,6,6]CC)	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH){2|H<1>,3|C<3>,3|C<4>}	C(C[5,6,6]C[5,4x6]C[6,6]O[5])(CCH)(H)2	O[5](C[5,6,6]C[5,4x6]C[6,6]C)(C[5]C[5,6,6]CC){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	107.5270	0.000	1	108.2619	2.447	7	108.1959	1.853	9	108.2594	1.687	10	107.7603	1.259	21	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[4,5,6,6]-4:C[6,6]-4:O[5]-2:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[4,5,6,6]C[4,5,6]C[4,6]O)(C[6,6]C[6,6]HO)(O[5]C[5])(CH3)	C(C[5,6,6]C[4,5,6,6]C[6,6]O[5])(H)3	O[5](C[5,6,6]C[4,5,6,6]C[6,6]C)(C[5]C[4,5,6]HH)	C[5,6,6](C[4,5,6,6]C[4,5,6]C[4,6]O)(C[6,6]C[6,6]HO)(O[5]C[5])(CH3){2|C<4>,6|H<1>}	C(C[5,6,6]C[4,5,6,6]C[6,6]O[5])(H)3	O[5](C[5,6,6]C[4,5,6,6]C[6,6]C)(C[5]C[4,5,6]HH){1|H<1>,2|O<2>,4|C<4>}	107.2600	0.000	1	107.2600	0.000	1	107.2600	0.000	1	107.6180	0.644	6	107.7603	1.259	21	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,3x6]-4:C[5,6,6]-4:O[5]-2:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,5]-4:	C[5,6,6](C[5,3x6]C[3x5,6,6]C[6,6]O)(C[5,6,6]C[5,3x6]O[5]O)(O[5]C[5,5])(CH3)	C(C[5,6,6]C[5,3x6]C[5,6,6]O[5])(H)3	O[5](C[5,6,6]C[5,3x6]C[5,6,6]C)(C[5,5]C[3x5,6,6]O[5]C)	C[5,6,6](C[5,3x6]C[3x5,6,6]C[6,6]O)(C[5,6,6]C[5,3x6]O[5]O)(O[5]C[5,5])(CH3){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C(C[5,6,6]C[5,3x6]C[5,6,6]O[5])(H)3	O[5](C[5,6,6]C[5,3x6]C[5,6,6]C)(C[5,5]C[3x5,6,6]O[5]C){2|C<3>,3|C<4>,3|O<2>}	107.4900	0.000	1	107.4900	0.000	1	107.4900	0.000	1	107.6180	0.644	6	107.7603	1.259	21	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,6,6]-4:C[4,6,6]-4:O[5]-2:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:B[5,5]-4:	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5,5])(CH3)	C(C[5,6,6]C[4,6,6]C[5,6,6]O[5])(H)3	O[5](C[5,6,6]C[4,6,6]C[5,6,6]C)(B[5,5]C[5]O[5]2)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5,5])(CH3){1|O<2>,4|C<4>,4|H<1>}	C(C[5,6,6]C[4,6,6]C[5,6,6]O[5])(H)3	O[5](C[5,6,6]C[4,6,6]C[5,6,6]C)(B[5,5]C[5]O[5]2){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	107.7580	0.000	1	107.7580	0.000	1	107.7580	0.000	1	107.6180	0.644	6	107.7603	1.259	21	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6]O[6]H)(O[5]C[5])(CH3)	C(C[5,6,6]C[5,6,6]C[6,6]O[5])(H)3	O[5](C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5,6]HH)	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6]O[6]H)(O[5]C[5])(CH3){1|C<3>,1|C<4>,7|H<1>}	C(C[5,6,6]C[5,6,6]C[6,6]O[5])(H)3	O[5](C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5,6]HH){1|O<2>,3|C<4>,3|H<1>}	108.1590	0.000	1	108.1590	0.000	1	107.7333	1.508	3	107.6180	0.644	6	107.7603	1.259	21	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]N[6,6]C[6]H)(O[5]C[5])(CH3)	C(C[5,6,6]C[5,6,6]C[6,6]O[5])(H)3	O[5](C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5,6]HH)	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]N[6,6]C[6]H)(O[5]C[5])(CH3){1|Si<4>,3|C<4>,6|H<1>}	C(C[5,6,6]C[5,6,6]C[6,6]O[5])(H)3	O[5](C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5,6]HH){1|Si<4>,1|N<3>,2|H<1>,3|C<4>}	106.3490	0.000	1	106.3490	0.000	1	107.7333	1.508	3	107.6180	0.644	6	107.7603	1.259	21	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,6,6]-4:C[6,6]-4:O[5]-2:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]N[6,6a]C[6]H)(O[5]C[5])(CH3)	C(C[5,6,6]C[5,6,6]C[6,6]O[5])(H)3	O[5](C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5,6]HH)	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]N[6,6a]C[6]H)(O[5]C[5])(CH3){1|Si<4>,3|C<3>,6|H<1>}	C(C[5,6,6]C[5,6,6]C[6,6]O[5])(H)3	O[5](C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5,6]HH){1|Si<4>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	108.6920	0.000	1	108.6920	0.000	1	107.7333	1.508	3	107.6180	0.644	6	107.7603	1.259	21	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6,6]	C	O[5]	4:4:2:4:	4:4:1:1:	4:4:	C[5,6,6]-4:C[4,6,6]-4:O[5]-2:C-4:	C[5,6,6]-4:C-4:H-1:H-1:	C[5,6,6]-4:B[5,5]-4:	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5,5])(CCHH)	C(C[5,6,6]C[4,6,6]C[5,6,6]O[5])(CN[5]HH)(H)2	O[5](C[5,6,6]C[4,6,6]C[5,6,6]C)(B[5,5]C[5,6a]N[5,5]O[5])	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[4,6,6]C[4,6]2H)(O[5]B[5,5])(CCHH){1|C<3>,1|N<4>,3|C<4>,4|H<1>}	C(C[5,6,6]C[4,6,6]C[5,6,6]O[5])(CN[5]HH)(H)2	O[5](C[5,6,6]C[4,6,6]C[5,6,6]C)(B[5,5]C[5,6a]N[5,5]O[5]){1|N<3>,2|C<3>,3|H<1>,4|C<4>}	106.6665	0.217	2	106.6665	0.047	2	106.6665	0.047	2	106.6665	0.047	2	107.7603	1.259	21	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	2:2:3:4:	4:1:1:1:	4:4:	O[5,6]-2:O[6]-2:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(O[6]C[6,6a])(C[5]O[5]O)(CH3)	C(C[5,6]O[5,6]C[5]O[6])(H)3	O[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]O[6]C)	C[5,6](O[5,6]C[5,6])(O[6]C[6,6a])(C[5]O[5]O)(CH3){1|H<1>,2|C<3>}	C(C[5,6]O[5,6]C[5]O[6])(H)3	O[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]O[6]C){1|O<1>,2|C<3>}	112.8230	0.000	1	112.8230	0.000	1	112.8230	0.000	1	112.8230	0.000	1	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	2:3:3:4:	4:1:1:1:	4:4:	O[5,6]-2:C[6]-3:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]Br)(C[5]C[5]C)(CH3)	C(C[5,6]O[5,6]C[5]C[6])(H)3	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]Br)(C[5]C[5]C)(CH3){1|Br<1>,1|C<3>,2|H<1>}	C(C[5,6]O[5,6]C[5]C[6])(H)3	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	109.2570	0.000	1	109.2570	0.000	1	109.2570	0.000	1	109.2570	0.000	1	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	2:3:4:4:	4:1:1:1:	4:4:	O[5,6]-2:C[5]-3:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]O)(C[6]C[6]HO)(CH3)	C(C[5,6]O[5,6]C[5]C[6])(H)3	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]C)	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]O)(C[6]C[6]HO)(CH3){1|C<3>,2|C<4>,3|H<1>}	C(C[5,6]O[5,6]C[5]C[6])(H)3	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]C){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	110.8230	0.000	1	110.8230	0.000	1	110.8230	0.000	1	110.8230	0.000	1	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	2:3:4:4:	4:4:4:1:	4:4:	O[5,6]-2:C[6]-3:C[5]-4:C-4:	C[5,6]-4:C-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]O)(C[5]C[5]HH)(CCCH)	C(C[5,6]O[5,6]C[5]C[6])(CH3)2(H)	O[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]O)(C[5]C[5]HH)(CCCH){1|O<2>,2|H<1>,3|C<4>}	C(C[5,6]O[5,6]C[5]C[6])(CH3)2(H)	O[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	109.7720	0.000	1	109.7720	0.000	1	109.7720	0.000	1	109.7720	0.000	1	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	2:4:2:4:	4:1:1:1:	4:4:	O[5,6]-2:C[5]-4:O[6]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]HH)(O[6]C[6])(CH3)	C(C[5,6]O[5,6]C[5]O[6])(H)3	O[5,6](C[5,6,6]C[6,6]C[5]O[6])(C[5,6]C[5]O[6]C)	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]HH)(O[6]C[6])(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C(C[5,6]O[5,6]C[5]O[6])(H)3	O[5,6](C[5,6,6]C[6,6]C[5]O[6])(C[5,6]C[5]O[6]C){1|O<2>,2|C<4>,5|H<1>}	109.1930	0.000	1	109.1930	0.000	1	109.1930	0.000	1	109.7831	0.525	28	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	2:4:2:4:	4:1:1:1:	4:4:	O[5,6]-2:C[5]-4:O[6]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(O[6]C[6])(CH3)	C(C[5,6]O[5,6]C[5]O[6])(H)3	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]C)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(O[6]C[6])(CH3){2|C<4>,4|H<1>}	C(C[5,6]O[5,6]C[5]O[6])(H)3	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]C){2|C<4>,5|H<1>}	109.8690	0.000	1	109.8690	0.000	1	109.9223	0.025	3	109.7831	0.525	28	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	2:4:2:4:	4:1:1:1:	4:4:	O[5,6]-2:C[5]-4:O[6]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(O[6]O[6])(CH3)	C(C[5,6]O[5,6]C[5]O[6])(H)3	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]C)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(O[6]O[6])(CH3){1|C<4>,3|H<1>}	C(C[5,6]O[5,6]C[5]O[6])(H)3	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]O[6]C){1|O<2>,2|C<4>,4|H<1>}	109.7990	0.000	1	109.7990	0.000	1	109.9223	0.025	3	109.7831	0.525	28	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	2:4:2:4:	4:1:1:1:	4:4:	O[5,6]-2:C[5]-4:O[6]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(O[6]C[6])(CH3)	C(C[5,6]O[5,6]C[5]O[6])(H)3	O[5,6](C[5,6]C[5]O[6]C)(C[5,6]C[6]O[5]C)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(O[6]C[6])(CH3){1|C<3>,1|H<1>,2|C<4>}	C(C[5,6]O[5,6]C[5]O[6])(H)3	O[5,6](C[5,6]C[5]O[6]C)(C[5,6]C[6]O[5]C){1|C<4>,1|O<2>,3|H<1>}	110.0990	0.000	1	110.0990	0.000	1	109.9223	0.025	3	109.7831	0.525	28	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	2:4:2:4:	4:1:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,3x6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,3x6])(C[6]C[6,6]HH)(O[5]C[5,6])(CH3)	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5,6](C[5,3x6]C[6,6a]C[3x6]C[5,6])(C[5,6]C[6]O[5]C)	C[5,6](O[5,6]C[5,3x6])(C[6]C[6,6]HH)(O[5]C[5,6])(CH3){1|O<2>,2|C<3>,3|C<4>}	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5,6](C[5,3x6]C[6,6a]C[3x6]C[5,6])(C[5,6]C[6]O[5]C){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	109.8310	0.000	1	109.8310	0.000	1	109.8310	0.000	1	109.7831	0.525	28	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	2:4:2:4:	4:1:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[6]C[6,6]CH)(O[5]C[5,6])(CH3)	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5,6](C[5,6,6]C[5,6]O[6,6]C)(C[5,6]C[6]O[5]C)	C[5,6](O[5,6]C[5,6,6])(C[6]C[6,6]CH)(O[5]C[5,6])(CH3){1|C<3>,2|O<2>,3|C<4>}	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5,6](C[5,6,6]C[5,6]O[6,6]C)(C[5,6]C[6]O[5]C){1|H<1>,2|C<3>,2|C<4>}	110.1175	0.292	2	109.7060	0.391	5	109.7345	0.318	6	109.7831	0.525	28	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	2:4:2:4:	4:1:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[6]C[6,6]CH)(O[5]C[5,6])(CH3)	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5,6](C[5,6,6]C[5,6]O[6,6]C)(C[5,6]C[6]O[5]C)	C[5,6](O[5,6]C[5,6,6])(C[6]C[6,6]CH)(O[5]C[5,6])(CH3){2|O<2>,4|C<4>}	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5,6](C[5,6,6]C[5,6]O[6,6]C)(C[5,6]C[6]O[5]C){1|C<3>,1|H<1>,3|C<4>}	109.4317	0.676	3	109.7060	0.391	5	109.7345	0.318	6	109.7831	0.525	28	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	2:4:2:4:	4:1:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[6]C[6]HH)(O[5]C[5,6])(CH3)	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]C)	C[5,6](O[5,6]C[5,6,6])(C[6]C[6]HH)(O[5]C[5,6])(CH3){1|C<3>,1|C<4>,4|H<1>}	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]C){1|C<3>,2|C<4>,4|H<1>}	109.8770	0.000	1	109.8770	0.000	1	109.7345	0.318	6	109.7831	0.525	28	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	2:4:2:4:	4:1:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]CC)(O[5]O[5])(CH3)	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5,6](C[5,6]C[6]O[5]C)2	C[5,6](O[5,6]C[5,6])(C[6]C[6]CC)(O[5]O[5])(CH3){2|C<4>,2|H<1>}	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5,6](C[5,6]C[6]O[5]C)2{1|C<3>,2|C<4>,2|H<1>}	109.8127	0.604	3	109.1296	0.540	7	109.8076	0.757	17	109.7831	0.525	28	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	2:4:2:4:	4:1:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]CC)(O[5]O[5])(CH3)	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5,6](C[5,6]C[6]O[5]C)2	C[5,6](O[5,6]C[5,6])(C[6]C[6]CC)(O[5]O[5])(CH3){4|C<4>}	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5,6](C[5,6]C[6]O[5]C)2{5|C<4>}	108.6172	0.143	4	109.1296	0.540	7	109.8076	0.757	17	109.7831	0.525	28	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	2:4:2:4:	4:1:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(O[5]O[5])(CH3)	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5,6](C[5,6]C[6]O[5]C)2	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(O[5]O[5])(CH3){2|C<4>,2|H<1>}	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5,6](C[5,6]C[6]O[5]C)2{1|C<3>,1|C<4>,3|H<1>}	110.7800	0.000	1	110.7800	0.000	1	109.8076	0.757	17	109.7831	0.525	28	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	2:4:2:4:	4:1:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])(CH3)	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])(CH3){3|C<3>,3|H<1>}	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	109.1990	0.000	1	109.1990	0.000	1	109.8076	0.757	17	109.7831	0.525	28	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	2:4:2:4:	4:1:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])(CH3)	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5,6](C[5,6]C[5]N[6]N)(C[5,6]C[6]O[5]C)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5,6](C[5,6]C[5]N[6]N)(C[5,6]C[6]O[5]C){2|C<3>,3|H<1>}	109.9240	0.000	1	109.9240	0.000	1	109.8076	0.757	17	109.7831	0.525	28	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	2:4:2:4:	4:1:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(CH3)	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5,6](C[5,6]C[6]O[5]C)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5,6](C[5,6]C[6]O[5]C)(C[5,6]C[6]O[5]H){1|C<4>,4|H<1>}	110.9520	0.000	1	110.9520	0.000	1	109.8076	0.757	17	109.7831	0.525	28	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	2:4:2:4:	4:1:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(CH3)	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5,6](C[5,6]C[6]O[5]C)2	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(CH3){2|C<4>,2|H<1>}	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5,6](C[5,6]C[6]O[5]C)2{1|C<3>,1|C<4>,3|H<1>}	110.2930	0.000	1	110.2188	0.401	4	109.8076	0.757	17	109.7831	0.525	28	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	2:4:2:4:	4:1:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(CH3)	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5,6](C[5,6]C[6]O[5]C)2	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(CH3){2|C<4>,2|H<1>}	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5,6](C[5,6]C[6]O[5]C)2{1|C<3>,2|C<4>,2|H<1>}	110.1940	0.774	3	110.2188	0.401	4	109.8076	0.757	17	109.7831	0.525	28	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	2:4:2:4:	4:1:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(CH3)	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5,6](C[5,6]C[5]O[6]C)(C[5,6]C[6]O[5]C)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5,6](C[5,6]C[5]O[6]C)(C[5,6]C[6]O[5]C){1|C<4>,1|O<2>,3|H<1>}	110.6920	0.000	1	110.6920	0.000	1	109.8076	0.757	17	109.7831	0.525	28	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	2:4:2:4:	4:1:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]N[6]HH)(O[5]C[5])(CH3)	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]C)	C[5,6](O[5,6]C[5,6])(C[6]N[6]HH)(O[5]C[5])(CH3){1|C<4>,1|S<4>,3|H<1>}	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]C){1|N<3>,6|H<1>}	110.4010	0.000	1	110.4010	0.000	1	109.8076	0.757	17	109.7831	0.525	28	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	2:4:2:4:	4:2:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(CCHH)	C(C[5,6]O[5,6]C[6]O[5])(CN)(H)2	O[5,6](C[5,6]C[6]O[5]C)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(CCHH){1|C<4>,3|H<1>}	C(C[5,6]O[5,6]C[6]O[5])(CN)(H)2	O[5,6](C[5,6]C[6]O[5]C)(C[5,6]C[6]O[5]H){1|C<4>,4|H<1>}	109.4860	0.000	1	109.4860	0.000	1	109.4860	0.000	1	109.4860	0.000	1	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	2:4:2:4:	4:3:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6a]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,5,6])(C[6]C[6]HH)(O[5]C[5,5])(CC[6a]HH)	C(C[5,6]O[5,6]C[6]O[5])(C[6a]C[6a]2)(H)2	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]C)	C[5,6](O[5,6]C[5,5,6])(C[6]C[6]HH)(O[5]C[5,5])(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C(C[5,6]O[5,6]C[6]O[5])(C[6a]C[6a]2)(H)2	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[6]O[5]C){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	111.1145	0.132	2	111.1145	0.017	2	111.1145	0.017	2	111.1145	0.017	2	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	2:4:2:4:	4:4:1:1:	4:4:	O[5,6]-2:C[5]-4:O[6]-2:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(O[6]C[6])(CCHH)	C(C[5,6]O[5,6]C[5]O[6])(CC[6a]HH)(H)2	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]O[6]C)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(O[6]C[6])(CCHH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[5,6]O[5,6]C[5]O[6])(CC[6a]HH)(H)2	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]O[6]C){1|C<4>,1|O<2>,5|H<1>}	109.4680	0.000	1	109.4680	0.000	1	109.4680	0.000	1	109.3185	0.045	2	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	2:4:2:4:	4:4:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])(CCHH)	C(C[5,6]O[5,6]C[6]O[5])(CHHO)(H)2	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])(CCHH){1|C<4>,2|C<3>,3|H<1>}	C(C[5,6]O[5,6]C[6]O[5])(CHHO)(H)2	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	109.1690	0.000	1	109.1690	0.000	1	109.1690	0.000	1	109.3185	0.045	2	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	2:4:2:4:	4:4:4:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C-4:C-4:H-1:	C[5,5,6,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,5,6,6])(C[6]C[5,3x6]HH)(O[5]C[5,5,6])(CCCH)	C(C[5,6]O[5,6]C[6]O[5])(CH3)2(H)	O[5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C)(C[5,6]C[6]O[5]C)	C[5,6](O[5,6]C[5,5,6,6])(C[6]C[5,3x6]HH)(O[5]C[5,5,6])(CCCH){2|O<2>,4|C<4>}	C(C[5,6]O[5,6]C[6]O[5])(CH3)2(H)	O[5,6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C)(C[5,6]C[6]O[5]C){2|H<1>,2|O<2>,3|C<4>}	112.2230	0.000	1	112.2230	0.000	1	112.2230	0.000	1	110.5237	3.657	3	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	2:4:2:4:	4:4:4:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C-4:C-4:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[6]C[3x6]HH)(O[5]C[5,6])(CCCH)	C(C[5,6]O[5,6]C[6]O[5])(CH3)2(H)	O[5,6](C[5,6,6]C[3x6]C[5,6]C)(C[5,6]C[6]O[5]C)	C[5,6](O[5,6]C[5,6,6])(C[6]C[3x6]HH)(O[5]C[5,6])(CCCH){2|O<2>,4|C<4>}	C(C[5,6]O[5,6]C[6]O[5])(CH3)2(H)	O[5,6](C[5,6,6]C[3x6]C[5,6]C)(C[5,6]C[6]O[5]C){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	109.6740	1.727	2	109.6740	2.982	2	109.6740	2.982	2	110.5237	3.657	3	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	2:4:3:4:	4:1:1:1:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C(C[5,6]O[5,6]C[5]C[6])(H)3	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|C<4>,1|O<1>,2|H<1>}	C(C[5,6]O[5,6]C[5]C[6])(H)3	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	109.2680	0.000	1	109.2680	0.000	1	107.8037	1.757	3	107.8037	1.757	3	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	2:4:3:4:	4:1:1:1:	4:4:	O[5,6]-2:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C(C[5,6]O[5,6]C[5]C[6])(H)3	O[5,6](C[5,6]C[5]C[6]C)2	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]C)(CH3){3|C<3>,3|H<1>}	C(C[5,6]O[5,6]C[5]C[6])(H)3	O[5,6](C[5,6]C[5]C[6]C)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	107.0715	0.545	2	107.0715	0.297	2	107.8037	1.757	3	107.8037	1.757	3	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	2:4:3:4:	4:2:1:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-3:C-4:	C[5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(CHHO)	C(C[5,6]O[5,6]C[5]C[6])(OSi)(H)2	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]C)	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(CHHO){1|C<3>,2|C<4>,2|H<1>}	C(C[5,6]O[5,6]C[5]C[6])(OSi)(H)2	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]C){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	110.1310	0.000	1	110.1310	0.000	1	110.1310	0.000	1	110.1310	0.000	1	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	2:4:3:4:	4:3:1:1:	6:4:	O[5,6]-2:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C-3:H-1:H-1:	Ga[5,5,6,6]-6:C[5,6]-4:	C[5,6](O[5,6]Ga[5,5,6,6])(C[6]C[6]HH)(C[5]O[5]O)(CCHH)	C(C[5,6]O[5,6]C[5]C[6])(COO)(H)2	O[5,6](Ga[5,5,6,6]O[5,6]O[5]2O[6]2)(C[5,6]C[5]C[6]C)	C[5,6](O[5,6]Ga[5,5,6,6])(C[6]C[6]HH)(C[5]O[5]O)(CCHH){1|O<1>,4|O<2>}	C(C[5,6]O[5,6]C[5]C[6])(COO)(H)2	O[5,6](Ga[5,5,6,6]O[5,6]O[5]2O[6]2)(C[5,6]C[5]C[6]C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	110.1970	0.000	1	110.1970	0.000	1	110.1970	0.000	1	110.1970	0.000	1	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	2:4:3:4:	4:4:1:1:	4:4:	O[5,6]-2:C[5]-4:N[6]-3:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(N[6]C[6]O)(CCHH)	C(C[5,6]O[5,6]C[5]N[6])(CCHH)(H)2	O[5,6](C[5,6]C[5]C[6]O)(C[5,6]C[5]N[6]C)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(N[6]C[6]O)(CCHH){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[5,6]O[5,6]C[5]N[6])(CCHH)(H)2	O[5,6](C[5,6]C[5]C[6]O)(C[5,6]C[5]N[6]C){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	111.1960	0.000	1	111.1960	0.000	1	111.1960	0.000	1	111.1960	0.000	1	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	2:4:4:4:	4:1:1:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[3x5,6])(C[5]C[5,5]HO)(C[6]C[6]CH)(CH3)	C(C[5,6]O[5,6]C[5]C[6])(H)3	O[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5]C[6]C)	C[5,6](O[5,6]C[3x5,6])(C[5]C[5,5]HO)(C[6]C[6]CH)(CH3){1|C<4>,2|H<1>,3|C<3>}	C(C[5,6]O[5,6]C[5]C[6])(H)3	O[5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5]C[6]C){2|C<4>,2|H<1>,2|O<2>,5|C<3>}	107.0715	0.329	2	107.0715	0.108	2	107.0715	0.108	2	107.4994	1.103	8	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	2:4:4:4:	4:1:1:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C(C[5,6]O[5,6]C[5]C[6])(H)3	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]O[6]C)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C(C[5,6]O[5,6]C[5]C[6])(H)3	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]O[6]C){1|C<4>,1|O<2>,5|H<1>}	108.0490	0.000	1	108.0490	0.000	1	106.7723	1.254	3	107.4994	1.103	8	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	2:4:4:4:	4:1:1:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]SiH)(C[6]C[6]HH)(CH3)	C(C[5,6]O[5,6]C[5]C[6])(H)3	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]O)	C[5,6](O[5,6]C[5,6])(C[5]C[5]SiH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|H<1>}	C(C[5,6]O[5,6]C[5]C[6])(H)3	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]O){1|Si<4>,2|C<4>,6|H<1>}	106.1340	0.253	2	106.1340	0.064	2	106.7723	1.254	3	107.4994	1.103	8	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	2:4:4:4:	4:1:1:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:I-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(C[6]C[5,6]HO)(CHHI)	C(C[5,6]O[5,6]C[5]C[6])(H)2(I)	O[5,6](C[5,6,6]C[5,6]2C[6])(C[5,6]C[5]C[6]C)	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]HH)(C[6]C[5,6]HO)(CHHI){1|H<1>,1|O<2>,4|C<4>}	C(C[5,6]O[5,6]C[5]C[6])(H)2(I)	O[5,6](C[5,6,6]C[5,6]2C[6])(C[5,6]C[5]C[6]C){1|O<2>,5|C<4>,6|H<1>}	108.2890	0.000	1	108.2890	0.000	1	108.2890	0.000	1	107.4994	1.103	8	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	2:4:4:4:	4:1:1:1:	4:4:	O[5,6]-2:C[6]-4:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]BrH)(C[5]C[5]HO)(CH3)	C(C[5,6]O[5,6]C[5]C[6])(H)3	O[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]C)	C[5,6](O[5,6]C[5,6])(C[6]C[6]BrH)(C[5]C[5]HO)(CH3){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	C(C[5,6]O[5,6]C[5]C[6])(H)3	O[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]C){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,6|H<1>}	108.6230	0.079	2	108.6230	0.006	2	108.6230	0.006	2	107.4994	1.103	8	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	2:4:4:4:	4:2:1:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(CCHH)	C(C[5,6]O[5,6]C[5]C[6])(CC)(H)2	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]O[6]C)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(CCHH){1|C<2>,1|O<2>,4|H<1>}	C(C[5,6]O[5,6]C[5]C[6])(CC)(H)2	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]O[6]C){1|C<4>,6|H<1>}	106.2190	0.000	1	106.2190	0.000	1	106.2190	0.000	1	106.8137	1.906	3	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	2:4:4:4:	4:2:1:1:	4:4:	O[5,6]-2:C[5]-4:C[6]-4:C-4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(CHHO)	C(C[5,6]O[5,6]C[5]C[6])(OC)(H)2	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H)	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]HO)(CHHO){1|C<4>,1|O<2>,2|H<1>}	C(C[5,6]O[5,6]C[5]C[6])(OC)(H)2	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]H){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	108.3920	0.000	1	108.3920	0.000	1	108.3920	0.000	1	106.8137	1.906	3	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	2:4:4:4:	4:2:1:1:	4:4:	O[5,6]-2:C[6]-4:C[5]-4:C-4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[6]C[5,6]BrH)(C[5]C[5,6]HH)(CHHO)	C(C[5,6]O[5,6]C[5]C[6])(OSi)(H)2	O[5,6](C[5,6,6]C[5,6]2C[6])(C[5,6]C[5]C[6]C)	C[5,6](O[5,6]C[5,6,6])(C[6]C[5,6]BrH)(C[5]C[5,6]HH)(CHHO){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C(C[5,6]O[5,6]C[5]C[6])(OSi)(H)2	O[5,6](C[5,6,6]C[5,6]2C[6])(C[5,6]C[5]C[6]C){1|Br<1>,1|C<3>,4|C<4>,6|H<1>}	105.8300	0.000	1	105.8300	0.000	1	105.8300	0.000	1	106.8137	1.906	3	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	3:2:2:4:	4:1:1:1:	4:4:	C[6,6]-3:O[5,6]-2:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6]C[6,6]N[6])(O[5,6]C[5,6])(O[5]O[5])(CH3)	C(C[5,6]C[6,6]O[5,6]O[5])(H)3	O[5,6](C[5,6]C[6,6]O[5]C)(C[5,6]C[6]O[5]C)	C[5,6](C[6,6]C[6,6]N[6])(O[5,6]C[5,6])(O[5]O[5])(CH3){2|C<3>,3|C<4>}	C(C[5,6]C[6,6]O[5,6]O[5])(H)3	O[5,6](C[5,6]C[6,6]O[5]C)(C[5,6]C[6]O[5]C){1|C<4>,1|N<2>,2|H<1>}	110.8840	0.000	1	110.8840	0.000	1	110.8840	0.000	1	110.8840	0.000	1	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	3:2:3:4:	4:1:1:1:	4:4:	C[5,6a]-3:O[5,6]-2:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6]C[6]H)(CH3)	C(C[5,6]C[5,6a]O[5,6]C[6])(H)3	O[5,6](C[5,6]C[5,6a]C[6]C)(C[5,6]C[5,6a]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6]C[6]H)(CH3){1|C<4>,2|H<1>,3|C<3>}	C(C[5,6]C[5,6a]O[5,6]C[6])(H)3	O[5,6](C[5,6]C[5,6a]C[6]C)(C[5,6]C[5,6a]C[6]H){3|C<3>,3|H<1>}	110.1210	0.000	1	110.1210	0.000	1	110.1210	0.000	1	108.6230	2.268	3	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	3:2:3:4:	4:1:1:1:	4:4:	C[6,6a]-3:O[5,6]-2:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]H)(CH3)	C(C[5,6]C[6,6a]O[5,6]C[5])(H)3	O[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[6,6a]C[5]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,4|C<3>}	C(C[5,6]C[6,6a]O[5,6]C[5])(H)3	O[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[6,6a]C[5]C){2|Cl<1>,1|H<1>,5|C<3>}	107.8740	1.082	2	107.8740	1.170	2	107.8740	1.170	2	108.6230	2.268	3	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	3:2:3:4:	4:4:3:1:	4:4:	C[5]-3:O[5,6]-2:C[6]-3:C-4:	C[5,6]-4:C-4:N-3:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]H)(CCHN)	C(C[5,6]O[5,6]C[5]C[6])(CCHH)(NCH)(H)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)	C[5,6](C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]H)(CCHN){1|C<4>,2|C<3>,3|H<1>}	C(C[5,6]O[5,6]C[5]C[6])(CCHH)(NCH)(H)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H){1|O<2>,2|C<3>,3|H<1>}	112.9220	0.000	1	112.7130	0.087	2	112.7130	0.087	2	112.7130	0.087	2	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	3:2:3:4:	4:4:3:1:	4:4:	C[5]-3:O[5,6]-2:C[6]-3:C-4:	C[5,6]-4:C-4:N-3:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]H)(CCHN)	C(C[5,6]O[5,6]C[5]C[6])(CCHH)(NCH)(H)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)	C[5,6](C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]H)(CCHN){3|C<3>,3|H<1>}	C(C[5,6]O[5,6]C[5]C[6])(CCHH)(NCH)(H)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H){1|O<1>,2|C<3>,2|H<1>}	112.5040	0.000	1	112.7130	0.087	2	112.7130	0.087	2	112.7130	0.087	2	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	4:2:2:4:	4:1:1:1:	4:4:	C[5]-4:O[5,6]-2:O[6]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5]C[5a]N[5]H)(O[5,6]C[5,6])(O[6]C[6,6a])(CH3)	C(C[5,6]O[5,6]C[5]O[6])(H)3	O[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[5]O[6]C)	C[5,6](C[5]C[5a]N[5]H)(O[5,6]C[5,6])(O[6]C[6,6a])(CH3){1|H<1>,1|S<4>,4|C<3>}	C(C[5,6]O[5,6]C[5]O[6])(H)3	O[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[5]O[6]C){1|H<1>,1|S<4>,3|C<3>}	110.4580	0.000	1	110.4580	0.000	1	110.4580	0.000	1	110.7585	0.181	2	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	4:2:2:4:	4:1:1:1:	4:4:	C[6]-4:O[5,6]-2:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(O[5]O[5])(CH3)	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5,6](C[5,6]C[6,6]O[5]C)(C[5,6]C[6]O[5]C)	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(O[5]O[5])(CH3){2|C<3>,2|C<4>}	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5,6](C[5,6]C[6,6]O[5]C)(C[5,6]C[6]O[5]C){1|C<4>,1|N<2>,2|H<1>}	111.0590	0.000	1	111.0590	0.000	1	111.0590	0.000	1	110.7585	0.181	2	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	4:2:2:4:	4:2:1:1:	4:4:	C[6]-4:O[5,6]-2:O[5]-2:C-4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(O[5]C[5])(CHHO)	C(C[5,6]O[5,6]C[6]O[5])(OH)(H)2	O[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]C)	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(O[5]C[5])(CHHO){1|C<4>,1|O<2>,4|H<1>}	C(C[5,6]O[5,6]C[6]O[5])(OH)(H)2	O[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]C){1|C<4>,2|O<2>,4|H<1>}	109.8770	0.000	1	109.8770	0.000	1	109.8770	0.000	1	109.8770	0.000	1	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	4:2:3:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5,6]-2:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5,5]O)(CH3)	C(C[5,6]C[5,6]O[5,6]C[5])(H)3	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5]C)	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5,5]O)(CH3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C(C[5,6]C[5,6]O[5,6]C[5])(H)3	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5]C){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	110.2950	0.000	1	110.2950	0.000	1	110.2950	0.000	1	109.3725	0.432	4	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	4:2:3:4:	4:1:1:1:	4:4:	C[6,6]-4:O[5,6]-2:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]H)(CH3)	C(C[5,6]C[6,6]O[5,6]C[5])(H)3	O[5,6](C[5,6]C[6,6]C[5]C)2	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]H)(CH3){1|O<1>,3|C<4>,3|H<1>}	C(C[5,6]C[6,6]O[5,6]C[5])(H)3	O[5,6](C[5,6]C[6,6]C[5]C)2{1|C<3>,2|C<4>,4|H<1>}	109.0420	0.396	2	109.0420	0.157	2	109.0420	0.157	2	109.3725	0.432	4	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	4:2:3:4:	4:1:1:1:	4:4:	C[6]-4:O[5,6]-2:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]C)(CH3)	C(C[5,6]O[5,6]C[5]C[6])(H)3	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]C)(CH3){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[5,6]O[5,6]C[5]C[6])(H)3	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	109.1110	0.000	1	109.1110	0.000	1	109.1110	0.000	1	109.3725	0.432	4	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	4:2:3:4:	4:4:1:1:	4:4:	C[3,5]-4:O[5,6]-2:N[6]-3:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[3,5]C[3,5]O[3]H)(O[5,6]C[5,6])(N[6]C[6]O)(CCHH)	C(C[5,6]C[3,5]O[5,6]N[6])(CCHH)(H)2	O[5,6](C[5,6]C[3,5]C[6]O)(C[5,6]C[3,5]N[6]C)	C[5,6](C[3,5]C[3,5]O[3]H)(O[5,6]C[5,6])(N[6]C[6]O)(CCHH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[5,6]C[3,5]O[5,6]N[6])(CCHH)(H)2	O[5,6](C[5,6]C[3,5]C[6]O)(C[5,6]C[3,5]N[6]C){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	110.8880	0.000	1	110.8880	0.000	1	110.8880	0.000	1	110.8880	0.000	1	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	4:2:4:1:	4:1:1:1:	4:4:	C[5,5,6]-4:O[5,6]-2:C-4:H-1:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])(CH3)(H)	C(C[5,6]C[5,5,6]O[5,6]H)(H)3	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5,6]C[5,5,6]O[5,6]H)(H)3	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH){1|C<4>,1|N<3>,2|H<1>,2|O<2>}	110.2660	0.000	1	110.2660	0.000	1	110.2660	0.000	1	110.2660	0.000	1	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	4:2:4:4:	4:1:1:1:	4:4:	C[5,5,6]-4:O[5,6]-2:C-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,3x6]-4:C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(O[5,6]C[5,5,3x6])(CH3)2	C(C[5,6]C[5,5,6]O[5,6]C)(H)3	O[5,6](C[5,5,3x6]C[5,5,3x6]C[3x6]O[5,5])(C[5,6]C[5,5,6]CC)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(O[5,6]C[5,5,3x6])(CH3)2{2|C<4>,2|H<1>}	C(C[5,6]C[5,5,6]O[5,6]C)(H)3	O[5,6](C[5,5,3x6]C[5,5,3x6]C[3x6]O[5,5])(C[5,6]C[5,5,6]CC){1|O<2>,2|H<1>,4|C<4>}	108.4980	0.515	2	108.4980	0.265	2	108.4980	0.265	2	108.0355	0.805	25	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	4:2:4:4:	4:1:1:1:	4:4:	C[5,5,6]-4:O[5,6]-2:C-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(CCHH)(CH3)	C(C[5,6]C[5,5,6]O[5,6]C)(H)3	O[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CC)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(CCHH)(CH3){1|C<4>,2|O<2>,3|H<1>}	C(C[5,6]C[5,5,6]O[5,6]C)(H)3	O[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CC){1|O<2>,2|C<4>,3|H<1>}	109.5420	0.164	2	109.5420	0.027	2	109.2210	0.920	5	108.0355	0.805	25	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	4:2:4:4:	4:1:1:1:	4:4:	C[5,5,6]-4:O[5,6]-2:C-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(O[5,6]C[5,5,6])(CH3)2	C(C[5,6]C[5,5,6]O[5,6]C)(H)3	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C[6a])(C[5,6]C[5,5,6]CC)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(O[5,6]C[5,5,6])(CH3)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[5,6]C[5,5,6]O[5,6]C)(H)3	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C[6a])(C[5,6]C[5,5,6]CC){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	109.7470	0.153	2	109.7470	0.023	2	109.2210	0.920	5	108.0355	0.805	25	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	4:2:4:4:	4:1:1:1:	4:4:	C[5,5,6]-4:O[5,6]-2:C-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[5,6]C[5,5,6])(CCHH)(CH3)	C(C[5,6]C[5,5,6]O[5,6]C)(H)3	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[5,6]C[5,5,6])(CCHH)(CH3){1|O<2>,2|C<4>,3|H<1>}	C(C[5,6]C[5,5,6]O[5,6]C)(H)3	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC){1|C<4>,1|O<2>,4|H<1>}	107.5270	0.000	1	107.5270	0.000	1	109.2210	0.920	5	108.0355	0.805	25	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	4:2:4:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5,6]-2:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(CH3)	C(C[5,6]C[5,6]O[5,6]C[5])(H)3	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5]C)	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C(C[5,6]C[5,6]O[5,6]C[5])(H)3	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5]C){1|C<4>,1|O<2>,2|C<3>,8|H<1>}	108.6210	0.000	1	108.4465	0.061	2	108.4465	0.061	2	108.0355	0.805	25	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	4:2:4:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5,6]-2:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(CH3)	C(C[5,6]C[5,6]O[5,6]C[5])(H)3	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5]C)	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5,5]HH)(CH3){1|O<2>,4|C<4>,4|H<1>}	C(C[5,6]C[5,6]O[5,6]C[5])(H)3	O[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5]C){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	108.2720	0.000	1	108.4465	0.061	2	108.4465	0.061	2	108.0355	0.805	25	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	4:2:4:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5,6]-2:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[3,5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(CH3)	C(C[5,6]C[5,6]O[5,6]C[5])(H)3	O[5,6](C[5,6]C[3,6]C[5]C)(C[5,6]C[5,6]C[5]C)	C[5,6](C[5,6]C[3,5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(CH3){1|O<2>,4|C<4>,4|H<1>}	C(C[5,6]C[5,6]O[5,6]C[5])(H)3	O[5,6](C[5,6]C[3,6]C[5]C)(C[5,6]C[5,6]C[5]C){1|O<2>,2|C<4>,6|H<1>}	107.6540	0.000	1	107.6540	0.000	1	107.6659	0.192	7	108.0355	0.805	25	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	4:2:4:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5,6]-2:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]CH)(CH3)	C(C[5,6]C[5,6]O[5,6]C[5])(H)3	O[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]CH)(CH3){4|C<4>,5|H<1>}	C(C[5,6]C[5,6]O[5,6]C[5])(H)3	O[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	107.0160	0.000	1	107.0160	0.000	1	107.6659	0.192	7	108.0355	0.805	25	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	4:2:4:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5,6]-2:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(CH3)	C(C[5,6]C[5,6]O[5,6]C[5])(H)3	O[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C(C[5,6]C[5,6]O[5,6]C[5])(H)3	O[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	107.6190	0.000	1	107.5470	0.068	3	107.6659	0.192	7	108.0355	0.805	25	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	4:2:4:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5,6]-2:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(CH3)	C(C[5,6]C[5,6]O[5,6]C[5])(H)3	O[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HH)(CH3){4|C<4>,5|H<1>}	C(C[5,6]C[5,6]O[5,6]C[5])(H)3	O[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C){1|O<2>,2|C<4>,6|H<1>}	107.5110	0.359	2	107.5470	0.068	3	107.6659	0.192	7	108.0355	0.805	25	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	4:2:4:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5,6]-2:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HO)(CH3)	C(C[5,6]C[5,6]O[5,6]C[5])(H)3	O[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,6])(C[5]C[5]HO)(CH3){1|C<3>,3|C<4>,5|H<1>}	C(C[5,6]C[5,6]O[5,6]C[5])(H)3	O[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	108.0440	0.000	1	108.0440	0.000	1	107.6659	0.192	7	108.0355	0.805	25	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	4:2:4:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5,6]-2:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]CH)(CH3)	C(C[5,6]C[5,6]O[5,6]C[5])(H)3	O[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]H)	C[5,6](C[5,6]C[5,6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]CH)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[5,6]C[5,6]O[5,6]C[5])(H)3	O[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	108.3060	0.000	1	108.3060	0.000	1	107.6659	0.192	7	108.0355	0.805	25	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	4:2:4:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5,6]-2:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6]O[5,6]C[6])(H)3	O[5,6](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]C)	C[5,6](C[5,6]C[5,6]C[6]C)(O[5,6]C[5,6])(C[6]C[6]HH)(CH3){3|C<4>,6|H<1>}	C(C[5,6]C[5,6]O[5,6]C[6])(H)3	O[5,6](C[5,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[6]C){1|C<3>,2|S<2>,3|C<4>,3|H<1>}	107.7495	0.611	4	107.7495	0.374	4	107.7495	0.374	4	108.0355	0.805	25	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5,6]-2:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[4x5,3x6]-4:C[5,6]-4:	C[5,6](C[5]C[4x5,6,6]HH)(O[5,6]C[4x5,3x6])(C[6]C[6]HH)(CH3)	C(C[5,6]O[5,6]C[5]C[6])(H)3	O[5,6](C[4x5,3x6]C[3x5,3x6]C[4x5,6,6]C[5,5,6])(C[5,6]C[5]C[6]C)	C[5,6](C[5]C[4x5,6,6]HH)(O[5,6]C[4x5,3x6])(C[6]C[6]HH)(CH3){1|C<3>,2|H<1>,3|C<4>}	C(C[5,6]O[5,6]C[5]C[6])(H)3	O[5,6](C[4x5,3x6]C[3x5,3x6]C[4x5,6,6]C[5,5,6])(C[5,6]C[5]C[6]C){1|C<3>,5|C<4>,6|H<1>}	106.7120	0.000	1	106.7120	0.000	1	106.7120	0.000	1	108.0355	0.805	25	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5,6]-2:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5]C[3,5]HH)(O[5,6]C[5,6])(C[6]C[6]HH)(CH3)	C(C[5,6]O[5,6]C[5]C[6])(H)3	O[5,6](C[5,6]C[3,5]C[5,6]C)(C[5,6]C[5]C[6]C)	C[5,6](C[5]C[3,5]HH)(O[5,6]C[5,6])(C[6]C[6]HH)(CH3){1|O<2>,2|H<1>,3|C<4>}	C(C[5,6]O[5,6]C[5]C[6])(H)3	O[5,6](C[5,6]C[3,5]C[5,6]C)(C[5,6]C[5]C[6]C){2|C<4>,3|O<2>,4|H<1>}	107.4460	0.000	1	107.4460	0.000	1	107.4460	0.000	1	108.0355	0.805	25	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	4:2:4:4:	4:1:1:1:	4:4:	C[6,6]-4:O[5,6]-2:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[5]C[5]HH)(CH3)	C(C[5,6]C[6,6]O[5,6]C[5])(H)3	O[5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5]C[6]S)	C[5,6](C[6,6]C[6,6]C[6]C)(O[5,6]C[5,6])(C[5]C[5]HH)(CH3){1|S<2>,3|C<4>,5|H<1>}	C(C[5,6]C[6,6]O[5,6]C[5])(H)3	O[5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5]C[6]S){1|C<3>,1|S<2>,2|C<4>,5|H<1>}	106.8420	0.000	1	106.8420	0.000	1	106.8420	0.000	1	108.0355	0.805	25	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	4:2:4:4:	4:1:1:1:	4:4:	C[6]-4:O[5,6]-2:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH)(CH3)	C(C[5,6]O[5,6]C[5]C[6])(H)3	O[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]C)	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(C[5]C[5]HH)(CH3){2|C<4>,4|H<1>}	C(C[5,6]O[5,6]C[5]C[6])(H)3	O[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]C){3|C<4>,6|H<1>}	107.6170	0.294	2	107.6170	0.087	2	107.6170	0.087	2	108.0355	0.805	25	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	4:2:4:4:	4:1:1:1:	5:4:	C[5,5,6]-4:O[5,6]-2:C-4:C-4:	C[5,6]-4:F-1:F-1:F-1:	P[3x5,6]-5:C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(O[5,6]P[3x5,6])(CF3)2	C(C[5,6]C[5,5,6]O[5,6]C)(F)3	O[5,6](P[3x5,6]O[5,5]O[5,6]O[5]2)(C[5,6]C[5,5,6]CC)	C[5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(O[5,6]P[3x5,6])(CF3)2{1|H<1>,3|C<3>,3|O<2>}	C(C[5,6]C[5,5,6]O[5,6]C)(F)3	O[5,6](P[3x5,6]O[5,5]O[5,6]O[5]2)(C[5,6]C[5,5,6]CC){1|C<3>,3|C<4>}	106.4315	1.343	2	106.4315	1.803	2	106.4315	1.803	2	106.4315	1.803	2	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	4:2:4:4:	4:4:1:1:	4:4:	C[5,5,6]-4:O[5,6]-2:C-4:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(CCHH)(CH3)	C(C[5,6]C[5,5,6]O[5,6]C)(CC[4,5]HO)(H)2	O[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CC)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(O[5,6]C[5,5,6])(CCHH)(CH3){1|C<4>,2|O<2>,3|H<1>}	C(C[5,6]C[5,5,6]O[5,6]C)(CC[4,5]HO)(H)2	O[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]CC){1|O<2>,2|C<4>,3|H<1>}	110.2120	0.113	2	110.2120	0.013	2	109.4983	1.534	3	109.4983	1.534	3	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	4:2:4:4:	4:4:1:1:	4:4:	C[5,5,6]-4:O[5,6]-2:C-4:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[5,6]C[5,5,6])(CCHH)(CH3)	C(C[5,6]C[5,5,6]O[5,6]C)(CCHH)(H)2	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[5,6]C[5,5,6])(CCHH)(CH3){1|O<2>,2|C<4>,3|H<1>}	C(C[5,6]C[5,5,6]O[5,6]C)(CCHH)(H)2	O[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC){1|C<4>,1|O<2>,4|H<1>}	108.0710	0.000	1	108.0710	0.000	1	109.4983	1.534	3	109.4983	1.534	3	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	4:2:4:4:	4:4:4:1:	4:4:	C[3,6]-4:O[5,6]-2:C[5]-4:C-4:	C[5,6]-4:C-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[3,6]C[3,5,6]O[3]H)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH)	C(C[5,6]C[3,6]O[5,6]C[5])(CH3)2(H)	O[5,6](C[5,6]C[3,6]C[5]C)(C[5,6]C[5,6]C[5]C)	C[5,6](C[3,6]C[3,5,6]O[3]H)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH){2|H<1>,3|C<4>}	C(C[5,6]C[3,6]O[5,6]C[5])(CH3)2(H)	O[5,6](C[5,6]C[3,6]C[5]C)(C[5,6]C[5,6]C[5]C){1|O<2>,2|C<4>,6|H<1>}	107.7480	0.000	1	107.7480	0.000	1	107.7480	0.000	1	108.0522	2.325	6	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	4:2:4:4:	4:4:4:1:	4:4:	C[5]-4:O[5,6]-2:C[6]-4:C-4:	C[5,6]-4:C-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]HH)(CCCH)	C(C[5,6]O[5,6]C[5]C[6])(CH3)2(H)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]O)	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]HH)(CCCH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C(C[5,6]O[5,6]C[5]C[6])(CH3)2(H)	O[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]O){1|C<3>,2|C<4>,6|H<1>}	105.6250	0.000	1	105.6250	0.000	1	105.6250	0.000	1	108.0522	2.325	6	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	4:2:4:4:	4:4:4:1:	4:4:	C[6]-4:O[5,6]-2:C[5]-4:C-4:	C[5,6]-4:C-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH)	C(C[5,6]O[5,6]C[5]C[6])(CH3)2(H)	O[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH){1|C<3>,2|C<4>,2|H<1>}	C(C[5,6]O[5,6]C[5]C[6])(CH3)2(H)	O[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	109.5350	0.000	1	108.7350	1.259	4	108.7350	1.259	4	108.0522	2.325	6	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	4:2:4:4:	4:4:4:1:	4:4:	C[6]-4:O[5,6]-2:C[5]-4:C-4:	C[5,6]-4:C-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH)	C(C[5,6]O[5,6]C[5]C[6])(CH3)2(H)	O[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH){1|C<3>,2|H<1>,3|C<4>}	C(C[5,6]O[5,6]C[5]C[6])(CH3)2(H)	O[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	109.1030	0.000	1	108.7350	1.259	4	108.7350	1.259	4	108.0522	2.325	6	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	4:2:4:4:	4:4:4:1:	4:4:	C[6]-4:O[5,6]-2:C[5]-4:C-4:	C[5,6]-4:C-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH)	C(C[5,6]O[5,6]C[5]C[6])(CH3)2(H)	O[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(C[5]C[5]HH)(CCCH){3|C<4>,3|H<1>}	C(C[5,6]O[5,6]C[5]C[6])(CH3)2(H)	O[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C){1|O<2>,2|C<4>,6|H<1>}	108.1510	1.523	2	108.7350	1.259	4	108.7350	1.259	4	108.0522	2.325	6	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	4:3:2:4:	4:1:1:1:	4:4:	C[5,5]-4:C[6]-3:O[5,6]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,5]C[5,5]N[5]H)(C[6]C[5a,6]O)(O[5,6]C[5,6])(CH3)	C(C[5,6]C[5,5]O[5,6]C[6])(H)3	O[5,6](C[5,6]C[5a,6]C[5,5]H)(C[5,6]C[5,5]C[6]C)	C[5,6](C[5,5]C[5,5]N[5]H)(C[6]C[5a,6]O)(O[5,6]C[5,6])(CH3){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C(C[5,6]C[5,5]O[5,6]C[6])(H)3	O[5,6](C[5,6]C[5a,6]C[5,5]H)(C[5,6]C[5,5]C[6]C){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	108.0400	0.027	2	108.0400	0.001	2	108.0400	0.001	2	108.4565	0.465	4	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	4:3:2:4:	4:1:1:1:	4:4:	C[5,6]-4:C[6]-3:O[5,6]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[5a,6]O)(O[5,6]C[5,6])(CH3)	C(C[5,6]C[5,6]O[5,6]C[6])(H)3	O[5,6](C[5,6]C[5a,6]C[5,6]H)(C[5,6]C[5,6]C[6]C)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[5a,6]O)(O[5,6]C[5,6])(CH3){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[5,6]C[5,6]O[5,6]C[6])(H)3	O[5,6](C[5,6]C[5a,6]C[5,6]H)(C[5,6]C[5,6]C[6]C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	108.2810	0.000	1	108.2810	0.000	1	108.2810	0.000	1	108.4565	0.465	4	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	4:3:2:4:	4:1:1:1:	4:4:	C[5]-4:C[6]-3:O[5,6]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5]C[6a]C[5]H)(C[6]C[5a,6]O)(O[5,6]C[5,6])(CH3)	C(C[5,6]O[5,6]C[5]C[6])(H)3	O[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[5]C[6]C)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[5a,6]O)(O[5,6]C[5,6])(CH3){1|O<2>,3|C<3>,3|H<1>}	C(C[5,6]O[5,6]C[5]C[6])(H)3	O[5,6](C[5,6]C[5a,6]C[5]H)(C[5,6]C[5]C[6]C){1|O<1>,3|C<3>,3|H<1>}	109.4650	0.000	1	109.4650	0.000	1	109.4650	0.000	1	108.4565	0.465	4	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	4:4:2:4:	4:1:1:1:	4:4:	C[3,5]-4:C[5,6]-4:O[5,6]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[3,5]C[3]C[5]O[3])(C[5,6]C[6]O[5]2)(O[5,6]C[5,6])(CH3)	C(C[5,6]C[3,5]C[5,6]O[5,6])(H)3	O[5,6](C[5,6]C[3,5]C[5,6]C)(C[5,6]C[5]C[6]C)	C[5,6](C[3,5]C[3]C[5]O[3])(C[5,6]C[6]O[5]2)(O[5,6]C[5,6])(CH3){4|C<4>,6|H<1>}	C(C[5,6]C[3,5]C[5,6]O[5,6])(H)3	O[5,6](C[5,6]C[3,5]C[5,6]C)(C[5,6]C[5]C[6]C){2|C<4>,3|O<2>,4|H<1>}	108.5960	0.000	1	108.5960	0.000	1	108.5960	0.000	1	108.5960	0.000	1	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5,6]	5:2:4:4:	4:1:1:1:	4:4:	P[3x5,6]-5:O[5,6]-2:C-4:C-4:	C[5,6]-4:F-1:F-1:F-1:	C[5,5,6]-4:C[5,6]-4:	C[5,6](P[3x5,6]O[5,5]O[5,6]O[5]2)(O[5,6]C[5,5,6])(CF3)2	C(C[5,6]P[3x5,6]O[5,6]C)(F)3	O[5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6]P[3x5,6]CC)	C[5,6](P[3x5,6]O[5,5]O[5,6]O[5]2)(O[5,6]C[5,5,6])(CF3)2{1|C<3>,3|C<4>}	C(C[5,6]P[3x5,6]O[5,6]C)(F)3	O[5,6](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6]P[3x5,6]CC){1|H<1>,3|C<3>,3|O<2>}	107.4365	1.886	4	107.4365	3.558	4	107.4365	3.558	4	107.4365	3.558	4	108.9644	2.454	117	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	2:4:2:4:	4:1:1:1:	4:2:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:	C[5,6](O[5,6]C[5,6])(C[6]C[6]CC)(O[5]O[5])(CH3)	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])	C[5,6](O[5,6]C[5,6])(C[6]C[6]CC)(O[5]O[5])(CH3){2|C<4>,2|H<1>}	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6]){1|C<3>,4|C<4>}	106.9540	0.520	3	105.9894	0.921	7	106.7744	1.318	13	106.7744	1.318	13	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	2:4:2:4:	4:1:1:1:	4:2:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:	C[5,6](O[5,6]C[5,6])(C[6]C[6]CC)(O[5]O[5])(CH3)	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])	C[5,6](O[5,6]C[5,6])(C[6]C[6]CC)(O[5]O[5])(CH3){4|C<4>}	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6]){5|C<4>}	105.2660	0.185	4	105.9894	0.921	7	106.7744	1.318	13	106.7744	1.318	13	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	2:4:2:4:	4:1:1:1:	4:2:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(O[5]O[5])(CH3)	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(O[5]O[5])(CH3){2|C<4>,2|H<1>}	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6]){1|C<3>,1|H<1>,3|C<4>}	108.0160	0.000	1	108.0160	0.000	1	106.7744	1.318	13	106.7744	1.318	13	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	2:4:2:4:	4:1:1:1:	4:2:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(CH3)	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6]){2|C<4>,3|H<1>}	107.8040	0.000	1	107.6250	0.204	5	106.7744	1.318	13	106.7744	1.318	13	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	2:4:2:4:	4:1:1:1:	4:2:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(CH3)	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(CH3){2|C<4>,2|H<1>}	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6]){2|H<1>,3|C<4>}	107.5802	0.509	4	107.6250	0.204	5	106.7744	1.318	13	106.7744	1.318	13	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	2:4:2:4:	4:1:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,3x6])(C[6]C[6,6]HH)(O[5]C[5,6])(CH3)	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,3x6]C[6]C)(C[5,6]O[5,6]C[6]C)	C[5,6](O[5,6]C[5,3x6])(C[6]C[6,6]HH)(O[5]C[5,6])(CH3){1|O<2>,2|C<3>,3|C<4>}	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,3x6]C[6]C)(C[5,6]O[5,6]C[6]C){2|C<3>,2|C<4>,4|H<1>}	110.5330	0.000	1	110.5330	0.000	1	109.9566	0.305	7	110.2005	0.331	11	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	2:4:2:4:	4:1:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[6]C[6,6]CH)(O[5]C[5,6])(CH3)	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]O[5,6]C[6]C)	C[5,6](O[5,6]C[5,6,6])(C[6]C[6,6]CH)(O[5]C[5,6])(CH3){1|C<3>,2|O<2>,3|C<4>}	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]O[5,6]C[6]C){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	110.1390	0.000	1	109.7774	0.309	5	109.9566	0.305	7	110.2005	0.331	11	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	2:4:2:4:	4:1:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[6]C[6,6]CH)(O[5]C[5,6])(CH3)	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]O[5,6]C[6]C)	C[5,6](O[5,6]C[5,6,6])(C[6]C[6,6]CH)(O[5]C[5,6])(CH3){1|C<3>,2|O<2>,3|C<4>}	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]O[5,6]C[6]C){1|Cl<1>,1|C<3>,1|H<1>,2|O<2>,3|C<4>}	109.4960	0.000	1	109.7774	0.309	5	109.9566	0.305	7	110.2005	0.331	11	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	2:4:2:4:	4:1:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[6]C[6,6]CH)(O[5]C[5,6])(CH3)	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]O[5,6]C[6]C)	C[5,6](O[5,6]C[5,6,6])(C[6]C[6,6]CH)(O[5]C[5,6])(CH3){2|O<2>,4|C<4>}	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]O[5,6]C[6]C){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	109.7507	0.715	3	109.7774	0.309	5	109.9566	0.305	7	110.2005	0.331	11	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	2:4:2:4:	4:1:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[6]C[6]HH)(O[5]C[5,6])(CH3)	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5,6]O[5,6]C[6]C)	C[5,6](O[5,6]C[5,6,6])(C[6]C[6]HH)(O[5]C[5,6])(CH3){1|C<3>,1|C<4>,4|H<1>}	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5,6]O[5,6]C[6]C){2|C<3>,2|C<4>,3|H<1>}	110.2760	0.000	1	110.2760	0.000	1	109.9566	0.305	7	110.2005	0.331	11	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	2:4:2:4:	4:1:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])(CH3)	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])(CH3){3|C<3>,3|H<1>}	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH){1|C<4>,2|C<3>,2|H<1>}	110.3580	0.000	1	110.3580	0.000	1	110.6275	0.113	4	110.2005	0.331	11	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	2:4:2:4:	4:1:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])(CH3)	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]C[5a]H)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]C[5a]H){1|N<2>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	111.1160	0.000	1	111.1160	0.000	1	110.6275	0.113	4	110.2005	0.331	11	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	2:4:2:4:	4:1:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(CH3)	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HO)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH){1|H<1>,2|C<4>,2|O<2>}	110.4740	0.000	1	110.4740	0.000	1	110.6275	0.113	4	110.2005	0.331	11	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	2:4:2:4:	4:1:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](O[5,6]C[5,6])(C[6]N[6]HH)(O[5]C[5])(CH3)	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)	C[5,6](O[5,6]C[5,6])(C[6]N[6]HH)(O[5]C[5])(CH3){1|C<4>,1|S<4>,3|H<1>}	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH){1|C<4>,1|N<3>,3|H<1>}	110.5620	0.000	1	110.5620	0.000	1	110.6275	0.113	4	110.2005	0.331	11	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	2:4:2:4:	4:2:1:1:	4:2:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C-2:H-1:H-1:	C[5,6]-4:O[5]-2:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(CCHH)	C(C[5,6]O[5,6]C[6]O[5])(CN)(H)2	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(CCHH){1|C<4>,3|H<1>}	C(C[5,6]O[5,6]C[6]O[5])(CN)(H)2	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6]){2|C<4>,3|H<1>}	108.0380	0.000	1	108.0380	0.000	1	108.0380	0.000	1	108.0380	0.000	1	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	2:4:2:4:	4:3:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,5,6])(C[6]C[6]HH)(O[5]C[5,5])(CC[6a]HH)	C(C[5,6]O[5,6]C[6]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5,5]C[5,5,6]N[5]C)(C[5,6]O[5,6]C[6]C)	C[5,6](O[5,6]C[5,5,6])(C[6]C[6]HH)(O[5]C[5,5])(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C(C[5,6]O[5,6]C[6]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5,5]C[5,5,6]N[5]C)(C[5,6]O[5,6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	110.1360	0.115	2	110.1360	0.013	2	110.1360	0.013	2	110.1360	0.013	2	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	2:4:2:4:	4:4:1:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])(CCHH)	C(C[5,6]O[5,6]C[6]O[5])(CHHO)(H)2	O[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]C[5])(CCHH){1|C<4>,2|C<3>,3|H<1>}	C(C[5,6]O[5,6]C[6]O[5])(CHHO)(H)2	O[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH){1|C<3>,2|C<4>,2|H<1>}	110.8460	0.000	1	110.8460	0.000	1	110.8460	0.000	1	110.8460	0.000	1	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	2:4:2:4:	4:4:4:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,5,6,6])(C[6]C[5,3x6]HH)(O[5]C[5,5,6])(CCCH)	C(C[5,6]O[5,6]C[6]O[5])(CH3)2(H)	O[5](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[5,6]O[5,6]C[6]C)	C[5,6](O[5,6]C[5,5,6,6])(C[6]C[5,3x6]HH)(O[5]C[5,5,6])(CCCH){2|O<2>,4|C<4>}	C(C[5,6]O[5,6]C[6]O[5])(CH3)2(H)	O[5](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[5,6]O[5,6]C[6]C){3|H<1>,5|C<4>}	109.4290	0.000	1	109.4290	0.000	1	109.4290	0.000	1	109.6180	1.789	3	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	2:4:2:4:	4:4:4:1:	4:4:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[6]C[3x6]HH)(O[5]C[5,6])(CCCH)	C(C[5,6]O[5,6]C[6]O[5])(CH3)2(H)	O[5](C[5,6]C[5,6,6]C[6]O)(C[5,6]O[5,6]C[6]C)	C[5,6](O[5,6]C[5,6,6])(C[6]C[3x6]HH)(O[5]C[5,6])(CCCH){2|O<2>,4|C<4>}	C(C[5,6]O[5,6]C[6]O[5])(CH3)2(H)	O[5](C[5,6]C[5,6,6]C[6]O)(C[5,6]O[5,6]C[6]C){4|C<4>,4|H<1>}	109.7125	1.877	2	109.7125	3.525	2	109.7125	3.525	2	109.6180	1.789	3	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	3:2:2:4:	4:1:1:1:	4:2:	C[6,6]-3:O[5,6]-2:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:	C[5,6](C[6,6]C[6,6]N[6])(O[5,6]C[5,6])(O[5]O[5])(CH3)	C(C[5,6]C[6,6]O[5,6]O[5])(H)3	O[5](C[5,6]C[6,6]O[5,6]C)(O[5]C[5,6])	C[5,6](C[6,6]C[6,6]N[6])(O[5,6]C[5,6])(O[5]O[5])(CH3){2|C<3>,3|C<4>}	C(C[5,6]C[6,6]O[5,6]O[5])(H)3	O[5](C[5,6]C[6,6]O[5,6]C)(O[5]C[5,6]){1|N<2>,3|C<4>}	107.8340	0.000	1	107.8340	0.000	1	107.8340	0.000	1	107.8340	0.000	1	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	3:3:2:4:	4:4:4:4:	4:4:	C[5,6]-3:C[6]-3:O[5]-2:C-4:	C[5,6]-4:C-4:C-4:C-4:	C[5,6]-4:P[5]-4:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(O[5]P[5])(CC3)	C(C[5,6]C[5,6]C[6]O[5])(CH3)3	O[5](C[5,6]C[5,6]C[6]C)(P[5]N[5]ClO)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(O[5]P[5])(CC3){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>}	C(C[5,6]C[5,6]C[6]O[5])(CH3)3	O[5](C[5,6]C[5,6]C[6]C)(P[5]N[5]ClO){1|H<1>,2|C<3>}	105.8290	0.000	1	105.8290	0.000	1	105.8290	0.000	1	105.8290	0.000	1	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	3:4:2:4:	4:1:1:1:	4:4:	C[5,6]-3:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[4,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[4,5,6]O)(C[6]C[6]HH)(O[5]C[4,5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[4,5]C[4,5,6]C[4]H)(C[5,6]C[5,6]C[6]C)	C[5,6](C[5,6]C[4,5,6]O)(C[6]C[6]HH)(O[5]C[4,5])(CH3){3|C<4>,3|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[4,5]C[4,5,6]C[4]H)(C[5,6]C[5,6]C[6]C){1|O<1>,3|C<4>,4|H<1>}	108.4750	0.000	1	108.4750	0.000	1	108.4750	0.000	1	108.1504	3.574	7	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	3:4:2:4:	4:1:1:1:	4:4:	C[5,6]-3:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(O[5]C[5])(CH3){2|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH){1|O<1>,2|H<1>,3|C<4>}	110.1740	0.000	1	110.1740	0.000	1	110.1740	0.000	1	108.1504	3.574	7	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	3:4:2:4:	4:1:1:1:	4:4:	C[5a,6]-3:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[6a]H)(O[5]C[5])(CH3)	C(C[5,6]C[5a,6]C[5,6]O[5])(H)3	O[5](C[5,6]C[5a,6]C[5,6]C)(C[5]C[5,6]HH)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[6a]H)(O[5]C[5])(CH3){1|C<4>,4|C<3>,4|H<1>}	C(C[5,6]C[5a,6]C[5,6]O[5])(H)3	O[5](C[5,6]C[5a,6]C[5,6]C)(C[5]C[5,6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	107.2540	0.000	1	107.2540	0.000	1	107.2540	0.000	1	108.1504	3.574	7	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	3:4:2:4:	4:1:1:1:	4:4:	C[6,6a]-3:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O[5]C[5])(CH3)	C(C[5,6]C[6,6a]C[5,6]O[5])(H)3	O[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O[5]C[5])(CH3){1|N<3>,3|C<3>,6|H<1>}	C(C[5,6]C[6,6a]C[5,6]O[5])(H)3	O[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	107.1420	0.000	1	107.1420	0.000	1	107.1420	0.000	1	108.1504	3.574	7	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	3:4:2:4:	4:1:1:1:	4:4:	N[5,6]-3:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(CH3)	C(C[5,6]N[5,6]C[6]O[5])(H)3	O[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C(C[5,6]N[5,6]C[6]O[5])(H)3	O[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	111.1420	0.000	1	111.1420	0.000	1	111.1420	0.000	1	108.1504	3.574	7	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	3:4:2:4:	4:1:1:1:	4:4:	N[6,6]-3:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](N[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]N[6,6]O[5])(H)3	O[5](C[5,6]C[5,6]N[6,6]C)(C[5]C[5]HH)	C[5,6](N[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3){2|C<3>,2|C<4>,8|H<1>}	C(C[5,6]C[5,6]N[6,6]O[5])(H)3	O[5](C[5,6]C[5,6]N[6,6]C)(C[5]C[5]HH){1|C<3>,2|H<1>,3|C<4>}	106.4330	0.758	2	106.4330	0.575	2	106.4330	0.575	2	108.1504	3.574	7	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	3:4:2:4:	4:4:4:1:	4:4:	C[5,6]-3:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C-4:C-4:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]HH)(O[5]C[5])(CCCH)	C(C[5,6]C[5,6]C[6]O[5])(CC[6a]HH)(CH3)(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]HH)(O[5]C[5])(CCCH){1|C<3>,5|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(CC[6a]HH)(CH3)(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH){1|C<3>,1|C<4>,2|H<1>}	108.8550	0.000	1	108.8550	0.000	1	108.8550	0.000	1	108.8550	0.000	1	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:2:2:4:	4:1:1:1:	4:2:	C[6]-4:O[5,6]-2:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(O[5]O[5])(CH3)	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(O[5]O[5])(CH3){2|C<3>,2|C<4>}	C(C[5,6]O[5,6]C[6]O[5])(H)3	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6]){1|C<3>,2|C<4>,2|H<1>}	108.3310	0.000	1	108.3310	0.000	1	108.3310	0.000	1	108.3310	0.000	1	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:2:2:4:	4:1:1:1:	4:4:	C[5,5,6]-4:O[5]-2:O[6]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(O[6]C[6])(CH3)	C(C[5,6]C[5,5,6]O[5]O[6])(H)3	O[5](C[5,6]C[5,5,6]O[6]C)(C[5]C[5,5]HO)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(O[5]C[5])(O[6]C[6])(CH3){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C(C[5,6]C[5,5,6]O[5]O[6])(H)3	O[5](C[5,6]C[5,5,6]O[6]C)(C[5]C[5,5]HO){2|H<1>,3|C<4>}	109.2540	0.000	1	109.2540	0.000	1	109.2540	0.000	1	109.6126	0.633	9	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:2:2:4:	4:1:1:1:	4:4:	C[5,5,6]-4:O[6]-2:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5]2)(O[6]C[6,6])(O[5]C[5])(CH3)	C(C[5,6]C[5,5,6]O[5]O[6])(H)3	O[5](C[5,6]C[5,5,6]O[6]C)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,5,6,6]C[5]2)(O[6]C[6,6])(O[5]C[5])(CH3){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C(C[5,6]C[5,5,6]O[5]O[6])(H)3	O[5](C[5,6]C[5,5,6]O[6]C)(C[5]C[5]HH){1|O<1>,3|C<4>}	108.4815	0.757	2	108.4815	0.574	2	108.4815	0.574	2	109.6126	0.633	9	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:2:2:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]CO)(O[5]C[5])(O[6]C[6])(CH3)	C(C[5,6]C[5,6]O[5]O[6])(H)3	O[5](C[5,6]C[5,6]O[6]C)(C[5]C[5,6]CC)	C[5,6](C[5,6]C[5,6]CO)(O[5]C[5])(O[6]C[6])(CH3){2|H<1>,4|C<4>}	C(C[5,6]C[5,6]O[5]O[6])(H)3	O[5](C[5,6]C[5,6]O[6]C)(C[5]C[5,6]CC){1|H<1>,1|O<2>,3|C<4>}	109.9150	0.000	1	109.9150	0.000	1	109.9150	0.000	1	109.6126	0.633	9	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:2:2:4:	4:1:1:1:	4:4:	C[5,6]-4:O[6]-2:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]HH)(O[6]C[6,6a])(O[5]C[5])(CH3)	C(C[5,6]C[5,6]O[5]O[6])(H)3	O[5](C[5,6]C[5,6]O[6]C)(C[5]C[5,6]HH)	C[5,6](C[5,6]C[5,6]HH)(O[6]C[6,6a])(O[5]C[5])(CH3){2|C<3>,3|H<1>}	C(C[5,6]C[5,6]O[5]O[6])(H)3	O[5](C[5,6]C[5,6]O[6]C)(C[5]C[5,6]HH){2|C<3>,3|H<1>}	110.2763	0.072	3	110.2763	0.005	3	110.0762	0.160	5	109.6126	0.633	9	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:2:2:4:	4:1:1:1:	4:4:	C[5,6]-4:O[6]-2:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(CH3)	C(C[5,6]C[5,6]O[5]O[6])(H)3	O[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(CH3){1|C<4>,2|C<3>,5|H<1>}	C(C[5,6]C[5,6]O[5]O[6])(H)3	O[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HH){1|C<3>,2|C<4>,2|H<1>}	109.3710	0.000	1	109.7760	0.328	2	110.0762	0.160	5	109.6126	0.633	9	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:2:2:4:	4:1:1:1:	4:4:	C[5,6]-4:O[6]-2:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(CH3)	C(C[5,6]C[5,6]O[5]O[6])(H)3	O[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(O[5]C[5])(CH3){3|C<3>,5|H<1>}	C(C[5,6]C[5,6]O[5]O[6])(H)3	O[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	110.1810	0.000	1	109.7760	0.328	2	110.0762	0.160	5	109.6126	0.633	9	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:2:2:4:	4:2:1:1:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:C-4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(CHHO)	C(C[5,6]C[5,6]O[5]O[6])(OS)(H)2	O[5](C[5,6]C[5,6]O[6]C)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(CHHO){1|O<2>,3|C<4>,3|H<1>}	C(C[5,6]C[5,6]O[5]O[6])(OS)(H)2	O[5](C[5,6]C[5,6]O[6]C)(C[5]O[5]CC){1|H<1>,2|C<4>}	110.7980	0.525	3	110.7980	0.276	3	110.7980	0.276	3	110.6713	0.248	4	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:2:2:4:	4:2:1:1:	4:4:	C[6]-4:O[5,6]-2:O[5]-2:C-4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(O[5]C[5])(CHHO)	C(C[5,6]O[5,6]C[6]O[5])(OH)(H)2	O[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH)	C[5,6](C[6]C[5,6]HO)(O[5,6]C[5,6])(O[5]C[5])(CHHO){1|C<4>,1|O<2>,4|H<1>}	C(C[5,6]O[5,6]C[6]O[5])(OH)(H)2	O[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]HH){1|O<2>,2|C<4>,2|H<1>}	110.2910	0.000	1	110.2910	0.000	1	110.2910	0.000	1	110.6713	0.248	4	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:2:2:4:	4:3:2:1:	4:4:	C[5,6]-4:O[5]-2:O[6]-2:C-4:	C[5,6]-4:C-3:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(CCHO)	C(C[5,6]C[5,6]O[5]O[6])(CNO)(OC)(H)	O[5](C[5,6]C[5,6]O[6]C)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(O[5]C[5])(O[6]C[6])(CCHO){1|O<2>,3|C<4>,3|H<1>}	C(C[5,6]C[5,6]O[5]O[6])(CNO)(OC)(H)	O[5](C[5,6]C[5,6]O[6]C)(C[5]O[5]CC){1|H<1>,2|C<4>}	112.0000	0.000	1	112.0000	0.000	1	112.0000	0.000	1	112.0000	0.000	1	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:2:3:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5]-2:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]N[5,5]C[6]H)(O[5]C[5,5])(C[6]C[6]H)(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6]C[5,6]C[6]C)	C[5,6](C[5,6]N[5,5]C[6]H)(O[5]C[5,5])(C[6]C[6]H)(CH3){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6]C[5,6]C[6]C){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	106.6790	0.000	1	106.6790	0.000	1	106.6790	0.000	1	108.0080	3.532	2	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:2:3:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5]-2:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(C[6]C[6]H)(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]O[6]H)	C[5,6](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]O[6]H){1|C<3>,3|C<4>,3|H<1>}	109.3370	0.000	1	109.3370	0.000	1	109.3370	0.000	1	108.0080	3.532	2	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:2:3:4:	4:4:4:4:	4:4:	C[5,6]-4:O[5]-2:C[6]-3:C-4:	C[5,6]-4:C-4:C-4:C-4:	C[5,3x6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,3x6]C[6]H)(O[5]C[5,3x6])(C[6]C[6]H)(CC3)	C(C[5,6]C[5,6]C[6]O[5])(CH3)3	O[5](C[5,3x6]C[5,3x6]C[6,6]2)(C[5,6]C[5,6]C[6]C)	C[5,6](C[5,6]C[5,3x6]C[6]H)(O[5]C[5,3x6])(C[6]C[6]H)(CC3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C(C[5,6]C[5,6]C[6]O[5])(CH3)3	O[5](C[5,3x6]C[5,3x6]C[6,6]2)(C[5,6]C[5,6]C[6]C){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	105.5490	0.000	1	105.5490	0.000	1	105.5490	0.000	1	105.5490	0.000	1	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:3:2:4:	4:1:1:1:	4:3:	C[5,5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[6]C[6]H)(O[5]N[5])(CH3)	C(C[5,6]C[5,5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,5,6]C[6]C)(N[5]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[6]C[6]H)(O[5]N[5])(CH3){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C(C[5,6]C[5,5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,5,6]C[6]C)(N[5]C[5,6]C){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	107.6560	0.000	1	107.6560	0.000	1	107.6560	0.000	1	107.6560	0.000	1	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:3:2:4:	4:1:1:1:	4:4:	C[5,5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5,6]C)(C[6]C[6]H)(O[5]C[5])(CH3)	C(C[5,6]C[5,5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[3x5,6]HH)	C[5,6](C[5,5,6]C[3x5,6]C[5,6]C)(C[6]C[6]H)(O[5]C[5])(CH3){1|O<1>,3|C<4>,3|H<1>}	C(C[5,6]C[5,5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[3x5,6]HH){1|H<1>,2|C<3>,3|C<4>}	107.7430	0.000	1	107.7430	0.000	1	107.4310	0.195	2	107.6274	2.731	24	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:3:2:4:	4:1:1:1:	4:4:	C[5,5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C(C[5,6]C[5,5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5,6]HH)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C(C[5,6]C[5,5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5,6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	107.1190	0.000	1	107.1190	0.000	1	107.4310	0.195	2	107.6274	2.731	24	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:3:2:4:	4:1:1:1:	4:4:	C[5,6]-4:C[5,6]-3:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(O[5]C[5,6])(CH3)	C(C[5,6]C[5,6]2O[5])(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(O[5]C[5,6])(CH3){1|O<2>,3|H<1>,7|C<4>}	C(C[5,6]C[5,6]2O[5])(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]2C){2|C<3>,3|H<1>,4|C<4>}	111.0240	0.447	2	111.0240	0.200	2	111.0240	0.200	2	107.6274	2.731	24	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:3:2:4:	4:1:1:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]H)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]H)(O[5]C[5])(CH3){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	102.1170	0.000	1	102.1170	0.000	1	107.3073	1.958	20	107.6274	2.731	24	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:3:2:4:	4:1:1:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){2|C<3>,2|C<4>,3|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC){1|C<4>,2|C<3>,2|H<1>}	107.5190	0.000	1	107.5190	0.000	1	107.3073	1.958	20	107.6274	2.731	24	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:3:2:4:	4:1:1:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|Br<1>,2|C<3>,4|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	107.2080	0.315	2	107.5250	0.653	14	107.3073	1.958	20	107.6274	2.731	24	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:3:2:4:	4:1:1:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|C<3>,2|C<4>,5|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH){1|C<3>,2|H<1>,3|C<4>}	109.5290	0.000	1	107.5250	0.653	14	107.3073	1.958	20	107.6274	2.731	24	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:3:2:4:	4:1:1:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|Cl<1>,2|C<3>,4|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	107.0186	0.320	5	107.5250	0.653	14	107.3073	1.958	20	107.6274	2.731	24	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:3:2:4:	4:1:1:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){2|C<3>,4|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH){2|H<1>,3|C<3>}	107.6490	0.000	1	107.5250	0.653	14	107.3073	1.958	20	107.6274	2.731	24	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:3:2:4:	4:1:1:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){2|C<3>,5|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	107.8547	0.807	4	107.5250	0.653	14	107.3073	1.958	20	107.6274	2.731	24	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:3:2:4:	4:1:1:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){2|C<4>,6|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH){1|C<3>,2|C<4>,3|H<1>}	107.2440	0.000	1	107.5250	0.653	14	107.3073	1.958	20	107.6274	2.731	24	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:3:2:4:	4:1:1:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]C[5]H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|C<4>,2|C<3>,5|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]C[5]H){2|C<4>,3|C<3>,3|H<1>}	107.6175	0.036	2	107.6175	0.001	2	107.3073	1.958	20	107.6274	2.731	24	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:3:2:4:	4:1:1:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]O[5]C)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|C<4>,2|C<3>,3|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]O[5]C){1|C<4>,2|H<1>,3|C<3>}	107.8740	0.000	1	107.8740	0.000	1	107.3073	1.958	20	107.6274	2.731	24	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:3:2:4:	4:1:1:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]O[5]H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(CH3){2|C<3>,4|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]O[5]H){1|C<4>,2|H<1>,3|C<3>}	108.0520	0.000	1	108.0520	0.000	1	107.3073	1.958	20	107.6274	2.731	24	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:3:2:4:	4:2:1:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]C)(O[5]C[5])(CHHO)	C(C[5,6]C[5,6]C[6]O[5])(OSi)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]C)(O[5]C[5])(CHHO){2|H<1>,4|C<4>}	C(C[5,6]C[5,6]C[6]O[5])(OSi)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){1|C<4>,1|H<1>,2|C<3>}	108.0700	0.000	1	108.0700	0.000	1	107.6488	0.563	5	107.6488	0.563	5	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:3:2:4:	4:2:1:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]O)(O[5]C[5])(CHHO)	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]O)(O[5]C[5])(CHHO){1|H<1>,1|O<2>,3|C<4>}	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){1|C<4>,1|H<1>,1|N<2>,1|O<1>}	106.9860	0.000	1	107.5435	0.677	4	107.6488	0.563	5	107.6488	0.563	5	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:3:2:4:	4:2:1:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]O)(O[5]C[5])(CHHO)	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]O)(O[5]C[5])(CHHO){1|O<2>,2|H<1>,3|C<4>}	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	107.7293	0.899	3	107.5435	0.677	4	107.6488	0.563	5	107.6488	0.563	5	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:3:2:4:	4:3:1:1:	4:4:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6,6]O)(O[5]C[5])(CCHH)	C(C[5,6]C[5,6]C[6]O[5])(CCH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6,6]O)(O[5]C[5])(CCHH){1|O<2>,2|H<1>,4|C<4>}	C(C[5,6]C[5,6]C[6]O[5])(CCH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){1|H<1>,1|O<1>,2|C<4>}	110.6930	0.000	1	110.6930	0.000	1	110.6930	0.000	1	110.1690	0.549	2	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:3:2:4:	4:3:1:1:	4:4:	C[5,6]-4:O[6]-3:O[5]-2:C-4:	C[5,6]-4:O-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(O[6]C[6]Pt)(O[5]C[5])(CHHO)	C(C[5,6]C[5,6]O[5]O[6])(OPtH)(H)2	O[5](C[5,6]C[5,6]O[6]C)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(O[6]C[6]Pt)(O[5]C[5])(CHHO){1|O<2>,3|C<4>,3|H<1>}	C(C[5,6]C[5,6]O[5]O[6])(OPtH)(H)2	O[5](C[5,6]C[5,6]O[6]C)(C[5]O[5]CC){1|Pt<6>,1|H<1>,2|C<4>}	109.6450	0.000	1	109.6450	0.000	1	109.6450	0.000	1	110.1690	0.549	2	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:2:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:	C[5,6](C[5,6]C[5,6,6]ClH)(C[6]C[6]HH)(O[5]O[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6,6])	C[5,6](C[5,6]C[5,6,6]ClH)(C[6]C[6]HH)(O[5]O[5])(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6,6]){1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	106.5315	0.074	2	106.5315	0.006	2	106.5315	0.006	2	106.5315	0.006	2	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6]HH)(O[5]N[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(N[5]C[5,6]C)	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6]HH)(O[5]N[5])(CH3){1|C<3>,3|C<4>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(N[5]C[5,6]C){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	108.3030	0.000	1	108.3030	0.000	1	108.9007	0.302	3	108.9007	0.302	3	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]N[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]C)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]N[5])(CH3){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]C){1|C<3>,2|C<4>,4|H<1>}	109.1995	0.260	2	109.1995	0.067	2	108.9007	0.302	3	108.9007	0.302	3	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,3x6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,3x6]C[6,6a]C[3x6]O[5,6])(C[6]C[6]HH)(O[5]C[5,6])(CH3)	C(C[5,6]C[5,3x6]C[6]O[5])(H)3	O[5](C[5,6]C[5,3x6]C[6]C)(C[5,6]O[5,6]C[6]C)	C[5,6](C[5,3x6]C[6,6a]C[3x6]O[5,6])(C[6]C[6]HH)(O[5]C[5,6])(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C(C[5,6]C[5,3x6]C[6]O[5])(H)3	O[5](C[5,6]C[5,3x6]C[6]C)(C[5,6]O[5,6]C[6]C){2|C<3>,2|C<4>,4|H<1>}	107.5870	0.000	1	107.5870	0.000	1	107.5870	0.000	1	108.2170	2.222	37	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,5,6]-4:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,6]C[5]2C[6])(O[5]C[5,5])(CH3)	C(C[5,6]C[5,5,6]C[5,6]O[5])(H)3	O[5](C[5,5]C[3x5,6]C[3,5]H)(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[3x5,6]C[5]H)(C[5,6]C[5]2C[6])(O[5]C[5,5])(CH3){2|C<3>,5|C<4>,7|H<1>}	C(C[5,6]C[5,5,6]C[5,6]O[5])(H)3	O[5](C[5,5]C[3x5,6]C[3,5]H)(C[5,6]C[5,5,6]C[5,6]C){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	106.8730	0.000	1	106.8730	0.000	1	106.8730	0.000	1	108.2170	2.222	37	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,6,6]-4:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6,6]C[5,3x6]C[5,6]O[5])(C[5,6]C[5,6]O[5]H)(O[5]C[5])(CH3)	C(C[5,6]C[5,6,6]C[5,6]O[5])(H)3	O[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]O[5]CC)	C[5,6](C[5,6,6]C[5,3x6]C[5,6]O[5])(C[5,6]C[5,6]O[5]H)(O[5]C[5])(CH3){1|C<3>,2|H<1>,2|O<2>,6|C<4>}	C(C[5,6]C[5,6,6]C[5,6]O[5])(H)3	O[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<4>}	107.9660	0.079	2	107.9660	0.006	2	107.9660	0.006	2	108.2170	2.222	37	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]2H)(C[6]C[5,6]CH)(O[5]C[5,6])(CH3)	C(C[5,6]C[5,6,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]C[5,6,6]C[6]O)	C[5,6](C[5,6,6]C[5,6,6]2H)(C[6]C[5,6]CH)(O[5]C[5,6])(CH3){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	C(C[5,6]C[5,6,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]C[5,6,6]C[6]O){5|C<4>,5|H<1>}	106.5693	0.103	4	106.5693	0.011	4	106.6546	0.044	5	108.2170	2.222	37	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5,6])(CH3)	C(C[5,6]C[5,6,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]C[5,6]2C)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]C[5,6])(CH3){1|O<2>,3|C<4>,5|H<1>}	C(C[5,6]C[5,6,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]C[5,6]2C){1|O<2>,4|C<4>,5|H<1>}	106.9960	0.000	1	106.9960	0.000	1	106.6546	0.044	5	108.2170	2.222	37	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:O-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]CH)(O[5]C[5,6])(CHHO)	C(C[5,6]C[5,6,6]C[6]O[5])(H)2(O)	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]O[5,6]C[6]C)	C[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]CH)(O[5]C[5,6])(CHHO){3|C<4>}	C(C[5,6]C[5,6,6]C[6]O[5])(H)2(O)	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]O[5,6]C[6]C){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	107.4900	0.000	1	107.4900	0.000	1	107.4900	0.000	1	108.2170	2.222	37	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,6]-4:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6,6]HO)(O[5]C[5,6])(CH3)	C(C[5,6]C[5,6]2O[5])(H)3	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]C[5,6]2C)	C[5,6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6,6]HO)(O[5]C[5,6])(CH3){3|H<1>,6|C<4>}	C(C[5,6]C[5,6]2O[5])(H)3	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]C[5,6]2C){1|O<2>,4|C<4>,5|H<1>}	108.1420	0.000	1	108.1420	0.000	1	108.1420	0.000	1	108.2170	2.222	37	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:Cl-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(O[5]C[5,5])(CClHH)	C(C[5,6]C[5,6]C[6]O[5])(Cl)(H)2	O[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]C)	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(O[5]C[5,5])(CClHH){1|N<3>,2|C<4>,3|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(Cl)(H)2	O[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]C[6]C){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	108.3830	0.000	1	108.3830	0.000	1	108.3830	0.000	1	108.2170	2.222	37	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HO)(O[5]C[5,5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,5]C[5,6]C[5]N[5])(C[5,6]C[5,6]C[6]C)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HO)(O[5]C[5,5])(CH3){1|H<1>,1|N<2>,3|C<3>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,5]C[5,6]C[5]N[5])(C[5,6]C[5,6]C[6]C){1|O<2>,4|C<3>,5|H<1>}	108.1660	0.000	1	108.1660	0.000	1	108.3475	0.066	2	108.2170	2.222	37	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HO)(O[5]C[5,5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,5]C[5,6]C[5]O[5])(C[5,6]C[5,6]C[6]C)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HO)(O[5]C[5,5])(CH3){1|H<1>,1|O<2>,3|C<3>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,5]C[5,6]C[5]O[5])(C[5,6]C[5,6]C[6]C){1|O<2>,4|C<3>,5|H<1>}	108.5290	0.000	1	108.5290	0.000	1	108.3475	0.066	2	108.2170	2.222	37	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,5]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]C[5,5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2O[5])	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]C[5,5])(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2O[5]){2|C<3>,3|C<4>,5|H<1>}	106.9990	0.000	1	106.9990	0.000	1	106.9990	0.000	1	108.2170	2.222	37	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]CO)(C[6]C[6]HH)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)	C[5,6](C[5,6]C[5,6]CO)(C[6]C[6]HH)(O[5]C[5])(CH3){2|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH){1|O<2>,2|H<1>,4|C<4>}	108.5090	0.000	1	108.5090	0.000	1	109.1183	2.798	17	108.2170	2.222	37	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]HH)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]HH)(O[5]C[5])(CH3){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC){1|O<1>,2|H<1>,3|C<4>}	110.3060	0.000	1	110.3060	0.000	1	109.1183	2.798	17	108.2170	2.222	37	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]BrH)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]BrH)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	107.3400	0.000	1	107.3400	0.000	1	109.1183	2.798	17	108.2170	2.222	37	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])(CH3){2|C<4>,7|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH){3|C<4>,4|H<1>}	106.7620	0.000	1	106.7620	0.000	1	109.1183	2.798	17	108.2170	2.222	37	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5a,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5,6](C[5,6]C[5a,6]O[5]H)(C[6]C[6]HO)(O[5]C[5])(CH3){2|C<3>,2|C<4>,2|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	110.4660	0.000	2	110.4660	0.000	2	109.1183	2.798	17	108.2170	2.222	37	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3){1|O<2>,3|C<4>,5|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO){2|C<4>,5|H<1>}	105.7180	0.000	1	105.7180	0.000	1	109.1183	2.798	17	108.2170	2.222	37	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[3,6]HH)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]C[5]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[3,6]HH)(O[5]C[5])(CH3){1|C<3>,3|C<4>,3|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]C[5]O[5]){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	108.1325	1.025	2	108.1325	1.050	2	109.1183	2.798	17	108.2170	2.222	37	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]HH)(O[5]C[5])(CH3){2|C<3>,2|C<4>,2|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){1|C<3>,1|C<4>,3|H<1>}	110.0740	0.178	2	110.0740	0.032	2	109.1183	2.798	17	108.2170	2.222	37	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CO)(O[5]C[5])(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	111.3840	0.000	1	111.3840	0.000	1	109.1183	2.798	17	108.2170	2.222	37	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]C[5])(CH3){1|O<2>,3|C<4>,3|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){2|C<4>,3|H<1>}	107.2810	0.000	1	107.2810	0.000	1	109.1183	2.798	17	108.2170	2.222	37	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]CH)(O[5]C[5])(CH3){1|H<1>,1|O<2>,4|C<4>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){1|C<2>,1|C<4>,1|N<3>,2|H<1>}	109.1110	0.000	1	109.1110	0.000	1	109.1183	2.798	17	108.2170	2.222	37	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(CH3){1|C<3>,1|N<2>,3|C<4>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	111.0150	0.000	1	110.4183	0.323	3	109.1183	2.798	17	108.2170	2.222	37	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(CH3){1|C<3>,1|O<2>,3|C<4>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	110.3560	0.000	1	110.4183	0.323	3	109.1183	2.798	17	108.2170	2.222	37	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]HH)(O[5]C[5])(CH3){1|H<1>,4|C<4>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	109.8840	0.000	1	110.4183	0.323	3	109.1183	2.798	17	108.2170	2.222	37	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:P[5]-4:	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(O[5]P[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(P[5]C[6a]S[5]S)	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(O[5]P[5])(CH3){1|C<3>,1|C<4>,1|S<1>,4|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(P[5]C[6a]S[5]S){2|C<3>,2|C<4>,3|H<1>}	106.9650	0.000	1	106.9650	0.000	1	107.1625	0.078	2	108.2170	2.222	37	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:P[5]-4:	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(O[5]P[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(P[5]S[5]SS)	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(O[5]P[5])(CH3){1|C<4>,1|S<1>,1|S<2>,4|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6]C)(P[5]S[5]SS){2|C<4>,3|H<1>}	107.3600	0.000	1	107.3600	0.000	1	107.1625	0.078	2	108.2170	2.222	37	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:I-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHI)	C(C[5,6]C[5,6]C[6]O[5])(H)2(I)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHI){1|C<3>,1|C<4>,2|C<2>,2|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)2(I)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC){1|C<3>,2|C<4>,4|H<1>}	107.9000	0.000	1	108.2585	0.257	2	108.2585	0.257	2	108.2170	2.222	37	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:I-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHI)	C(C[5,6]C[5,6]C[6]O[5])(H)2(I)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHI){2|C<3>,2|C<4>,2|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)2(I)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC){1|C<3>,2|C<4>,4|H<1>}	108.6170	0.000	1	108.2585	0.257	2	108.2585	0.257	2	108.2170	2.222	37	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[6,6]-4:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6,6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(O[5]C[5])(CH3){1|O<1>,3|C<4>,3|O<2>,4|H<1>}	C(C[5,6]C[5,6]C[6,6]O[5])(H)3	O[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HO){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	106.8010	0.000	1	106.8010	0.000	1	106.8010	0.000	1	108.2170	2.222	37	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:2:1:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]CH)(O[5]C[5,6])(CHHO)	C(C[5,6]C[5,6,6]C[6]O[5])(OH)(H)2	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]O[5,6]C[6]C)	C[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]CH)(O[5]C[5,6])(CHHO){3|C<4>}	C(C[5,6]C[5,6,6]C[6]O[5])(OH)(H)2	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]O[5,6]C[6]C){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	104.0500	0.000	1	104.0500	0.000	1	104.0500	0.000	1	107.8829	1.532	36	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:2:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:O-2:H-1:H-1:	C[5,5]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(O[5]C[5,5])(CHHO)	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	O[5](C[5,5]C[5,5,6]C[5]C)(C[5,6]C[5,6]C[6]C)	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(O[5]C[5,5])(CHHO){1|C<3>,2|H<1>,3|C<4>}	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	O[5](C[5,5]C[5,5,6]C[5]C)(C[5,6]C[5,6]C[6]C){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	106.5460	0.000	1	106.5460	0.000	1	106.5460	0.000	1	107.8829	1.532	36	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:2:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5,6])(CHHO)	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	O[5](C[5,6]C[5,6]C[6]2)(C[5,6]C[5,6]C[6]C)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5,6])(CHHO){1|C<3>,2|H<1>,3|C<4>}	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	O[5](C[5,6]C[5,6]C[6]2)(C[5,6]C[5,6]C[6]C){1|C<3>,4|C<4>,8|H<1>}	106.3750	1.155	2	107.0190	1.912	3	107.0190	1.912	3	107.8829	1.532	36	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:2:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5,6])(CHHO)	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	O[5](C[5,6]C[5,6]C[6]2)(C[5,6]C[5,6]C[6]C)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5,6])(CHHO){1|C<3>,2|H<1>,3|C<4>}	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	O[5](C[5,6]C[5,6]C[6]2)(C[5,6]C[5,6]C[6]C){1|C<3>,6|C<4>,6|H<1>}	108.3070	0.000	1	107.0190	1.912	3	107.0190	1.912	3	107.8829	1.532	36	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:2:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO)	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO){1|C<3>,1|C<4>,2|C<2>,2|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC){1|C<3>,2|C<4>,4|H<1>}	108.1050	0.000	1	108.2291	0.482	18	108.1333	0.972	31	107.8829	1.532	36	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:2:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO)	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO){1|C<3>,2|H<1>,3|C<4>}	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC){1|C<3>,2|C<4>,4|H<1>}	108.2439	0.738	16	108.2291	0.482	18	108.1333	0.972	31	107.8829	1.532	36	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:2:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO)	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO){1|C<4>,2|H<1>,3|C<3>}	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC){1|C<3>,2|C<4>,4|H<1>}	108.1170	0.000	1	108.2291	0.482	18	108.1333	0.972	31	107.8829	1.532	36	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:2:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO)	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[3]2)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO){1|C<3>,2|H<1>,3|C<4>}	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[3]2){1|C<3>,6|C<4>,6|H<1>}	106.3460	0.614	2	106.3460	0.377	2	108.1333	0.972	31	107.8829	1.532	36	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:2:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO)	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[4]2)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(CHHO){1|C<3>,2|H<1>,3|C<4>}	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[4]2){1|C<3>,6|C<4>,6|H<1>}	106.5980	0.000	1	106.5980	0.000	1	108.1333	0.972	31	107.8829	1.532	36	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:2:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]HO)(C[6]N[6]HH)(O[5]C[5])(CHHO)	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]N[6a]H)	C[5,6](C[5,6]C[5,6]HO)(C[6]N[6]HH)(O[5]C[5])(CHHO){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]N[6a]H){1|N<3>,2|C<3>,2|O<2>,4|H<1>}	108.2650	0.000	2	108.2650	0.000	2	108.1333	0.972	31	107.8829	1.532	36	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:2:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]HO)(C[6]S[6]HH)(O[5]C[5])(CHHO)	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]N[6a]H)	C[5,6](C[5,6]C[5,6]HO)(C[6]S[6]HH)(O[5]C[5])(CHHO){1|N<3>,1|S<2>,2|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]N[6a]H){1|O<2>,2|C<3>,2|S<2>,4|H<1>}	107.3610	0.000	1	108.1205	1.154	2	108.1333	0.972	31	107.8829	1.532	36	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:2:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]HO)(C[6]S[6]HH)(O[5]C[5])(CHHO)	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]N[6a]H)	C[5,6](C[5,6]C[5,6]HO)(C[6]S[6]HH)(O[5]C[5])(CHHO){2|H<1>,2|N<3>,2|O<1>}	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]N[6a]H){1|N<3>,1|O<2>,1|S<4>,2|C<3>,4|H<1>}	108.8800	0.000	1	108.1205	1.154	2	108.1333	0.972	31	107.8829	1.532	36	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:2:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]O[6]HH)(O[5]C[5])(CHHO)	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]N[6]H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]O[6]HH)(O[5]C[5])(CHHO){1|C<4>,1|N<3>,5|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]N[6]H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	108.6820	0.000	1	108.6820	0.000	1	108.1333	0.972	31	107.8829	1.532	36	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:2:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]O[6]HH)(O[5]C[5])(CHHO)	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]N[6a]C[5]H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]O[6]HH)(O[5]C[5])(CHHO){1|C<4>,1|N<3>,5|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]N[6a]C[5]H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	108.2570	1.021	3	108.2570	1.042	3	108.1333	0.972	31	107.8829	1.532	36	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:2:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6,6]HO)(O[5]C[5])(CHHO)	C(C[5,6]C[5,6]C[6]O[5])(OC)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6,6]HO)(O[5]C[5])(CHHO){1|H<1>,1|O<1>,4|C<4>}	C(C[5,6]C[5,6]C[6]O[5])(OC)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	110.9140	0.000	1	110.9140	0.000	1	108.1333	0.972	31	107.8829	1.532	36	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:2:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(O[5]C[5])(CHHO)	C(C[5,6]C[5,6]C[6]O[5])(OS)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]CH)(O[5]C[5])(CHHO){1|O<2>,2|H<1>,4|C<4>}	C(C[5,6]C[5,6]C[6]O[5])(OS)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	107.5790	0.000	1	107.5790	0.000	1	108.1333	0.972	31	107.8829	1.532	36	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:3:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(O[5]C[5])(CCHH)	C(C[5,6]C[5,6]C[6]O[5])(CCO)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CO)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(O[5]C[5])(CCHH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(CCO)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	109.1595	0.684	2	109.1595	0.468	2	109.1595	0.468	2	108.8450	0.531	3	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:3:1:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HH)(O[5]C[5])(CC[6]HH)	C(C[5,6]C[5,6]C[6]O[5])(C[6]C[6]2)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HH)(O[5]C[5])(CC[6]HH){2|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(C[6]C[6]2)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH){1|C<3>,3|C<4>,3|H<1>}	108.2160	0.000	1	108.2160	0.000	1	108.2160	0.000	1	108.8450	0.531	3	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:4:1:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6]HO)(O[5]C[5,6])(CCHH)	C(C[5,6]C[5,6,6]C[6]O[5])(CCHH)(H)2	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]C[5,6,6]C[6]H)	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6]HO)(O[5]C[5,6])(CCHH){2|O<2>,3|C<4>,4|H<1>}	C(C[5,6]C[5,6,6]C[6]O[5])(CCHH)(H)2	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]C[5,6,6]C[6]H){2|O<2>,4|C<4>,4|H<1>}	108.1620	0.000	1	108.1620	0.000	1	108.1620	0.000	1	108.1620	0.000	1	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:4:2:1:	4:4:	C[5,6,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C-4:O-2:H-1:	C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]CH)(O[5]C[5,6])(CCHO)	C(C[5,6]C[5,6,6]C[6]O[5])(CH3)(OH)(H)	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]O[5,6]C[6]C)	C[5,6](C[5,6,6]O[5,6]O[6,6]C)(C[6]O[6]CH)(O[5]C[5,6])(CCHO){3|C<4>}	C(C[5,6]C[5,6,6]C[6]O[5])(CH3)(OH)(H)	O[5](C[5,6]C[5,6,6]C[6]C)(C[5,6]O[5,6]C[6]C){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	103.6390	0.000	1	103.6390	0.000	1	103.6390	0.000	1	105.0335	2.494	4	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]HH)(O[5]C[5])(CCHO)	C(C[5,6]C[5,6]C[6]O[5])(CH3)(OH)(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]HH)(O[5]C[5])(CCHO){1|O<1>,2|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(CH3)(OH)(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	107.2840	0.000	1	105.4983	2.445	3	105.4983	2.445	3	105.0335	2.494	4	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:4:2:1:	4:4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]HH)(O[5]C[5])(CCHO)	C(C[5,6]C[5,6]C[6]O[5])(CH3)(OH)(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]HH)(O[5]C[5])(CCHO){2|C<4>,2|O<1>,4|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(CH3)(OH)(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH){1|C<4>,1|N<4>,1|O<1>,3|H<1>}	104.6055	0.327	2	105.4983	2.445	3	105.4983	2.445	3	105.0335	2.494	4	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5,6]	C	O[5]	4:4:2:4:	4:4:4:2:	4:4:	C[5,6]-4:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:C-4:C-4:O-2:	C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(CCCO)	C(C[5,6]C[5,6]2O[5])(CH3)2(OH)	O[5](C[5,6]C[5,6]2C)(C[5]O[5]CC)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[6]O[5]H)(O[5]C[5])(CCCO){1|C<3>,2|H<1>,5|C<4>}	C(C[5,6]C[5,6]2O[5])(CH3)2(OH)	O[5](C[5,6]C[5,6]2C)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	107.3110	0.000	1	107.3110	0.000	1	107.3110	0.000	1	107.3110	0.000	1	108.1908	2.787	178	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:2:4:	4:1:1:1:	4:4:	N[5]-2:O[5]-2:O-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](N[5]C[5])(O[5]C[5])(OC[6a])(CH3)	C(C[5]N[5]O[5]O)(H)3	O[5](C[5]C[5]HO)(C[5]N[5]CO)	C[5](N[5]C[5])(O[5]C[5])(OC[6a])(CH3){1|C<3>,1|H<1>,1|O<2>}	C(C[5]N[5]O[5]O)(H)3	O[5](C[5]C[5]HO)(C[5]N[5]CO){1|C<3>}	109.4680	0.000	1	109.4680	0.000	1	109.4680	0.000	1	109.4680	0.000	1	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:2:4:	4:4:1:1:	4:4:	N[5]-2:O[5]-2:O-2:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](N[5]C[5])(O[5]C[5])(OC[6a])(CCHH)	C(C[5]N[5]O[5]O)(CH3)(H)2	O[5](C[5]C[5]HO)(C[5]N[5]CO)	C[5](N[5]C[5])(O[5]C[5])(OC[6a])(CCHH){1|C<3>,1|H<1>,1|O<2>}	C(C[5]N[5]O[5]O)(CH3)(H)2	O[5](C[5]C[5]HO)(C[5]N[5]CO){1|C<3>}	111.1235	1.808	2	111.1235	3.269	2	111.1235	3.269	2	111.1235	3.269	2	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:1:	3:4:1:1:	4:4:	O[5]-2:O[5]-2:C-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CN[5]HH)(H)	C(N[5]C[5,6a]C[5])(C[5]O[5]2H)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CH)	C[5](O[5]C[5])2(CN[5]HH)(H){4|H<1>}	C(N[5]C[5,6a]C[5])(C[5]O[5]2H)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CH){2|H<1>}	110.1265	0.009	2	110.1265	0.000	2	110.1265	0.000	2	110.1265	0.000	2	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:1:	4:1:1:1:	4:2:	O[5]-2:O[5]-2:C-4:Cl-1:	C[5]-4:Cl-1:H-1:H-1:	C[5]-4:O[5]-2:	C[5](O[5]C[5])(O[5]O[5])(CClHH)(Cl)	C(C[5]O[5]2Cl)(Cl)(H)2	O[5](C[5]O[5]ClC)(O[5]C[5])	C[5](O[5]C[5])(O[5]O[5])(CClHH)(Cl){1|Cl<1>,1|C<4>}	C(C[5]O[5]2Cl)(Cl)(H)2	O[5](C[5]O[5]ClC)(O[5]C[5]){1|Cl<1>,1|C<4>}	110.4370	0.356	2	110.4370	0.127	2	110.4370	0.127	2	110.4370	0.127	2	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:1:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:Cl-1:	C[5]-4:Cl-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])(O[5]O[5])(CClHH)(Cl)	C(C[5]O[5]2Cl)(Cl)(H)2	O[5](C[5]O[5]ClC)2	C[5](O[5]C[5])(O[5]O[5])(CClHH)(Cl){1|Cl<1>,1|C<4>}	C(C[5]O[5]2Cl)(Cl)(H)2	O[5](C[5]O[5]ClC)2	114.1155	0.049	2	114.1155	0.002	2	114.1155	0.002	2	110.7664	3.608	11	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:1:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:Cl-1:Cl-1:Cl-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CCl3)(H)	C(C[5]O[5]2H)(Cl)3	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CH)	C[5](O[5]C[5,5])2(CCl3)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]O[5]2H)(Cl)3	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CH){1|C<4>,2|H<1>,2|O<2>}	110.2005	0.105	2	110.2005	0.011	2	109.8227	0.300	6	110.7664	3.608	11	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:1:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:Cl-1:Cl-1:Cl-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CCl3)(H)	C(C[5]O[5]2H)(Cl)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CH)	C[5](O[5]C[5,5])2(CCl3)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]O[5]2H)(Cl)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CH){1|C<4>,2|H<1>,2|O<2>}	110.4790	0.000	1	110.4790	0.000	1	109.8227	0.300	6	110.7664	3.608	11	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:1:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:Cl-1:Cl-1:Cl-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CCl3)(H)	C(C[5]O[5]2H)(Cl)3	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH)	C[5](O[5]C[5,5])2(CCl3)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]O[5]2H)(Cl)3	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CH){1|H<1>,2|C<4>}	109.3520	0.232	3	109.3520	0.054	3	109.8227	0.300	6	110.7664	3.608	11	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:1:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)(H)	C(C[5]O[5]2H)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CH)	C[5](O[5]C[5,6])2(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]O[5]2H)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CH){1|C<4>,2|H<1>,2|O<2>}	108.6870	0.000	1	108.6870	0.000	1	110.4785	6.419	2	110.7664	3.608	11	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:1:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)(H)	C(C[5]O[5]2H)(H)3	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH)	C[5](O[5]C[5,6])2(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]O[5]2H)(H)3	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CH){1|H<1>,2|C<4>}	112.2700	0.000	1	112.2700	0.000	1	110.4785	6.419	2	110.7664	3.608	11	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:1:	4:1:1:1:	4:4:	O[5]-2:S[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:O-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])(S[5]C[5])(CHHO)(H)	C(C[5]O[5]S[5]H)(H)2(O)	O[5](C[5]C[5]N[6]H)(C[5]S[5]CH)	C[5](O[5]C[5])(S[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C(C[5]O[5]S[5]H)(H)2(O)	O[5](C[5]C[5]N[6]H)(C[5]S[5]CH){2|C<3>,2|H<1>}	110.3060	0.000	1	110.3060	0.000	1	110.3060	0.000	1	110.7664	3.608	11	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:1:	4:2:1:1:	4:4:	O[5]-2:S[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])(S[5]C[5])(CHHO)(H)	C(C[5]O[5]S[5]H)(OH)(H)2	O[5](C[5]C[5]N[6]H)(C[5]S[5]CH)	C[5](O[5]C[5])(S[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C(C[5]O[5]S[5]H)(OH)(H)2	O[5](C[5]C[5]N[6]H)(C[5]S[5]CH){2|C<3>,2|H<1>}	109.5826	1.066	24	109.5826	1.137	24	109.6949	0.967	37	109.6949	0.967	37	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:1:	4:2:1:1:	4:4:	O[5]-2:S[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])(S[5]C[5])(CHHO)(H)	C(C[5]O[5]S[5]H)(OH)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]S[5]CH)	C[5](O[5]C[5])(S[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C(C[5]O[5]S[5]H)(OH)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]S[5]CH){2|C<3>,2|H<1>}	109.9022	0.806	13	109.9022	0.650	13	109.6949	0.967	37	109.6949	0.967	37	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:1:	4:3:1:1:	4:4:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CCHH)(H)	C(C[5]O[5]2H)(CCC)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CH)	C[5](O[5]C[5])2(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2H)(CCC)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CH){1|C<3>,1|H<1>}	111.1640	0.000	1	111.0060	0.050	2	111.0060	0.050	2	111.0060	0.050	2	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:1:	4:3:1:1:	4:4:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CCHH)(H)	C(C[5]O[5]2H)(CCC)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CH)	C[5](O[5]C[5])2(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2H)(CCC)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CH){1|C<4>,1|H<1>}	110.8480	0.000	1	111.0060	0.050	2	111.0060	0.050	2	111.0060	0.050	2	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:1:	4:4:1:1:	4:4:	O[5]-2:O[5]-2:C-4:H-1:	C-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CCHH)(H)	C(CC[5]C[6]H)(C[5]O[5]2H)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CH)	C[5](O[5]C[5])2(CCHH)(H){4|H<1>}	C(CC[5]C[6]H)(C[5]O[5]2H)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CH){2|H<1>}	110.9685	0.957	2	110.9685	0.915	2	110.9685	0.915	2	110.6113	1.182	34	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:1:	4:4:1:1:	4:4:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5]-4:	C[5](O[5]C[5,5,6])2(CCHH)(H)	C(C[5]O[5]2H)(CCHH)(H)2	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CH)	C[5](O[5]C[5,5,6])2(CCHH)(H){2|C<4>,2|H<1>}	C(C[5]O[5]2H)(CCHH)(H)2	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CH){2|H<1>,3|C<4>}	110.4095	0.185	2	110.4095	0.034	2	110.4095	0.034	2	110.6113	1.182	34	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:1:	4:4:1:1:	4:4:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CCHH)(H)	C(C[5]O[5]2H)(CCCH)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CH)	C[5](O[5]C[5])2(CCHH)(H){4|H<1>}	C(C[5]O[5]2H)(CCCH)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CH){2|H<1>}	111.0865	0.472	2	111.0865	0.222	2	110.5414	1.201	26	110.6113	1.182	34	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:1:	4:4:1:1:	4:4:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CCHH)(H)	C(C[5]O[5]2H)(CCHH)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CH)	C[5](O[5]C[5])2(CCHH)(H){4|H<1>}	C(C[5]O[5]2H)(CCHH)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CH){2|H<1>}	110.9462	0.876	4	110.9462	0.768	4	110.5414	1.201	26	110.6113	1.182	34	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:1:	4:4:1:1:	4:4:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CCHH)(H)	C(C[5]O[5]2H)(CCHO)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CH)	C[5](O[5]C[5])2(CCHH)(H){4|H<1>}	C(C[5]O[5]2H)(CCHO)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CH){2|H<1>}	109.8155	0.190	2	109.8155	0.036	2	110.5414	1.201	26	110.6113	1.182	34	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:1:	4:4:1:1:	4:4:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CCHH)(H)	C(C[5]O[5]2H)(CC[4]HH)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CH)	C[5](O[5]C[5])2(CCHH)(H){4|H<1>}	C(C[5]O[5]2H)(CC[4]HH)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CH){2|H<1>}	111.5203	0.699	4	111.5203	0.489	4	110.5414	1.201	26	110.6113	1.182	34	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:1:	4:4:1:1:	4:4:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CCHH)(H)	C(C[5]O[5]2H)(CC[5]CH)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CH)	C[5](O[5]C[5])2(CCHH)(H){4|H<1>}	C(C[5]O[5]2H)(CC[5]CH)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CH){2|H<1>}	109.7695	0.218	2	109.7695	0.048	2	110.5414	1.201	26	110.6113	1.182	34	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:1:	4:4:1:1:	4:4:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CCHH)(H)	C(C[5]O[5]2H)(CC[5]HH)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CH)	C[5](O[5]C[5])2(CCHH)(H){4|H<1>}	C(C[5]O[5]2H)(CC[5]HH)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CH){2|H<1>}	110.6365	1.450	2	110.6365	2.103	2	110.5414	1.201	26	110.6113	1.182	34	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:1:	4:4:1:1:	4:4:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CCHH)(H)	C(C[5]O[5]2H)(CC[6a]CH)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CH)	C[5](O[5]C[5])2(CCHH)(H){4|H<1>}	C(C[5]O[5]2H)(CC[6a]CH)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CH){2|H<1>}	110.7680	0.290	2	110.7680	0.084	2	110.5414	1.201	26	110.6113	1.182	34	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:1:	4:4:1:1:	4:4:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CCHH)(H)	C(C[5]O[5]2H)(CC[6a]HH)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CH)	C[5](O[5]C[5])2(CCHH)(H){4|H<1>}	C(C[5]O[5]2H)(CC[6a]HH)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CH){2|H<1>}	110.9795	1.476	2	110.9795	2.178	2	110.5414	1.201	26	110.6113	1.182	34	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:1:	4:4:1:1:	4:4:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CCHH)(H)	C(C[5]O[5]2H)(CClHS)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CH)	C[5](O[5]C[5])2(CCHH)(H){4|H<1>}	C(C[5]O[5]2H)(CClHS)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CH){2|H<1>}	109.2218	1.053	4	109.2218	1.110	4	110.5414	1.201	26	110.6113	1.182	34	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:1:	4:4:1:1:	4:4:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CCHH)(H)	C(C[5]O[5]2H)(CHHS)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CH)	C[5](O[5]C[5])2(CCHH)(H){4|H<1>}	C(C[5]O[5]2H)(CHHS)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CH){2|H<1>}	110.6065	1.858	2	110.6065	3.451	2	110.5414	1.201	26	110.6113	1.182	34	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:1:	4:4:1:1:	4:4:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:P-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CHHP)(H)	C(C[5]O[5]2H)(PC[6a]2Ru)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CH)	C[5](O[5]C[5])2(CHHP)(H){4|H<1>}	C(C[5]O[5]2H)(PC[6a]2Ru)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CH){2|H<1>}	110.7840	2.021	2	110.7840	4.084	2	110.9880	2.333	4	110.6113	1.182	34	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:1:	4:4:1:1:	4:4:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:P-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CHHP)(H)	C(C[5]O[5]2H)(PC[6a]3)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CH)	C[5](O[5]C[5])2(CHHP)(H){4|H<1>}	C(C[5]O[5]2H)(PC[6a]3)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CH){2|H<1>}	111.1920	1.657	2	111.1920	2.747	2	110.9880	2.333	4	110.6113	1.182	34	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:1:	4:4:4:1:	4:4:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CCCH)(H)	C(C[5]O[5]2H)(CH3)2(H)	O[5](C[5]C[5]CH)(C[5]O[5]CH)	C[5](O[5]C[5])2(CCCH)(H){2|C<4>,2|H<1>}	C(C[5]O[5]2H)(CH3)2(H)	O[5](C[5]C[5]CH)(C[5]O[5]CH){1|C<4>,1|H<1>}	132.6160	19.208	2	132.6160	368.941	2	132.6160	368.941	2	132.6160	368.941	2	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:1:	4:4:4:4:	4:4:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CC3)(H)	C(C[5]O[5]2H)(CH3)3	O[5](C[5]C[5]CS)(C[5]O[5]CH)	C[5](O[5]C[5])2(CC3)(H){1|C<4>,1|O<1>,1|S<2>}	C(C[5]O[5]2H)(CH3)3	O[5](C[5]C[5]CS)(C[5]O[5]CH){1|O<1>}	112.9040	0.000	1	112.9040	0.000	1	112.6803	0.260	3	112.6803	0.260	3	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:1:	4:4:4:4:	4:4:	O[5]-2:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CC3)(H)	C(C[5]O[5]2H)(CH3)3	O[5](C[5]C[6a]C[5]C)(C[5]O[5]CH)	C[5](O[5]C[5])2(CC3)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[5]O[5]2H)(CH3)3	O[5](C[5]C[6a]C[5]C)(C[5]O[5]CH){1|O<1>,2|C<3>}	112.5685	0.667	2	112.5685	0.445	2	112.6803	0.260	3	112.6803	0.260	3	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:2:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])(O[5]C[5])(CH3)(OC)	C(C[5]O[5]2O)(H)3	O[5](C[5,5]C[5,6]C[5]2)(C[5]O[5]CO)	C[5](O[5]C[5,5])(O[5]C[5])(CH3)(OC){1|C<3>,2|C<4>}	C(C[5]O[5]2O)(H)3	O[5](C[5,5]C[5,6]C[5]2)(C[5]O[5]CO){1|C<3>,2|H<1>,4|C<4>}	113.8785	0.091	2	113.8785	0.008	2	112.3992	3.015	4	112.3992	3.015	4	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:2:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)(OC)	C(C[5]O[5]2O)(H)3	O[5](C[5,5]C[5,5]C[5,6]C)(C[5]O[5]CO)	C[5](O[5]C[5,5])2(CH3)(OC){1|C<3>,1|H<1>,2|C<4>}	C(C[5]O[5]2O)(H)3	O[5](C[5,5]C[5,5]C[5,6]C)(C[5]O[5]CO){1|H<1>,4|C<4>}	110.5440	0.000	1	110.5440	0.000	1	112.3992	3.015	4	112.3992	3.015	4	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:2:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)(OC)	C(C[5]O[5]2O)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CO)	C[5](O[5]C[5,5])2(CH3)(OC){1|C<3>,1|H<1>,2|C<4>}	C(C[5]O[5]2O)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CO){1|C<3>,2|C<4>,2|H<1>}	111.2960	0.000	1	111.2960	0.000	1	112.3992	3.015	4	112.3992	3.015	4	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:3:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)(CHH)	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)(CHH){1|C<4>,1|O<2>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	109.0210	0.000	1	110.1440	2.522	2	109.6195	1.257	4	109.0201	3.751	7	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:3:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)(CHH)	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)(CHH){2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	111.2670	0.000	1	110.1440	2.522	2	109.6195	1.257	4	109.0201	3.751	7	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:3:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)(CHH)	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)(CHH){2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	109.3680	0.000	1	109.3680	0.000	1	109.6195	1.257	4	109.0201	3.751	7	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:3:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)(CHH)	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)(CHH){1|C<4>,1|O<2>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	108.8220	0.000	1	108.8220	0.000	1	109.6195	1.257	4	109.0201	3.751	7	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:3:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CH3)(COO)	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)(COO){1|C<4>,1|H<1>,1|O<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|O<1>}	110.4390	0.000	1	110.4390	0.000	1	110.4390	0.000	1	109.0201	3.751	7	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:3:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:N-3:	C[5]-4:Cl-1:Cl-1:Cl-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CCl3)(NHH)	C(C[5]O[5]2N)(Cl)3	O[5](C[5]C[5]CH)(C[5]O[5]CN)	C[5](O[5]C[5])2(CCl3)(NHH){1|C<4>,3|H<1>}	C(C[5]O[5]2N)(Cl)3	O[5](C[5]C[5]CH)(C[5]O[5]CN){2|H<1>}	105.1120	0.000	1	105.1120	0.000	1	107.1120	8.000	2	109.0201	3.751	7	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:3:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:N-3:	C[5]-4:Cl-1:Cl-1:Cl-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CCl3)(NHH)	C(C[5]O[5]2N)(Cl)3	O[5](C[5]C[5]HH)(C[5]O[5]CN)	C[5](O[5]C[5])2(CCl3)(NHH){1|C<4>,3|H<1>}	C(C[5]O[5]2N)(Cl)3	O[5](C[5]C[5]HH)(C[5]O[5]CN){1|C<4>,1|H<1>}	109.1120	0.000	1	109.1120	0.000	1	107.1120	8.000	2	109.0201	3.751	7	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:3:	4:4:4:1:	4:4:	O[5]-2:O[5]-2:C-4:C-3:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CC[5]CH)(CCH)	C(C[5]C[5]2C)(C[5]O[5]2C)(CHHN)(H)	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](O[5]C[5])2(CC[5]CH)(CCH){4|H<1>}	C(C[5]C[5]2C)(C[5]O[5]2C)(CHHN)(H)	O[5](C[5]C[5]HH)(C[5]O[5]CC){2|H<1>}	109.7965	0.493	2	109.7965	0.243	2	109.7965	0.243	2	109.7965	0.243	2	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:3:	4:4:4:4:	4:4:	O[5]-2:O[5]-2:C-4:C-3:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CC3)(COO)	C(C[5]O[5]2C)(CH3)3	O[5](C[5]C[5]CO)(C[5]O[5]CC)	C[5](O[5]C[5])2(CC3)(COO){1|C<4>,1|O<1>,1|O<2>}	C(C[5]O[5]2C)(CH3)3	O[5](C[5]C[5]CO)(C[5]O[5]CC){1|O<1>}	110.6170	0.000	1	110.6170	0.000	1	110.6170	0.000	1	110.6170	0.000	1	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	3:4:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CC[6]HH)(CH3)	C(C[6]C[6,6]C[6])(C[5]O[5]2C)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](O[5]C[5])2(CC[6]HH)(CH3){4|H<1>}	C(C[6]C[6,6]C[6])(C[5]O[5]2C)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CC){2|H<1>}	109.2935	1.688	4	109.2935	2.851	4	109.2935	2.851	4	109.2935	2.851	4	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	N[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:P[5]-4:	C[5](N[5]C[5])(O[5]P[5])(CH3)2	C(C[5]N[5]O[5]C)(H)3	O[5](C[5]N[5]CC)(P[5]C[5]CW)	C[5](N[5]C[5])(O[5]P[5])(CH3)2{1|W<6>,2|C<4>}	C(C[5]N[5]O[5]C)(H)3	O[5](C[5]N[5]CC)(P[5]C[5]CW){1|C<4>}	107.5950	0.632	2	107.5950	0.400	2	107.5950	0.400	2	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CF3)2	C(C[5]O[5]2C)(F)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CF3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(F)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	108.4080	0.647	8	108.4080	0.419	8	108.4080	0.419	8	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CCHO)(CFFH)	C(C[5]O[5]2C)(F)2(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](O[5]C[5])2(CCHO)(CFFH){1|H<1>,1|O<2>,2|C<4>}	C(C[5]O[5]2C)(F)2(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|O<2>}	111.2880	0.000	1	111.2880	0.000	1	108.0440	21.047	2	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CCHO)(CFFH)	C(C[5]O[5]2C)(F)2(H)	O[5](C[5]C[5]CO)(C[5]O[5]CC)	C[5](O[5]C[5])2(CCHO)(CFFH){1|H<1>,1|O<2>,2|C<4>}	C(C[5]O[5]2C)(F)2(H)	O[5](C[5]C[5]CO)(C[5]O[5]CC){1|C<4>,1|H<1>}	104.8000	0.000	1	104.8000	0.000	1	108.0440	21.047	2	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5]-4:	C[5](O[5]C[3x5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5]O[5]CC)	C[5](O[5]C[3x5,6])2(CH3)2{2|C<3>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[3x5,6]C[3x5,6]C[5,6]C[5])(C[5]O[5]CC){1|O<1>,2|C<3>,4|C<4>}	108.2330	0.000	1	108.2330	0.000	1	108.2330	0.000	1	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[3x5]-4:C[5]-4:	C[5](O[5]C[3x5])(O[5]C[5,5])(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[3x5]C[5,5]2C[5])(C[5]O[5]CC)	C[5](O[5]C[3x5])(O[5]C[5,5])(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[3x5]C[5,5]2C[5])(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	109.7440	1.400	2	109.5953	1.635	6	109.5953	1.635	6	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[3x5]-4:C[5]-4:	C[5](O[5]C[3x5])(O[5]C[5,5])(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[3x5]C[5,5]2C[5])(C[5]O[5]CC)	C[5](O[5]C[3x5])(O[5]C[5,5])(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[3x5]C[5,5]2C[5])(C[5]O[5]CC){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	109.5210	1.432	4	109.5953	1.635	6	109.5953	1.635	6	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[4,5,6]-4:C[5]-4:	C[5](O[5]C[4,5,6])(O[5]C[4,5])(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[4,5,6]C[4,5]C[4,6]C[6])(C[5]O[5]CC)	C[5](O[5]C[4,5,6])(O[5]C[4,5])(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C(C[5]O[5]2C)(H)3	O[5](C[4,5,6]C[4,5]C[4,6]C[6])(C[5]O[5]CC){1|C<3>,2|C<4>,3|H<1>}	110.0755	2.200	2	110.0755	4.839	2	110.0755	4.839	2	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[4,5]-4:C[5]-4:	C[5](O[5]C[4,5,6])(O[5]C[4,5])(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[4,5]C[4,5,6]C[4]H)(C[5]O[5]CC)	C[5](O[5]C[4,5,6])(O[5]C[4,5])(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C(C[5]O[5]2C)(H)3	O[5](C[4,5]C[4,5,6]C[4]H)(C[5]O[5]CC){1|C<4>,2|C<3>}	109.3130	1.739	2	109.3130	3.026	2	109.4895	1.801	20	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[4,5]-4:C[5]-4:	C[5](O[5]C[4,5])(O[5]C[5])(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[4,5]C[4,6]C[4]C[5])(C[5]O[5]CC)	C[5](O[5]C[4,5])(O[5]C[5])(CH3)2{1|C<3>,1|C<4>,1|O<1>}	C(C[5]O[5]2C)(H)3	O[5](C[4,5]C[4,6]C[4]C[5])(C[5]O[5]CC){1|N<3>,2|C<3>,2|O<1>}	110.1290	1.976	2	110.1290	3.903	2	109.4895	1.801	20	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[4,5]-4:C[5]-4:	C[5](O[5]C[4,5])(O[5]C[5])(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[4,5]C[4]2C[5])(C[5]O[5]CC)	C[5](O[5]C[4,5])(O[5]C[5])(CH3)2{1|C<3>,1|C<4>,1|O<1>}	C(C[5]O[5]2C)(H)3	O[5](C[4,5]C[4]2C[5])(C[5]O[5]CC){1|N<3>,2|C<3>,2|O<1>}	109.4495	1.234	8	109.4495	1.523	8	109.4895	1.801	20	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[4,5]-4:C[5]-4:	C[5](O[5]C[4,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[4,5]C[4,5]C[4]C)(C[5]O[5]CC)	C[5](O[5]C[4,5])2(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C(C[5]O[5]2C)(H)3	O[5](C[4,5]C[4,5]C[4]C)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>}	109.9205	2.092	2	109.9205	4.378	2	109.4895	1.801	20	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[4,5]-4:C[5]-4:	C[5](O[5]C[4,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]CC)	C[5](O[5]C[4,5])2(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C(C[5]O[5]2C)(H)3	O[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]CC){1|C<4>,2|C<3>}	109.3010	1.847	2	109.2447	2.124	6	109.4895	1.801	20	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[4,5]-4:C[5]-4:	C[5](O[5]C[4,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]CC)	C[5](O[5]C[4,5])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]CC){1|C<4>,1|N<3>,2|H<1>}	109.5490	2.452	2	109.2447	2.124	6	109.4895	1.801	20	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[4,5]-4:C[5]-4:	C[5](O[5]C[4,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]CC)	C[5](O[5]C[4,5])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]CC){2|C<4>,2|H<1>}	108.8840	0.861	2	109.2447	2.124	6	109.4895	1.801	20	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:	C[5](O[5]C[5,5,6])(O[5]C[5,5])(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]O[5]CC)	C[5](O[5]C[5,5,6])(O[5]C[5,5])(CH3)2{1|H<1>,3|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]O[5]CC){1|O<2>,3|C<4>,4|H<1>}	109.5465	0.633	4	109.5465	0.401	4	109.5884	0.873	84	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:	C[5](O[5]C[5,5,6])(O[5]C[5,6])(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5,6]C[5,6]2C[5])(C[5]O[5]CC)	C[5](O[5]C[5,5,6])(O[5]C[5,6])(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5,6]C[5,6]2C[5])(C[5]O[5]CC){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	109.2795	1.104	4	109.4500	0.496	12	109.5884	0.873	84	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:	C[5](O[5]C[5,5,6])(O[5]C[5,6])(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5,6]C[5,6]2C[5])(C[5]O[5]CC)	C[5](O[5]C[5,5,6])(O[5]C[5,6])(CH3)2{1|H<1>,3|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5,6]C[5,6]2C[5])(C[5]O[5]CC){1|O<2>,3|C<4>,4|H<1>}	109.5353	0.482	8	109.4500	0.496	12	109.5884	0.873	84	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:	C[5](O[5]C[5,5,6])(O[5]C[5])(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]CC)	C[5](O[5]C[5,5,6])(O[5]C[5])(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]CC){1|C<3>,1|O<2>,2|C<4>,2|F<1>,2|H<1>}	109.1432	0.955	4	109.1432	0.912	4	109.5884	0.873	84	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:	C[5](O[5]C[5,5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[5]O[5]CC)	C[5](O[5]C[5,5,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<4>}	109.4274	0.968	8	109.4274	0.937	8	109.5884	0.873	84	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:	C[5](O[5]C[5,5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5,6]C[5,5,6]2C)(C[5]O[5]CC)	C[5](O[5]C[5,5,6])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5,6]C[5,5,6]2C)(C[5]O[5]CC){2|H<1>,3|C<4>}	109.4745	2.548	2	109.3655	3.085	4	109.5884	0.873	84	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:	C[5](O[5]C[5,5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5,6]C[5,5,6]2C)(C[5]O[5]CC)	C[5](O[5]C[5,5,6])2(CH3)2{1|H<1>,3|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5,6]C[5,5,6]2C)(C[5]O[5]CC){1|H<1>,2|C<4>,2|O<2>}	109.2565	1.648	2	109.3655	3.085	4	109.5884	0.873	84	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:	C[5](O[5]C[5,5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC)	C[5](O[5]C[5,5,6])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC){1|C<3>,1|H<1>,3|C<4>}	109.7805	1.187	2	109.6998	0.886	52	109.5884	0.873	84	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:	C[5](O[5]C[5,5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC)	C[5](O[5]C[5,5,6])2(CH3)2{1|H<1>,3|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<4>}	109.2495	0.975	2	109.6998	0.886	52	109.5884	0.873	84	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:	C[5](O[5]C[5,5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC)	C[5](O[5]C[5,5,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	110.0938	0.411	8	109.6998	0.886	52	109.5884	0.873	84	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:	C[5](O[5]C[5,5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC)	C[5](O[5]C[5,5,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	110.0395	1.075	6	109.6998	0.886	52	109.5884	0.873	84	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:	C[5](O[5]C[5,5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC)	C[5](O[5]C[5,5,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	109.5290	1.149	4	109.6998	0.886	52	109.5884	0.873	84	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:	C[5](O[5]C[5,5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC)	C[5](O[5]C[5,5,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC){1|Cl<1>,1|H<1>,3|C<4>}	109.1240	1.072	4	109.6998	0.886	52	109.5884	0.873	84	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:	C[5](O[5]C[5,5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC)	C[5](O[5]C[5,5,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC){1|H<1>,2|C<4>,2|O<2>}	109.6015	0.824	2	109.6998	0.886	52	109.5884	0.873	84	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:	C[5](O[5]C[5,5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC)	C[5](O[5]C[5,5,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	109.4741	1.361	8	109.6998	0.886	52	109.5884	0.873	84	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:	C[5](O[5]C[5,5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC)	C[5](O[5]C[5,5,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	109.7333	0.839	16	109.6998	0.886	52	109.5884	0.873	84	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[3x5])(O[5]C[5,5])(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[3x5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[3x5])(O[5]C[5,5])(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[3x5]C[5]H)(C[5]O[5]CC){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	109.8203	1.751	6	109.8203	3.066	6	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5,6])(O[5]C[5,5])(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5,6]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5,6])(O[5]C[5,5])(CH3)2{1|H<1>,3|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5,6]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	109.3692	2.577	4	109.3692	6.639	4	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]O[5]CC)	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]O[5]CC){1|O<2>,2|C<4>,3|H<1>}	109.2335	1.698	4	109.2335	2.885	4	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,6]C[5]2)(C[5]O[5]CC)	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,6]C[5]2)(C[5]O[5]CC){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	108.8215	0.474	2	108.8215	0.225	2	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]CC)	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2{2|C<3>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,6a]C[5]2)(C[5]O[5]CC){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	109.0210	0.594	2	109.0210	0.353	2	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5]3)(C[5]O[5]CC)	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5]3)(C[5]O[5]CC){1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	108.7960	0.209	2	109.3251	1.040	16	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5]3)(C[5]O[5]CC)	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5]3)(C[5]O[5]CC){1|C<4>,1|O<1>,2|O<2>,3|H<1>}	108.7157	1.013	4	109.3251	1.040	16	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5]3)(C[5]O[5]CC)	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5]3)(C[5]O[5]CC){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	110.4720	1.169	4	109.3251	1.040	16	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5]3)(C[5]O[5]CC)	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2{1|H<1>,3|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5]3)(C[5]O[5]CC){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	109.2490	0.267	4	109.3251	1.040	16	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5]3)(C[5]O[5]CC)	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5]3)(C[5]O[5]CC){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	108.9315	0.728	2	109.3251	1.040	16	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[3,5]C[5,5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[3,5]C[5,5]H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<4>}	110.0375	1.780	2	109.7293	1.247	4	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[3,5]C[5,5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[3,5]C[5,5]H)(C[5]O[5]CC){2|H<1>,3|C<4>}	109.4210	0.440	2	109.7293	1.247	4	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[3x5]C[5,5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[3x5]C[5,5]H)(C[5]O[5]CC){1|H<1>,2|C<4>,2|O<2>}	109.7510	0.008	2	109.7510	0.000	2	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[3x6]C[5,5]C[5])(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[3x6]C[5,5]C[5])(C[5]O[5]CC){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	109.7605	0.525	2	109.5212	0.444	8	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[3x6]C[5,5]C[5])(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|H<1>,3|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[3x6]C[5,5]C[5])(C[5]O[5]CC){1|O<2>,3|H<1>,4|C<4>}	109.4497	0.886	4	109.5212	0.444	8	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[3x6]C[5,5]C[5])(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|H<1>,3|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[3x6]C[5,5]C[5])(C[5]O[5]CC){2|H<1>,2|O<2>,4|C<4>}	109.4250	0.569	2	109.5212	0.444	8	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[4,5]C[5,5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[4,5]C[5,5]H)(C[5]O[5]CC){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	110.2285	2.188	2	110.2285	4.790	2	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]O[5]CC){1|C<3>,1|H<1>,3|C<4>}	109.1855	1.914	2	109.1855	3.664	2	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC){1|H<1>,1|N<2>,2|C<4>}	109.2340	0.841	2	109.5751	1.367	44	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC){1|C<4>,1|H<1>,3|O<2>}	109.3950	2.380	2	109.5751	1.367	44	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	109.6572	1.149	12	109.5751	1.367	44	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	108.9230	1.247	2	109.5751	1.367	44	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC){1|H<1>,2|C<4>,2|O<2>}	109.6833	0.677	10	109.5751	1.367	44	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	109.5531	1.514	10	109.5751	1.367	44	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]2H)(C[5]O[5]CC){1|N<4>,2|C<4>,2|H<1>}	109.6580	1.426	6	109.5751	1.367	44	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5,6]C)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5,6]C)(C[5]O[5]CC){1|H<1>,4|C<4>}	109.8505	2.343	4	109.8505	5.489	4	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	109.5156	1.274	12	109.6081	1.242	115	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	108.2935	2.090	2	109.6081	1.242	115	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	109.3046	0.821	5	109.6081	1.242	115	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|C<4>,2|C<3>,2|H<1>}	110.2820	1.259	8	109.6081	1.242	115	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	109.3550	0.484	2	109.6081	1.242	115	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	108.8020	1.843	2	109.6081	1.242	115	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	109.6985	1.436	2	109.6081	1.242	115	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|C<4>,1|O<2>,1|S<4>,2|H<1>}	109.7470	1.671	4	109.6081	1.242	115	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	109.6387	0.993	48	109.6081	1.242	115	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|H<1>,2|C<4>,2|O<2>}	110.1170	1.474	2	109.6081	1.242	115	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|H<1>,1|O<2>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|H<1>,2|C<4>,2|O<2>}	109.6215	0.992	6	109.6081	1.242	115	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	109.0285	0.416	2	109.6081	1.242	115	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	109.6790	1.199	6	109.6081	1.242	115	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	109.5445	1.136	2	109.6081	1.242	115	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	109.5761	1.355	8	109.6081	1.242	115	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	109.5575	1.428	4	109.6081	1.242	115	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]2)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]2)(C[5]O[5]CC){1|H<1>,1|O<1>,2|C<4>,3|O<2>}	109.1553	1.163	6	109.2854	1.774	8	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]2)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|H<1>,1|O<2>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]2)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	109.6755	2.290	2	109.2854	1.774	8	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	109.9955	0.648	2	109.6133	1.426	34	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	109.5825	1.131	2	109.6133	1.426	34	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC){1|C<3>,1|H<1>,2|C<4>}	109.4090	0.154	2	109.6133	1.426	34	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC){1|C<3>,1|O<2>,3|H<1>}	109.6565	1.736	2	109.6133	1.426	34	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	109.6006	1.335	8	109.6133	1.426	34	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC){1|C<4>,1|H<1>,3|C<3>}	109.1190	0.291	2	109.6133	1.426	34	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC){2|C<4>,3|H<1>}	109.6260	2.329	2	109.6133	1.426	34	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,3|C<3>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	109.3985	1.849	2	109.6133	1.426	34	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,3|C<3>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC){1|O<2>,2|C<3>,2|H<1>}	109.1480	0.860	2	109.6133	1.426	34	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|H<1>,3|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	110.2500	2.609	2	109.6133	1.426	34	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|H<1>,3|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	109.5295	0.868	2	109.6133	1.426	34	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|H<1>,3|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC){2|H<1>,3|C<4>}	110.0345	1.777	2	109.6133	1.426	34	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{4|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC){1|H<1>,2|C<4>,2|O<2>}	109.9195	2.090	2	109.6133	1.426	34	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{4|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	109.3550	1.485	2	109.6133	1.426	34	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]C[6])(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|H<1>,3|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]C[6])(C[5]O[5]CC){2|O<2>,3|C<4>,3|H<1>}	109.8015	0.944	2	109.8015	0.891	2	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	108.8882	1.009	6	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	109.5805	1.826	2	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	109.5618	1.360	4	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	110.1707	1.488	4	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<3>,1|N<3>,3|H<1>}	109.8220	1.106	8	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	109.6771	1.490	12	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	109.4240	0.526	2	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|N<3>,2|H<1>}	109.5105	1.113	4	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,1|N<2>,2|C<4>}	109.5835	1.456	2	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,1|N<3>,2|C<4>}	109.2470	0.304	2	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,1|O<1>,2|C<4>}	109.5096	1.190	8	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	109.5880	0.735	2	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	110.0020	0.735	4	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	109.6494	1.310	10	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	109.7163	1.082	4	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<3>,3|C<4>}	110.7260	2.209	2	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,2|C<3>,2|H<1>}	109.7035	2.051	2	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,2|C<3>,2|C<4>}	110.6040	1.624	2	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<1>,1|O<2>,2|C<4>}	109.6528	1.943	6	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|O<2>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	109.7795	1.199	2	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|O<2>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	108.8840	1.905	2	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|O<2>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	109.4310	2.008	2	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	108.7910	3.076	2	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	109.9825	1.318	6	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	109.7185	2.220	2	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	109.8757	1.752	6	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	109.8475	1.089	8	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|O<2>,1|O<3>,2|H<1>}	109.5421	0.918	8	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	109.6600	1.619	4	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	110.2730	1.419	4	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	109.6612	1.231	184	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	109.2300	1.058	4	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	109.5615	1.826	2	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>,2|O<2>}	108.9024	1.742	10	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	109.8655	1.281	10	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|H<1>,1|O<2>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,1|O<2>,1|O<3>,2|C<4>}	109.4440	1.986	2	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|H<1>,1|O<2>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>,2|O<2>}	110.0408	1.207	8	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|H<1>,3|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,1|N<3>,3|C<4>}	109.5125	0.770	2	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|H<1>,3|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<4>}	110.0450	2.833	2	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|H<1>,3|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>,2|O<2>}	109.9513	1.673	4	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|H<1>,3|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	109.7353	1.422	4	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|H<1>,3|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){2|O<2>,3|C<4>}	109.1525	0.739	2	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{2|C<3>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	109.5847	1.187	4	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{2|C<3>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,1|O<1>,2|C<3>}	109.6305	1.737	2	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{2|C<3>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,3|C<3>}	109.5670	1.925	2	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	109.3280	0.506	2	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	109.1175	0.629	4	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	110.0872	1.259	4	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	109.5212	1.204	36	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|N<3>,3|H<1>}	109.6903	1.397	26	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|N<4>,3|H<1>}	109.4445	2.481	2	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	110.1747	1.648	20	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	109.5728	1.144	36	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	110.1470	0.006	2	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<4>}	108.9170	1.448	2	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>,2|O<2>}	109.9730	1.673	6	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	109.6834	1.285	55	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|N<4>,2|C<4>,2|H<1>}	109.5605	1.232	4	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	109.8361	1.425	118	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){2|C<4>,3|H<1>}	109.8385	1.904	2	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){2|H<1>,3|C<4>}	109.7867	1.177	4	109.6950	1.688	697	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[6]O[5])(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|H<1>,1|O<2>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[6]O[5])(C[5]O[5]CC){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	110.1375	1.626	2	110.1375	2.643	2	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5]O[5]CC){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	109.8855	2.156	2	109.9670	2.226	4	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]C[6a]C[5])(C[5]O[5]CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	110.0485	1.415	2	109.9670	2.226	4	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC){1|H<1>,2|C<3>}	109.5525	1.382	2	109.0697	0.800	28	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC){1|H<1>,2|C<4>}	109.1848	0.675	12	109.0697	0.800	28	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|H<1>,1|O<2>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]O[5]C)(C[5]O[5]CC){1|H<1>,2|C<4>}	108.9022	1.025	14	109.0697	0.800	28	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|O<2>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>}	109.7853	1.320	6	109.4885	0.841	336	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>}	110.9115	1.988	2	109.4885	0.841	336	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	109.4703	0.897	326	109.4885	0.841	336	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|H<1>,1|O<2>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]CC){3|C<4>}	110.1390	1.491	2	109.4885	0.841	336	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5a]C[5,5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,5a]C[5,5]H)(C[5]O[5]CC){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	109.7320	0.670	2	109.7320	0.449	2	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]CC){1|C<4>,1|O<2>,2|C<3>}	109.9540	2.814	2	109.8957	2.718	4	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	109.8375	0.469	2	109.8957	2.718	4	109.6072	1.409	1332	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5](O[5]C[5,6,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,3|C<4>}	109.7972	1.114	14	109.7972	1.242	14	109.5276	1.069	72	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5](O[5]C[5,6,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]O[5]CC)	C[5](O[5]C[5,6,6])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	109.2240	1.713	2	109.2240	2.933	2	109.5276	1.069	72	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5](O[5]C[5,6,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6,6])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	109.4565	0.042	2	109.4533	1.047	48	109.5276	1.069	72	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5](O[5]C[5,6,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,3|C<4>}	109.2174	1.058	8	109.4533	1.047	48	109.5276	1.069	72	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5](O[5]C[5,6,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	109.4633	1.030	28	109.4533	1.047	48	109.5276	1.069	72	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5](O[5]C[5,6,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC){1|C<4>,2|C<3>,2|H<1>}	109.5743	1.041	8	109.4533	1.047	48	109.5276	1.069	72	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5](O[5]C[5,6,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]O[5]CC){1|H<1>,4|C<4>}	109.7705	2.087	2	109.4533	1.047	48	109.5276	1.069	72	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5](O[5]C[5,6,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6,6]C[5,6,6]C[4x6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6,6]C[5,6,6]C[4x6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,3|C<4>}	109.5776	0.938	8	109.5776	0.880	8	109.5276	1.069	72	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,5,6])(O[5]C[5,6])(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,5,6])(O[5]C[5,6])(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	110.2908	1.684	4	110.0156	1.753	12	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,5,6])(O[5]C[5,6])(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,5,6])(O[5]C[5,6])(CH3)2{1|H<1>,3|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]O[5]CC){2|H<1>,3|C<4>}	109.8780	1.214	8	110.0156	1.753	12	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[5]C[6])(C[5]O[5]CC)	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[5]C[6])(C[5]O[5]CC){2|C<4>,2|O<2>,4|H<1>}	109.0370	0.167	2	109.0370	0.028	2	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6,6]C[5])(C[5]O[5]CC)	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6,6]C[5])(C[5]O[5]CC){2|C<4>,2|O<2>,4|H<1>}	108.6548	0.704	4	108.6548	0.495	4	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5]C[6]2)(C[5]O[5]CC)	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2{1|H<1>,3|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5]C[6]2)(C[5]O[5]CC){2|C<4>,2|O<2>,4|H<1>}	109.2160	1.253	2	109.1608	0.323	6	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5]C[6]2)(C[5]O[5]CC)	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5]C[6]2)(C[5]O[5]CC){1|C<3>,1|O<2>,2|C<4>,2|F<1>,2|H<1>}	109.1333	0.110	4	109.1608	0.323	6	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5]C[6]O[6])(C[5]O[5]CC)	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2{1|C<3>,1|O<2>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5]C[6]O[6])(C[5]O[5]CC){1|O<1>,2|C<4>,2|H<1>}	109.1055	1.370	4	109.1843	1.477	6	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5]C[6]O[6])(C[5]O[5]CC)	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5]C[6]O[6])(C[5]O[5]CC){2|C<4>,2|H<1>,2|O<2>}	109.3420	1.297	2	109.1843	1.477	6	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[3,6,6]C[5,6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[3,6,6]C[5,6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,3|C<4>}	109.4113	1.570	6	109.4113	2.465	6	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[3,6]C[5,6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[3,6]C[5,6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	109.3692	0.683	6	109.3692	0.467	6	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[3x6]C[5,6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[3x6]C[5,6]H)(C[5]O[5]CC){1|H<1>,1|N<3>,3|C<4>}	110.0765	0.730	2	110.0765	0.534	2	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,3|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<4>}	109.4488	1.271	4	109.4488	1.616	4	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	109.2145	1.784	2	109.3295	2.721	4	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]O[5]CC){1|H<1>,2|C<3>,2|C<4>}	109.4445	2.220	2	109.3295	2.721	4	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]2C)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]2C)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	108.5725	1.842	2	109.0842	1.621	4	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]2C)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,3|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]2C)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	109.5960	0.649	2	109.0842	1.621	4	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]2C[6])(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,3|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]2C[6])(C[5]O[5]CC){1|O<2>,3|H<1>,4|C<4>}	109.7140	1.428	2	109.7140	2.040	2	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,1|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	109.8520	0.693	2	109.6002	1.913	225	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|C<2>,1|C<4>,1|H<1>,1|N<3>}	109.0145	1.886	2	109.6002	1.913	225	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	109.9099	1.421	8	109.6002	1.913	225	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|H<1>,1|N<2>,2|C<4>}	109.1577	1.128	4	109.6002	1.913	225	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	109.8405	1.654	2	109.6002	1.913	225	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|C<3>,2|H<1>,2|O<2>}	109.6115	1.015	2	109.6002	1.913	225	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	109.6950	1.294	60	109.6002	1.913	225	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,1|O<2>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|H<1>,2|C<4>,2|O<2>}	110.1150	1.821	8	109.6002	1.913	225	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,1|O<3>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|H<1>,1|O<2>,1|O<3>,2|C<4>}	110.4050	4.736	2	109.6002	1.913	225	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,3|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<4>}	109.5715	1.635	4	109.6002	1.913	225	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	109.6520	1.578	2	109.6002	1.913	225	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	109.2807	0.664	4	109.6002	1.913	225	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<4>}	110.0660	1.823	6	109.6002	1.913	225	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	109.7950	1.762	6	109.6002	1.913	225	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	109.4689	1.361	111	109.6002	1.913	225	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]2H)(C[5]O[5]CC){2|H<1>,3|C<4>}	109.5660	0.410	2	109.6002	1.913	225	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	109.4310	1.329	4	109.2513	1.965	44	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	109.9758	1.680	4	109.2513	1.965	44	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	109.2455	1.256	4	109.2513	1.965	44	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	108.8886	1.604	10	109.2513	1.965	44	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	108.9495	2.631	2	109.2513	1.965	44	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC){1|H<1>,1|N<3>,3|C<4>}	109.5945	0.511	2	109.2513	1.965	44	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	109.2670	1.449	4	109.2513	1.965	44	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	109.3619	1.512	10	109.2513	1.965	44	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]CC){2|H<1>,3|C<4>}	108.9470	1.199	4	109.2513	1.965	44	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]2)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]2)(C[5]O[5]CC){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	109.2645	1.438	2	109.2645	2.067	2	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	109.6252	1.300	6	109.4719	1.344	40	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){1|C<4>,1|H<1>,1|N<2>,1|O<1>}	108.7805	2.201	2	109.4719	1.344	40	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	109.2935	1.031	6	109.4719	1.344	40	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){1|C<4>,1|H<1>,2|C<3>}	109.0130	1.506	2	109.4719	1.344	40	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){1|Co<9>,2|C<4>,2|H<1>}	108.9505	0.991	2	109.4719	1.344	40	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){1|H<1>,1|O<1>,2|C<4>}	109.3200	1.438	2	109.4719	1.344	40	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,3|C<3>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){2|C<3>,2|H<1>}	109.9970	1.720	2	109.4719	1.344	40	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,3|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){1|C<2>,1|C<4>,1|N<3>,2|H<1>}	109.0130	1.484	2	109.4719	1.344	40	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,3|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){1|C<3>,1|C<4>,3|H<1>}	109.9735	1.186	4	109.4719	1.344	40	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,3|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	109.5285	0.875	2	109.4719	1.344	40	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,3|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	109.4305	1.125	2	109.4719	1.344	40	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,3|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	109.7382	1.314	6	109.4719	1.344	40	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,3|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC){2|C<4>,3|H<1>}	109.4880	1.935	2	109.4719	1.344	40	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	109.7905	1.275	10	109.5493	1.827	646	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|I<1>}	109.7262	1.853	6	109.5493	1.827	646	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	109.5715	2.357	2	109.5493	1.827	646	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	109.2525	1.698	6	109.5493	1.827	646	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	109.4199	1.190	42	109.5493	1.827	646	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,2|H<1>}	109.3424	1.215	18	109.5493	1.827	646	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,3|H<1>}	109.8500	1.172	22	109.5493	1.827	646	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,2|C<4>}	109.6612	1.623	6	109.5493	1.827	646	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|O<2>,3|H<1>}	109.5893	1.581	26	109.5493	1.827	646	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|H<1>,2|C<3>}	109.4778	1.671	12	109.5493	1.827	646	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,1|O<1>,2|C<4>}	109.3299	1.419	36	109.5493	1.827	646	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<3>,2|H<1>}	109.7360	1.680	2	109.5493	1.827	646	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	109.5651	1.626	10	109.5493	1.827	646	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	109.6870	1.737	2	109.5493	1.827	646	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|Co<9>,1|C<3>,1|H<1>,2|C<4>}	110.6355	1.582	2	109.5493	1.827	646	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<1>,3|C<4>}	110.2000	1.310	2	109.5493	1.827	646	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|O<1>,2|C<4>}	109.2740	3.147	2	109.5493	1.827	646	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	110.0705	2.365	2	109.5493	1.827	646	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,3|C<3>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,3|C<3>}	110.0090	1.482	2	109.5493	1.827	646	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,3|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,3|C<4>}	110.2600	1.365	2	109.5493	1.827	646	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,3|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|N<2>,3|C<4>}	109.4720	1.133	2	109.5493	1.827	646	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,3|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|O<2>,3|C<4>}	108.5380	0.000	1	109.5493	1.827	646	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,3|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	108.7193	1.954	3	109.5493	1.827	646	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,3|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<4>}	109.8109	1.384	8	109.5493	1.827	646	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,3|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,4|C<4>}	110.2685	2.600	2	109.5493	1.827	646	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,3|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){2|H<1>,3|C<4>}	109.7715	2.019	2	109.5493	1.827	646	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|Br<1>,2|C<4>,2|H<1>}	109.5743	0.947	4	109.5493	1.827	646	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<2>,1|C<4>,1|N<3>,2|H<1>}	109.0595	0.887	2	109.5493	1.827	646	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	109.7780	3.295	2	109.5493	1.827	646	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<4>,2|H<1>}	109.1685	1.678	2	109.5493	1.827	646	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	109.2236	1.082	18	109.5493	1.827	646	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,3|H<1>}	109.3408	1.576	10	109.5493	1.827	646	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	109.7938	1.123	8	109.5493	1.827	646	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	109.5743	1.427	6	109.5493	1.827	646	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	109.3462	1.440	12	109.5493	1.827	646	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	109.4930	1.249	2	109.5493	1.827	646	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|N<3>,1|S<2>,2|H<1>}	109.2678	1.307	4	109.5493	1.827	646	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|N<3>,3|H<1>}	109.4291	1.501	10	109.5493	1.827	646	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	109.7436	1.413	25	109.5493	1.827	646	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|O<3>,3|H<1>}	110.3450	3.155	2	109.5493	1.827	646	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,1|S<2>,3|H<1>}	109.8170	1.433	4	109.5493	1.827	646	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|C<4>,2|H<1>,2|O<2>}	109.5958	1.831	14	109.5493	1.827	646	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	109.3490	1.315	2	109.5493	1.827	646	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|Fe<7>,1|C<3>,1|H<1>,2|C<4>}	109.4060	1.136	2	109.5493	1.827	646	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|Fe<7>,2|C<4>,2|H<1>}	110.0685	1.496	2	109.5493	1.827	646	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<4>}	109.3667	1.213	6	109.5493	1.827	646	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,2|C<3>,2|C<4>}	110.5525	1.517	2	109.5493	1.827	646	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,2|C<4>,2|F<1>}	108.9695	1.382	2	109.5493	1.827	646	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|H<1>,4|C<4>}	109.9990	2.104	2	109.5493	1.827	646	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|I<1>,2|C<4>,2|H<1>}	109.5938	1.390	6	109.5493	1.827	646	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	109.6521	1.427	14	109.5493	1.827	646	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	109.5631	1.286	233	109.5493	1.827	646	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){2|C<4>,3|H<1>}	109.7549	1.622	12	109.5493	1.827	646	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC){2|H<1>,3|C<4>}	109.0214	1.444	8	109.5493	1.827	646	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]O[6]C)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,1|O<2>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]O[6]C)(C[5]O[5]CC){1|H<1>,2|C<4>}	109.3351	0.731	8	109.0709	0.928	10	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]O[6]C)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|H<1>,1|O<3>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]O[6]C)(C[5]O[5]CC){1|Pt<6>,1|H<1>,2|C<4>}	108.0140	1.349	2	109.0709	0.928	10	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>}	109.5390	0.532	2	109.6489	0.467	63	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CC){1|C<4>,1|H<1>,1|P<4>}	109.0670	0.477	2	109.6489	0.467	63	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]CC){1|H<1>,2|C<4>}	109.6723	0.691	59	109.6489	0.467	63	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5a,6]C[5,6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5a,6]C[5,6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	109.1165	0.691	4	109.2915	2.178	8	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5a,6]C[5,6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[5a,6]C[5,6]H)(C[5]O[5]CC){2|C<3>,2|C<4>}	109.4665	2.126	4	109.2915	2.178	8	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]O[5]CC)	C[5](O[5]C[5,6])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	109.0985	1.985	8	109.0985	3.940	8	109.5342	1.732	1104	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5,5,6])(O[5]C[5])(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5,5,6]HH)(C[5]O[5]CC)	C[5](O[5]C[5,5,6])(O[5]C[5])(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5,5,6]HH)(C[5]O[5]CC){2|C<4>}	110.1068	1.473	4	110.1068	2.169	4	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5,5]CH)(C[5]O[5]CC)	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5,5]CH)(C[5]O[5]CC){2|C<4>}	109.6093	1.842	4	109.6093	3.395	4	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2{1|H<1>,3|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5,5]C[5]H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<4>}	110.1810	2.012	4	110.1810	4.047	4	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5,5]HH)(C[5]O[5]CC)	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5,5]HH)(C[5]O[5]CC){1|C<3>,1|C<4>}	109.8607	2.036	7	109.7315	3.245	15	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5,5]HH)(C[5]O[5]CC)	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5,5]HH)(C[5]O[5]CC){1|C<4>,1|O<2>}	109.2060	1.744	4	109.7315	3.245	15	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5,5]HH)(C[5]O[5]CC)	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2{2|C<3>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5,5]HH)(C[5]O[5]CC){2|C<3>}	110.2150	2.292	2	109.7315	3.245	15	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5,5]HH)(C[5]O[5]CC)	C[5](O[5]C[5,5])(O[5]C[5])(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5,5]HH)(C[5]O[5]CC){2|C<4>}	109.8470	2.111	2	109.7315	3.245	15	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5,6]CH)(C[5]O[5]CC)	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2{1|H<1>,3|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5,6]CH)(C[5]O[5]CC){2|C<4>}	109.7215	1.667	2	109.7215	2.778	2	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5,6]HH)(C[5]O[5]CC)	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2{1|C<3>,1|O<2>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5,6]HH)(C[5]O[5]CC){1|C<3>,1|O<2>}	110.1912	1.630	4	110.0706	1.757	16	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5,6]HH)(C[5]O[5]CC)	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5,6]HH)(C[5]O[5]CC){1|C<4>,1|O<2>}	109.9805	1.262	2	110.0706	1.757	16	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5,6]HH)(C[5]O[5]CC)	C[5](O[5]C[5,6])(O[5]C[5])(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5,6]HH)(C[5]O[5]CC){2|C<4>}	110.0404	1.363	10	110.0706	1.757	16	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CCHH)(CH3)	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](O[5]C[5])2(CCHH)(CH3){4|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]HH)(C[5]O[5]CC){2|H<1>}	109.4056	1.589	14	109.4056	2.525	14	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CC[4]CC)(CH3)	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](O[5]C[5])2(CC[4]CC)(CH3){4|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]HH)(C[5]O[5]CC){2|H<1>}	108.2040	0.182	2	108.2040	0.033	2	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CC[6]HH)(CH3)	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](O[5]C[5])2(CC[6]HH)(CH3){4|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]HH)(C[5]O[5]CC){2|H<1>}	109.0872	0.720	4	109.0872	0.519	4	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[3]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[3]C[5]H)(C[5]O[5]CC){2|C<4>,3|H<1>}	109.8035	0.858	8	109.7881	1.054	10	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[3]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[3]C[5]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	109.7265	2.078	2	109.7881	1.054	10	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[4]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[4]C[5]H)(C[5]O[5]CC){1|C<3>,1|C<4>,3|H<1>}	109.3055	0.538	4	109.3193	0.593	18	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[4]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[4]C[5]H)(C[5]O[5]CC){1|C<4>,1|N<3>,3|H<1>}	109.3227	0.855	10	109.3193	0.593	18	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[4]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[4]C[5]H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	109.3247	0.935	4	109.3193	0.593	18	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5,6]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5,6]C[5]H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	109.2955	0.643	2	109.2955	0.413	2	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]2C)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]2C)(C[5]O[5]CC){1|C<3>,1|H<1>,2|C<4>}	109.1545	0.251	2	109.2329	0.399	10	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]2C)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]2C)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	109.2525	0.708	8	109.2329	0.399	10	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2{1|C<2>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<2>,1|C<4>,1|O<2>,2|H<1>}	109.2325	0.551	2	109.3481	1.412	218	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	109.4225	0.901	4	109.3481	1.412	218	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	109.2045	1.537	2	109.3481	1.412	218	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	109.4015	0.011	2	109.3481	1.412	218	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<3>,1|O<2>,3|H<1>}	109.3978	1.579	4	109.3481	1.412	218	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<4>,1|N<3>,3|H<1>}	109.4757	1.047	12	109.3481	1.412	218	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	109.3303	1.111	142	109.3481	1.412	218	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|O<2>,1|S<2>,3|H<1>}	108.9755	0.261	2	109.3481	1.412	218	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]2H)(C[5]O[5]CC){2|C<4>,3|H<1>}	109.2135	1.198	4	109.3481	1.412	218	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2{2|C<3>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	108.8240	0.250	2	109.3481	1.412	218	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|N<3>,2|C<4>,2|H<1>}	108.4472	1.737	8	109.3481	1.412	218	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]2H)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]2H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	109.6554	1.468	34	109.3481	1.412	218	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]CC)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]CC)(C[5]O[5]CC){1|C<4>,1|H<1>}	108.9870	1.150	2	109.1259	0.620	8	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]CC)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2{1|H<1>,3|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]CC)(C[5]O[5]CC){1|C<4>,1|H<1>}	109.7045	0.193	2	109.1259	0.620	8	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]CC)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]CC)(C[5]O[5]CC){2|H<1>}	108.9060	0.833	4	109.1259	0.620	8	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2{1|C<2>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<2>,1|H<1>}	109.8528	1.226	4	109.4765	1.718	583	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2{1|C<2>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	109.6880	1.869	5	109.4765	1.718	583	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<3>,1|H<1>}	109.5539	1.273	22	109.4765	1.718	583	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	109.7691	1.407	24	109.4765	1.718	583	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<3>,1|C<4>}	110.2142	2.359	4	109.4765	1.718	583	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2{1|C<3>,3|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	109.3675	0.936	8	109.4765	1.718	583	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2{1|C<4>,1|N<3>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|H<1>,1|N<3>}	110.2283	2.012	12	109.4765	1.718	583	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	109.2808	1.055	93	109.4765	1.718	583	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2{1|H<1>,3|C<4>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|C<4>}	109.4800	2.831	2	109.4765	1.718	583	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2{2|C<2>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<2>,1|H<1>}	109.5915	1.860	2	109.4765	1.718	583	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2{2|C<3>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<3>,1|H<1>}	109.6801	1.182	8	109.4765	1.718	583	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	109.4613	1.321	399	109.4765	1.718	583	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2{1|C<3>,3|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC){1|C<3>,1|C<4>,2|H<1>}	109.7125	0.830	8	109.3959	1.390	34	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC){1|C<3>,1|N<3>,3|H<1>}	109.8570	1.936	2	109.3959	1.390	34	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC){1|C<4>,1|N<3>,3|H<1>}	108.9535	1.761	4	109.3959	1.390	34	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	109.4421	0.953	8	109.3959	1.390	34	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC){2|C<4>,3|H<1>}	109.1658	1.596	4	109.3959	1.390	34	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC){2|O<2>,3|H<1>}	109.0175	0.870	4	109.3959	1.390	34	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC){1|O<2>,2|C<4>,2|H<1>}	108.8455	1.365	2	109.3959	1.390	34	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]C[6]H)(C[5]O[5]CC){2|H<1>,3|C<4>}	110.1355	2.317	2	109.3959	1.390	34	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]HH)(C[5]O[5]CC){1|C<3>,1|C<4>}	109.8385	1.520	2	109.8033	3.931	338	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2{1|C<3>,3|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]HH)(C[5]O[5]CC){1|C<3>,1|H<1>}	109.9249	1.426	16	109.8033	3.931	338	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2{1|C<4>,3|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]HH)(C[5]O[5]CC){1|C<4>,1|H<1>}	109.7946	2.023	308	109.8033	3.931	338	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]HH)(C[5]O[5]CC){2|C<4>}	109.8571	1.786	12	109.8033	3.931	338	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[6a]C[5]C[6])(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[6a]C[5]C[6])(C[5]O[5]CC){1|C<4>,3|C<3>,3|H<1>}	109.6775	0.957	2	109.6775	0.915	2	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[6a]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[6a]C[5]H)(C[5]O[5]CC){1|C<4>,1|H<1>,2|C<3>}	109.8200	1.677	4	109.6928	3.069	6	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[6a]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2{2|C<3>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[6a]C[5]H)(C[5]O[5]CC){1|H<1>,3|C<3>}	109.4385	2.592	2	109.6928	3.069	6	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]N[5a]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2{1|C<4>,1|N<3>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]N[5a]C[5]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	108.7262	0.754	4	108.7262	0.568	4	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:1:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]N[6a]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5])2(CH3)2{1|C<4>,1|N<3>,2|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]N[6a]C[5]H)(C[5]O[5]CC){1|C<4>,1|H<1>,2|C<3>}	109.4394	1.332	8	109.4394	1.775	8	109.5434	2.243	1306	109.5587	1.768	3939	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:3:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CHHN)2	C(C[5]O[5]2C)(NCC)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](O[5]C[5])2(CHHN)2{4|H<1>}	C(C[5]O[5]2C)(NCC)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CC){2|H<1>}	108.7255	3.406	8	108.7255	11.598	8	108.7255	11.598	8	108.7255	11.598	8	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:4:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CCHH)2	C(C[5]O[5]2C)(CH3)(H)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CCHH)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(CH3)(H)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	108.8418	2.420	6	108.9256	4.090	12	108.9256	4.090	12	109.2702	1.912	50	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:4:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])2(CCHH)2	C(C[5]O[5]2C)(CH3)(H)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC)	C[5](O[5]C[5,5])2(CCHH)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]O[5]2C)(CH3)(H)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]CC){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	109.0093	1.768	6	108.9256	4.090	12	108.9256	4.090	12	109.2702	1.912	50	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:4:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CCHH)(CH3)	C(C[5]O[5]2C)(CC[3]HO)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](O[5]C[5])2(CCHH)(CH3){4|H<1>}	C(C[5]O[5]2C)(CC[3]HO)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CC){2|H<1>}	109.5800	2.961	2	109.5800	8.770	2	109.3791	1.265	38	109.2702	1.912	50	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:4:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CCHH)(CH3)	C(C[5]O[5]2C)(CC[6]HH)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](O[5]C[5])2(CCHH)(CH3){4|H<1>}	C(C[5]O[5]2C)(CC[6]HH)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CC){2|H<1>}	109.2398	1.230	6	109.2398	1.514	6	109.3791	1.265	38	109.2702	1.912	50	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:4:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CCHH)(CH3)	C(C[5]O[5]2C)(CC[6a]2O)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](O[5]C[5])2(CCHH)(CH3){4|H<1>}	C(C[5]O[5]2C)(CC[6a]2O)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CC){2|H<1>}	109.0865	1.322	2	109.0865	1.747	2	109.3791	1.265	38	109.2702	1.912	50	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:4:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CCHH)(CH3)	C(C[5]O[5]2C)(CC[6a]CH)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](O[5]C[5])2(CCHH)(CH3){4|H<1>}	C(C[5]O[5]2C)(CC[6a]CH)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CC){2|H<1>}	109.5470	1.241	4	109.5470	1.541	4	109.3791	1.265	38	109.2702	1.912	50	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:4:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CCHH)2	C(C[5]O[5]2C)(CCHH)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](O[5]C[5])2(CCHH)2{4|H<1>}	C(C[5]O[5]2C)(CCHH)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CC){2|H<1>}	109.3924	0.485	8	109.3924	0.235	8	109.3791	1.265	38	109.2702	1.912	50	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:4:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CCHH)2	C(C[5]O[5]2C)(CCHO)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](O[5]C[5])2(CCHH)2{4|H<1>}	C(C[5]O[5]2C)(CCHO)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CC){2|H<1>}	109.8720	0.844	2	109.8720	0.713	2	109.3791	1.265	38	109.2702	1.912	50	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:4:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CCHH)2	C(C[5]O[5]2C)(CC[5]HH)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](O[5]C[5])2(CCHH)2{4|H<1>}	C(C[5]O[5]2C)(CC[5]HH)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CC){2|H<1>}	109.4275	0.064	2	109.4275	0.004	2	109.3791	1.265	38	109.2702	1.912	50	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:4:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CCHH)2	C(C[5]O[5]2C)(CH3)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](O[5]C[5])2(CCHH)2{1|C<4>,3|H<1>}	C(C[5]O[5]2C)(CH3)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	108.8883	1.134	6	108.8883	1.286	6	109.3791	1.265	38	109.2702	1.912	50	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:4:1:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CCHH)2	C(C[5]O[5]2C)(CH3)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](O[5]C[5])2(CCHH)2{1|C<4>,3|H<1>}	C(C[5]O[5]2C)(CH3)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CC){1|C<4>,1|H<1>}	109.7293	1.559	6	109.7293	2.431	6	109.3791	1.265	38	109.2702	1.912	50	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:4:2:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CCHO)(CFFH)	C(C[5]O[5]2C)(CCHH)(OH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](O[5]C[5])2(CCHO)(CFFH){1|H<1>,1|O<2>,2|C<4>}	C(C[5]O[5]2C)(CCHH)(OH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|O<2>}	108.0760	0.000	1	108.0760	0.000	1	109.4245	3.637	2	109.4245	3.637	2	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:4:2:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CCHO)(CFFH)	C(C[5]O[5]2C)(CCHH)(OH)(H)	O[5](C[5]C[5]CO)(C[5]O[5]CC)	C[5](O[5]C[5])2(CCHO)(CFFH){1|H<1>,1|O<2>,2|C<4>}	C(C[5]O[5]2C)(CCHH)(OH)(H)	O[5](C[5]C[5]CO)(C[5]O[5]CC){1|C<4>,1|H<1>}	110.7730	0.000	1	110.7730	0.000	1	109.4245	3.637	2	109.4245	3.637	2	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:4:4:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CCCH)2	C(C[5]O[5]2C)(CC[5a]HH)2(H)	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](O[5]C[5])2(CCCH)2{4|H<1>}	C(C[5]O[5]2C)(CC[5a]HH)2(H)	O[5](C[5]C[5]HH)(C[5]O[5]CC){2|H<1>}	107.9470	1.179	4	107.9470	1.390	4	108.9243	2.032	15	108.9243	2.032	15	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:4:4:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CCCH)2	C(C[5]O[5]2C)(CC[6a]HH)2(H)	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](O[5]C[5])2(CCCH)2{4|H<1>}	C(C[5]O[5]2C)(CC[6a]HH)2(H)	O[5](C[5]C[5]HH)(C[5]O[5]CC){2|H<1>}	108.7482	1.142	4	108.7482	1.305	4	108.9243	2.032	15	108.9243	2.032	15	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:4:4:1:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CCCH)2	C(C[5]O[5]2C)(CH3)2(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](O[5]C[5])2(CCCH)2{2|C<4>,2|H<1>}	C(C[5]O[5]2C)(CH3)2(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	109.5833	1.493	7	109.5833	2.230	7	108.9243	2.032	15	108.9243	2.032	15	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:2:4:4:	4:4:4:4:	4:4:	O[5]-2:O[5]-2:C-4:C-4:	C[4]-4:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:	C[5](O[5]C[5])2(CC[4]CC)(CH3)	C(C[4]C[4,6a]C[4]O)(C[5]O[5]2C)(CH3)2	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](O[5]C[5])2(CC[4]CC)(CH3){4|H<1>}	C(C[4]C[4,6a]C[4]O)(C[5]O[5]2C)(CH3)2	O[5](C[5]C[5]HH)(C[5]O[5]CC){2|H<1>}	110.5265	0.209	2	110.5265	0.044	2	110.5265	0.044	2	110.5265	0.044	2	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:3:4:1:	4:1:1:1:	4:4:	O[5]-2:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	B[5,5]-4:C[5]-4:	C[5](O[5]B[5,5])(C[5]O[5]O)(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](B[5,5]O[5]3)(C[5]C[5]CH)	C[5](O[5]B[5,5])(C[5]O[5]O)(CH3)(H){2|O<2>}	C(C[5]C[5]O[5]H)(H)3	O[5](B[5,5]O[5]3)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>}	111.5280	0.489	3	111.5280	0.239	3	111.5280	0.239	3	111.1343	0.779	4	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:3:4:1:	4:1:1:1:	4:4:	O[5]-2:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]CH)	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)(H){1|O<2>,2|C<4>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]CH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	109.9530	0.000	1	109.9530	0.000	1	109.9530	0.000	1	111.1343	0.779	4	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:3:4:1:	4:1:1:1:	6:4:	O[5]-2:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	In[5,5,6,6]-6:C[5]-4:	C[5](O[5]In[5,5,6,6])(C[5]O[5]O)(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](In[5,5,6,6]N[5,6]2O[5]O[6]2)(C[5]C[5]CH)	C[5](O[5]In[5,5,6,6])(C[5]O[5]O)(CH3)(H){2|N<3>,2|O<2>}	C(C[5]C[5]O[5]H)(H)3	O[5](In[5,5,6,6]N[5,6]2O[5]O[6]2)(C[5]C[5]CH){1|O<2>,2|C<3>,2|C<4>,2|P<4>}	112.8620	0.000	1	112.8620	0.000	1	112.8620	0.000	1	112.8620	0.000	1	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:3:4:1:	4:2:4:1:	4:4:	O[5]-2:C[5]-3:C-4:H-1:	C[5]-4:S-2:C-4:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])(C[5]C[5]O)(CCHS)(H)	C(C[5]C[5]O[5]H)(SC[6a])(CCHH)(H)	O[5](C[5,5]C[5]3)(C[5]C[5]CH)	C[5](O[5]C[5,5])(C[5]C[5]O)(CCHS)(H){2|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(SC[6a])(CCHH)(H)	O[5](C[5,5]C[5]3)(C[5]C[5]CH){1|O<1>,3|C<4>,5|H<1>}	113.8690	0.000	1	113.8690	0.000	1	113.8690	0.000	1	113.8690	0.000	1	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:3:4:1:	4:3:1:1:	4:4:	O[5]-2:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	B[5,5]-4:C[5]-4:	C[5](O[5]B[5,5])(C[5]O[5]O)(CCHH)(H)	C(C[5]C[5]O[5]H)(COO)(H)2	O[5](B[5,5]O[5]3)(C[5]C[5]CH)	C[5](O[5]B[5,5])(C[5]O[5]O)(CCHH)(H){2|O<2>}	C(C[5]C[5]O[5]H)(COO)(H)2	O[5](B[5,5]O[5]3)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>}	112.8250	0.769	2	112.8250	0.592	2	112.8250	0.592	2	111.7538	2.155	5	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:3:4:1:	4:3:1:1:	4:4:	O[5]-2:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])(C[5]O[5]O)(CCHH)(H)	C(C[5]C[5]O[5]H)(COO)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)	C[5](O[5]C[5,6])(C[5]O[5]O)(CCHH)(H){2|C<4>}	C(C[5]C[5]O[5]H)(COO)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH){1|O<1>,2|C<4>,4|H<1>}	109.3670	0.000	1	109.3670	0.000	1	109.3670	0.000	1	111.7538	2.155	5	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:3:4:1:	4:3:1:1:	4:4:	O[5]-2:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	B[5,5]-4:C[5]-4:	C[5](O[5]B[5,5])(C[5]O[5]O)(CC[6a]HH)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	O[5](B[5,5]O[5]3)(C[5]C[5]CH)	C[5](O[5]B[5,5])(C[5]O[5]O)(CC[6a]HH)(H){2|O<2>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	O[5](B[5,5]O[5]3)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>}	111.8760	0.083	2	111.8760	0.007	2	111.8760	0.007	2	111.7538	2.155	5	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:3:4:1:	4:3:2:1:	4:4:	O[5]-2:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])(C[5]C[5]H)(CC[6a]HO)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	O[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)	C[5](O[5]C[5,5])(C[5]C[5]H)(CC[6a]HO)(H){1|C<4>,1|H<1>,1|N<3>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	O[5](C[5,5]C[5]2N[5])(C[5]C[5]CH){1|C<4>,2|C<3>,4|H<1>}	109.8740	0.086	2	109.8740	0.007	2	109.8740	0.007	2	108.8584	0.583	7	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:3:4:1:	4:3:2:1:	4:4:	O[5]-2:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])(C[5]C[5]H)(CC[6a]HO)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	O[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]CH)	C[5](O[5]C[5,6])(C[5]C[5]H)(CC[6a]HO)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	O[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]CH){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	108.4522	0.389	5	108.4522	0.151	5	108.4522	0.151	5	108.8584	0.583	7	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:3:4:2:	4:2:1:1:	4:4:	O[5]-2:C[5]-3:C-4:O-2:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])(C[5]C[5]H)(CHHO)(OH)	C(C[5]C[5]O[5]O)(OH)(H)2	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CO)	C[5](O[5]C[5,5])(C[5]C[5]H)(CHHO)(OH){1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[5]O[5]O)(OH)(H)2	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CO){1|C<3>,2|C<4>,3|H<1>}	109.4990	0.000	1	109.4990	0.000	1	109.4990	0.000	1	109.4990	0.000	1	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:3:4:3:	4:3:2:1:	4:4:	O[5]-2:C[5]-3:C-4:C-3:	C[5]-4:C[6a]-3:O-2:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])(C[5]C[5]O)(CC[6a]HO)(COO)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(OC[6])(H)	O[5](C[5,5]C[5]3)(C[5]C[5]CC)	C[5](O[5]C[5,5])(C[5]C[5]O)(CC[6a]HO)(COO){2|C<4>,2|H<1>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(OC[6])(H)	O[5](C[5,5]C[5]3)(C[5]C[5]CC){1|O<1>,3|C<4>,5|H<1>}	110.5720	0.000	1	110.5720	0.000	1	110.5720	0.000	1	110.5720	0.000	1	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:3:4:4:	3:4:1:1:	4:4:	O[5]-2:C[5]-3:C-4:P-4:	C[5]-3:C[5]-4:H-1:H-1:	B[5,5]-4:C[5]-4:	C[5](O[5]B[5,5])(C[5]O[5]O)(CC[5]HH)(PO3)	C(C[5]N[5,6a]C[5])(C[5]C[5]O[5]P)(H)2	O[5](B[5,5]O[5]3)(C[5]C[5]CP)	C[5](O[5]B[5,5])(C[5]O[5]O)(CC[5]HH)(PO3){2|O<2>}	C(C[5]N[5,6a]C[5])(C[5]C[5]O[5]P)(H)2	O[5](B[5,5]O[5]3)(C[5]C[5]CP){1|C<3>,1|C<4>,1|O<1>}	110.5640	0.000	1	110.5640	0.000	1	110.5640	0.000	1	110.5640	0.000	1	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:3:4:4:	4:1:1:1:	4:4:	O[5]-2:C[5]-3:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	Ge[5,6]-4:C[5]-4:	C[5](O[5]Ge[5,6])(C[5]P[5]H)(CF3)2	C(C[5]C[5]O[5]C)(F)3	O[5](Ge[5,6]N[6]O[6]P[5])(C[5]C[5]CC)	C[5](O[5]Ge[5,6])(C[5]P[5]H)(CF3)2{1|C<4>,1|N<2>,1|O<2>}	C(C[5]C[5]O[5]C)(F)3	O[5](Ge[5,6]N[6]O[6]P[5])(C[5]C[5]CC){1|H<1>,1|P<4>,2|C<4>}	107.3270	0.926	2	107.3270	0.858	2	107.3270	0.858	2	108.9066	0.986	22	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:3:4:4:	4:1:1:1:	4:4:	O[5]-2:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5,5]-4:C[5]-4:	C[5](O[5]B[5,5])(C[5]O[5]O)(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5,5]O[5]3)(C[5]C[5]CC)	C[5](O[5]B[5,5])(C[5]O[5]O)(CH3)2{2|O<2>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5,5]O[5]3)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>}	110.0245	0.590	2	110.0245	0.349	2	110.0245	0.349	2	108.9066	0.986	22	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:3:4:4:	4:1:1:1:	4:4:	O[5]-2:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:	C[5](O[5]C[5,5,6])(C[5]C[5]H)(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]CC)	C[5](O[5]C[5,5,6])(C[5]C[5]H)(CH3)2{1|H<1>,2|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5]CC){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	108.7740	0.148	2	108.7740	0.022	2	108.7740	0.022	2	108.9066	0.986	22	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:3:4:4:	4:1:1:1:	4:4:	O[5]-2:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])(C[5]C[5]O)(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CC)	C[5](O[5]C[5,5])(C[5]C[5]O)(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CC){1|Br<1>,1|O<1>,2|C<3>,3|H<1>}	109.3020	1.241	4	109.3020	1.541	4	109.0741	0.772	14	108.9066	0.986	22	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:3:4:4:	4:1:1:1:	4:4:	O[5]-2:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,5]C[5,6a]C[3,5]N[5])(C[5]C[5]CC)	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)2{1|C<3>,1|C<4>,1|O<2>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,5]C[5,6a]C[3,5]N[5])(C[5]C[5]CC){1|C<4>,1|O<1>,2|C<3>,3|O<2>}	109.0145	1.135	4	109.0145	1.288	4	109.0741	0.772	14	108.9066	0.986	22	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:3:4:4:	4:1:1:1:	4:4:	O[5]-2:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CC)	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)2{1|C<3>,1|C<4>,1|O<2>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CC){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	108.8535	0.448	2	108.9078	0.142	4	109.0741	0.772	14	108.9066	0.986	22	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:3:4:4:	4:1:1:1:	4:4:	O[5]-2:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CC)	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)2{1|O<2>,2|C<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CC){1|O<1>,2|O<2>,3|C<3>}	108.9620	0.464	2	108.9078	0.142	4	109.0741	0.772	14	108.9066	0.986	22	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:3:4:4:	4:1:1:1:	4:4:	O[5]-2:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,5]C[5]N[5]2)(C[5]C[5]CC)	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)2{1|C<3>,1|N<3>,1|O<2>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,5]C[5]N[5]2)(C[5]C[5]CC){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	109.0705	0.889	2	109.0705	0.790	2	109.0741	0.772	14	108.9066	0.986	22	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:3:4:4:	4:1:1:1:	4:4:	O[5]-2:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])(C[5]C[5]I)(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,6]C[6,6a]C[5]O[6])(C[5]C[5]CC)	C[5](O[5]C[5,6])(C[5]C[5]I)(CH3)2{1|C<3>,1|I<1>,1|O<2>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,6]C[6,6a]C[5]O[6])(C[5]C[5]CC){2|I<1>,3|C<3>}	108.3280	0.928	2	108.3280	0.861	2	108.3280	0.861	2	108.9066	0.986	22	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:3:4:4:	4:1:1:1:	5:4:	O[5]-2:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	P[5,5]-5:C[5]-4:	C[5](O[5]P[5,5])(C[5]O[5]O)(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](P[5,5]O[5]3Ni)(C[5]C[5]CC)	C[5](O[5]P[5,5])(C[5]O[5]O)(CH3)2{1|Ni<4>,2|O<2>}	C(C[5]C[5]O[5]C)(H)3	O[5](P[5,5]O[5]3Ni)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>}	108.6887	0.463	4	108.6887	0.215	4	108.6887	0.215	4	108.6887	0.215	4	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:3:4:4:	4:3:1:1:	4:4:	O[5]-2:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	B[5,5]-4:C[5]-4:	C[5](O[5]B[5,5])(C[5]O[5]O)(CCHH)2	C(C[5]C[5]O[5]C)(COO)(H)2	O[5](B[5,5]O[5]3)(C[5]C[5]CC)	C[5](O[5]B[5,5])(C[5]O[5]O)(CCHH)2{2|O<2>}	C(C[5]C[5]O[5]C)(COO)(H)2	O[5](B[5,5]O[5]3)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>}	111.2120	0.995	4	111.2120	0.990	4	111.2120	0.990	4	111.2120	0.990	4	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:4:3:4:	4:4:1:1:	4:4:	O[5]-2:C-4:C[5]-3:C-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])(CC[5,5]HH)(C[5]C[5]C)(CCHH)	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]O[5]C)(H)2	O[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]CC)	C[5](O[5]C[5,6])(CC[5,5]HH)(C[5]C[5]C)(CCHH){1|C<4>,1|O<1>,1|O<2>}	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]O[5]C)(H)2	O[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]CC){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	107.7300	0.000	1	107.7300	0.000	1	107.7300	0.000	1	107.0080	1.043	2	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:4:3:4:	4:4:1:1:	4:4:	O[5]-2:C-4:C[5]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](O[5]C[5,6])(CC[5,5]HH)(C[5]C[5]C)(CCHH)	C(C[5]C[5]O[5]C)(CC[5]HH)(H)2	O[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]CC)	C[5](O[5]C[5,6])(CC[5,5]HH)(C[5]C[5]C)(CCHH){1|C<4>,1|O<1>,1|O<2>}	C(C[5]C[5]O[5]C)(CC[5]HH)(H)2	O[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]CC){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	106.2860	0.000	1	106.2860	0.000	1	106.2860	0.000	1	107.0080	1.043	2	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:4:4:1:	4:1:1:1:	4:4:	O[5]-2:C[5]-4:C-4:H-1:	C[5]-4:Cl-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(CClHH)(H)	C(C[5]C[5]O[5]H)(Cl)(H)2	O[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]CH)	C[5](O[5]C[5,5,6])(C[5]O[5]HH)(CClHH)(H){1|C<3>,1|C<4>}	C(C[5]C[5]O[5]H)(Cl)(H)2	O[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]CH){1|O<1>,3|C<4>,3|H<1>}	107.4460	0.547	3	107.4460	0.300	3	107.4460	0.300	3	107.4460	0.300	3	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:4:4:1:	4:1:1:1:	5:4:	O[5]-2:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	P[3x5,6]-5:C[5]-4:	C[5](O[5]P[3x5,6])(C[5]O[5]CH)(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](P[3x5,6]C[5,6]O[5,5]O[5,6]O[5])(C[5]C[5]CH)	C[5](O[5]P[3x5,6])(C[5]O[5]CH)(CH3)(H){1|C<4>,2|O<2>}	C(C[5]C[5]O[5]H)(H)3	O[5](P[3x5,6]C[5,6]O[5,5]O[5,6]O[5])(C[5]C[5]CH){1|H<1>,1|O<2>,5|C<4>}	108.7990	0.820	2	108.7990	0.673	2	108.7990	0.673	2	108.7990	0.673	2	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:4:4:4:	4:1:1:1:	4:4:	O[5]-2:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5,5a]-4:C[5]-4:	C[5](O[5]B[5,5a])(C[5]O[5]CC)(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5,5a]C[5a,6a]N[5a,6]O[5])(C[5]C[5]CC)	C[5](O[5]B[5,5a])(C[5]O[5]CC)(CH3)2{1|C<3>,1|N<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5,5a]C[5a,6a]N[5a,6]O[5])(C[5]C[5]CC){1|N<3>,2|C<4>,3|C<3>}	108.1826	0.271	8	108.1826	0.074	8	108.1803	0.680	16	108.1803	0.680	16	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:4:4:4:	4:1:1:1:	4:4:	O[5]-2:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5,5a]-4:C[5]-4:	C[5](O[5]B[5,5a])(C[5]O[5]CC)(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5,5a]N[5a,6a]N[5a]O[5])(C[5]C[5]CC)	C[5](O[5]B[5,5a])(C[5]O[5]CC)(CH3)2{1|N<3>,1|N<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5,5a]N[5a,6a]N[5a]O[5])(C[5]C[5]CC){1|H<1>,2|C<4>,4|C<3>}	108.0232	0.590	4	108.1780	1.384	8	108.1803	0.680	16	108.1803	0.680	16	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:4:4:4:	4:1:1:1:	4:4:	O[5]-2:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5,5a]-4:C[5]-4:	C[5](O[5]B[5,5a])(C[5]O[5]CC)(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5,5a]N[5a,6a]N[5a]O[5])(C[5]C[5]CC)	C[5](O[5]B[5,5a])(C[5]O[5]CC)(CH3)2{2|N<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5,5a]N[5a,6a]N[5a]O[5])(C[5]C[5]CC){2|C<4>,4|C<3>}	108.3328	1.679	4	108.1780	1.384	8	108.1803	0.680	16	108.1803	0.680	16	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:4:4:4:	4:1:1:1:	5:4:	O[5]-2:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	P[3x5,6]-5:C[5]-4:	C[5](O[5]P[3x5,6])(C[5]O[5]CC)(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](P[3x5,6]C[5,6]O[5,5]O[5,6]O[5])(C[5]C[5]CC)	C[5](O[5]P[3x5,6])(C[5]O[5]CC)(CH3)2{1|C<4>,2|O<2>}	C(C[5]C[5]O[5]C)(H)3	O[5](P[3x5,6]C[5,6]O[5,5]O[5,6]O[5])(C[5]C[5]CC){1|O<2>,6|C<4>}	106.3670	0.952	4	106.3670	0.907	4	106.5337	2.454	8	106.5337	2.454	8	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	2:4:4:4:	4:1:1:1:	5:4:	O[5]-2:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	P[3x5,6]-5:C[5]-4:	C[5](O[5]P[3x5,6])(C[5]O[5]CC)(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](P[3x5,6]O[5,5]O[5,6]2O[5])(C[5]C[5]CC)	C[5](O[5]P[3x5,6])(C[5]O[5]CC)(CH3)2{3|O<2>}	C(C[5]C[5]O[5]C)(H)3	O[5](P[3x5,6]O[5,5]O[5,6]2O[5])(C[5]C[5]CC){5|C<4>}	106.7005	2.178	4	106.7005	4.745	4	106.5337	2.454	8	106.5337	2.454	8	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:2:4:	4:1:1:1:	4:2:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:O[5]-2:	C[5](C[6a]C[6a]2)(O[5]C[5,6])(O[5]O[5])(CF3)	C(C[5]C[6a]O[5]2)(F)3	O[5](C[5]C[6a]O[5]C)(O[5]C[5,6])	C[5](C[6a]C[6a]2)(O[5]C[5,6])(O[5]O[5])(CF3){2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[6a]O[5]2)(F)3	O[5](C[5]C[6a]O[5]C)(O[5]C[5,6]){2|C<3>,2|C<4>}	109.0130	0.000	1	109.0130	0.000	1	109.0130	0.000	1	109.0130	0.000	1	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:2:4:	4:1:1:1:	4:4:	C[5]-3:O[5]-2:S-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]O)(O[5]C[5])(SC[6a])(CH3)	C(C[5]C[5]O[5]S)(H)3	O[5](C[5]C[5]CS)(C[5]O[5]CH)	C[5](C[5]O[5]O)(O[5]C[5])(SC[6a])(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]O[5]S)(H)3	O[5](C[5]C[5]CS)(C[5]O[5]CH){1|O<1>}	111.8260	0.000	1	111.8260	0.000	1	111.8260	0.000	1	108.8679	2.446	20	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:2:4:	4:1:1:1:	4:4:	C[6a]-3:N[5]-2:O[5]-2:C-4:	C[5]-4:F-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])(CFHH)	C(C[5]C[6a]N[5]O[5])(F)(H)2	O[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])(CFHH){1|C<4>,2|C<3>,4|H<1>}	C(C[5]C[6a]N[5]O[5])(F)(H)2	O[5](C[5]C[6a]N[5]C)(C[5]C[5]HH){1|C<4>,2|C<3>}	108.5470	0.000	1	108.5470	0.000	1	108.5470	0.000	1	108.8679	2.446	20	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:2:4:	4:1:1:1:	4:4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[5]-4:Br-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(CBrHH)	C(C[5]C[6a]O[5]2)(Br)(H)2	O[5](C[5]C[6a]O[5]C)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CBrHH){1|C<4>,2|C<3>,5|H<1>}	C(C[5]C[6a]O[5]2)(Br)(H)2	O[5](C[5]C[6a]O[5]C)(C[5]C[5]CH){2|C<3>,2|H<1>}	109.8813	1.032	3	109.8813	1.064	3	110.0072	0.514	6	108.8679	2.446	20	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:2:4:	4:1:1:1:	4:4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[5]-4:Br-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(CBrHH)	C(C[5]C[6a]O[5]2)(Br)(H)2	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CBrHH){1|C<4>,2|C<3>,5|H<1>}	C(C[5]C[6a]O[5]2)(Br)(H)2	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH){1|C<4>,1|H<1>,2|C<3>}	110.1330	0.416	3	110.1330	0.173	3	110.0072	0.514	6	108.8679	2.446	20	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:2:4:	4:1:1:1:	4:4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[5]-4:F-1:F-1:F-1:	C[5,6]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,6])(O[5]O[5])(CF3)	C(C[5]C[6a]O[5]2)(F)3	O[5](C[5,6]C[6]2O[5])(C[5]C[6a]O[5]C)	C[5](C[6a]C[6a]2)(O[5]C[5,6])(O[5]O[5])(CF3){2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[6a]O[5]2)(F)3	O[5](C[5,6]C[6]2O[5])(C[5]C[6a]O[5]C){2|C<3>,2|C<4>,4|H<1>}	107.7010	0.000	1	107.7010	0.000	1	106.9560	1.676	3	108.8679	2.446	20	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:2:4:	4:1:1:1:	4:4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[5]-4:F-1:F-1:F-1:	C[5,6]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(CF3)	C(C[5]C[6a]O[5]2)(F)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]O[5]C)	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(CF3){2|C<4>,3|C<3>,3|H<1>}	C(C[5]C[6a]O[5]2)(F)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]O[5]C){1|C<4>,2|H<1>,3|C<3>}	105.4610	0.000	1	105.4610	0.000	1	106.9560	1.676	3	108.8679	2.446	20	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:2:4:	4:1:1:1:	4:4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[5]-4:F-1:F-1:F-1:	C[5,6]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(CF3)	C(C[5]C[6a]O[5]2)(F)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]C)	C[5](C[6a]C[6a]2)(O[5]C[5,6])2(CF3){2|C<4>,3|C<3>,3|H<1>}	C(C[5]C[6a]O[5]2)(F)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]O[5]C){1|C<4>,2|H<1>,4|C<3>}	107.7060	0.000	1	107.7060	0.000	1	106.9560	1.676	3	108.8679	2.446	20	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:2:4:	4:1:1:1:	4:4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(CF3)	C(C[5]C[6a]O[5]2)(F)3	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5]C)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CF3){1|C<4>,2|H<1>,4|C<3>}	C(C[5]C[6a]O[5]2)(F)3	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5]C){5|C<3>}	107.5390	0.634	2	107.5390	0.401	2	107.1287	0.706	3	108.8679	2.446	20	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:2:4:	4:1:1:1:	4:4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(CF3)	C(C[5]C[6a]O[5]2)(F)3	O[5](C[5]C[6a]O[5]C)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CF3){2|C<4>,2|H<1>,3|C<3>}	C(C[5]C[6a]O[5]2)(F)3	O[5](C[5]C[6a]O[5]C)(C[5]C[5]CC){3|C<3>}	106.3080	0.000	1	106.3080	0.000	1	107.1287	0.706	3	108.8679	2.446	20	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:2:4:	4:1:1:1:	4:4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[6a]C[4,6a]C[6a])(O[5]C[5])2(CH3)	C(C[5]C[6a]O[5]2)(H)3	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)	C[5](C[6a]C[4,6a]C[6a])(O[5]C[5])2(CH3){1|C<4>,2|C<3>,5|H<1>}	C(C[5]C[6a]O[5]2)(H)3	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH){2|C<3>,2|H<1>}	109.1175	0.353	2	109.1175	0.125	2	109.1147	0.420	6	108.8679	2.446	20	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:2:4:	4:1:1:1:	4:4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(CH3)	C(C[5]C[6a]O[5]2)(H)3	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CH3){1|O<2>,2|C<3>,5|H<1>}	C(C[5]C[6a]O[5]2)(H)3	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH){2|C<3>,2|H<1>}	109.1395	1.324	2	109.1132	0.658	4	109.1147	0.420	6	108.8679	2.446	20	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:2:4:	4:1:1:1:	4:4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(CH3)	C(C[5]C[6a]O[5]2)(H)3	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CH3){3|C<3>,5|H<1>}	C(C[5]C[6a]O[5]2)(H)3	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH){2|C<3>,2|H<1>}	109.0870	0.467	2	109.1132	0.658	4	109.1147	0.420	6	108.8679	2.446	20	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:2:4:	4:2:1:1:	4:4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(CHHO)	C(C[5]C[6a]O[5]2)(OH)(H)2	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CHHO){1|N<3>,2|C<3>,5|H<1>}	C(C[5]C[6a]O[5]2)(OH)(H)2	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH){2|C<3>,2|H<1>}	107.6805	1.493	2	107.6805	2.228	2	107.6805	2.228	2	107.6805	2.228	2	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:2:4:	4:3:1:1:	4:4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(CN[5]HH)	C(C[5]C[6a]O[5]2)(N[5]C[5]2)(H)2	O[5](C[5]C[6a]O[5]C)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CN[5]HH){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C(C[5]C[6a]O[5]2)(N[5]C[5]2)(H)2	O[5](C[5]C[6a]O[5]C)(C[5]C[5]CH){2|C<3>,2|H<1>}	108.8090	0.000	1	108.8090	0.000	1	109.3732	1.835	4	109.3732	1.835	4	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:2:4:	4:3:1:1:	4:4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(CN[5]HH)	C(C[5]C[6a]O[5]2)(N[5]C[5]2)(H)2	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CN[5]HH){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C(C[5]C[6a]O[5]2)(N[5]C[5]2)(H)2	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH){1|C<4>,1|H<1>,2|C<3>}	110.4250	0.000	1	110.4250	0.000	1	109.3732	1.835	4	109.3732	1.835	4	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:2:4:	4:3:1:1:	4:4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(CN[5]HH)	C(C[5]C[6a]O[5]2)(N[5]C[5]N[5])(H)2	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CN[5]HH){1|Cl<1>,2|C<3>,5|H<1>}	C(C[5]C[6a]O[5]2)(N[5]C[5]N[5])(H)2	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH){2|C<3>,2|H<1>}	109.1295	1.991	2	109.1295	3.962	2	109.3732	1.835	4	109.3732	1.835	4	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:2:4:	4:4:1:1:	4:4:	C[5,6a]-3:O[5]-2:O-2:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC[6])(CCHH)	C(C[5]C[5,6a]O[5]O)(CCHH)(H)2	O[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC[6])(CCHH){2|C<3>,3|H<1>}	C(C[5]C[5,6a]O[5]O)(CCHH)(H)2	O[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HH){2|C<3>}	107.0540	0.000	1	107.0540	0.000	1	107.0540	0.000	1	108.6042	3.312	6	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:2:4:	4:4:1:1:	4:4:	C[5a]-3:O[5]-2:O[5]-2:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5a]C[5a]S[5a])(O[5]C[5])2(CCHH)	C(C[5]C[5a]O[5]2)(CC[5]HH)(H)2	O[5](C[5]C[5a]O[5]C)(C[5]C[5]HH)	C[5](C[5a]C[5a]S[5a])(O[5]C[5])2(CCHH){2|C<3>,5|H<1>}	C(C[5]C[5a]O[5]2)(CC[5]HH)(H)2	O[5](C[5]C[5a]O[5]C)(C[5]C[5]HH){1|C<3>,1|S<2>,2|H<1>}	109.1043	2.078	4	109.1043	4.318	4	109.1043	4.318	4	108.6042	3.312	6	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:2:4:	4:4:1:1:	4:4:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(O[5]C[5])2(CCHH)	C(C[5]C[6a]O[5]2)(CCHH)(H)2	O[5](C[5]C[6a]O[5]C)(C[5]C[5]CC)	C[5](C[6a]C[6a]2)(O[5]C[5])2(CCHH){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>}	C(C[5]C[6a]O[5]2)(CCHH)(H)2	O[5](C[5]C[6a]O[5]C)(C[5]C[5]CC){1|N<2>,2|C<3>}	108.1540	0.000	1	108.1540	0.000	1	108.1540	0.000	1	108.6042	3.312	6	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:3:4:	4:1:1:1:	4:4:	C[5]-3:O[5]-2:C-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]Si)(O[5]C[5])(CN[5]O)(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]HH)	C[5](C[5]C[5]Si)(O[5]C[5])(CN[5]O)(CH3){3|H<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]HH){1|Si<4>,1|H<1>}	108.2860	0.000	1	108.2860	0.000	1	108.2860	0.000	1	108.2860	0.000	1	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:1:	4:1:1:1:	4:4:	C[5,5]-3:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(CH3)(H)	C(C[5]C[5,5]O[5]H)(H)3	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[5]C[5,5]O[5]H)(H)3	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HH){1|C<3>,1|C<4>,1|H<1>}	110.7710	0.000	1	110.7710	0.000	1	110.7710	0.000	1	110.6089	2.287	15	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:1:	4:1:1:1:	4:4:	C[5,6]-3:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	B[5,5]-4:C[5]-4:	C[5](C[5,6]N[5,6]C[6])(O[5]B[5,5])(CH3)(H)	C(C[5]C[5,6]O[5]H)(H)3	O[5](B[5,5]N[5,6]O[5]2)(C[5]C[5,6]CH)	C[5](C[5,6]N[5,6]C[6])(O[5]B[5,5])(CH3)(H){1|H<1>,2|C<3>,2|O<2>}	C(C[5]C[5,6]O[5]H)(H)3	O[5](B[5,5]N[5,6]O[5]2)(C[5]C[5,6]CH){2|C<3>,2|C<4>}	111.3345	0.929	4	111.3345	0.863	4	111.3345	0.863	4	110.6089	2.287	15	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:1:	4:1:1:1:	4:4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CH3)(H)	C(C[5]C[5,6a]O[5]H)(H)3	O[5](C[5,5]C[5,6a]2O[5])(C[5]C[5,6a]CH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CH3)(H){1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]H)(H)3	O[5](C[5,5]C[5,6a]2O[5])(C[5]C[5,6a]CH){1|C<4>,4|C<3>}	110.6087	1.113	7	110.6087	1.238	7	110.6087	1.238	7	110.6089	2.287	15	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:1:	4:1:1:1:	4:4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]O)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]O)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|O<1>}	109.7430	0.000	1	109.7430	0.000	1	109.7430	0.000	1	110.6089	2.287	15	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:1:	4:1:1:1:	4:4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	Ga[5]-4:C[5]-4:	C[5](C[5]O[5]O)(O[5]Ga[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](Ga[5]O[5]CC)(C[5]C[5]CH)	C[5](C[5]O[5]O)(O[5]Ga[5])(CH3)(H){2|C<4>}	C(C[5]C[5]O[5]H)(H)3	O[5](Ga[5]O[5]CC)(C[5]C[5]CH){1|O<1>}	112.4000	0.000	1	112.4000	0.000	1	112.4000	0.000	1	110.6089	2.287	15	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:1:	4:1:1:1:	4:4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CF3)(H)	C(C[5]N[5]O[5]H)(F)3	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](N[5]C[5]C)(O[5]C[5])(CF3)(H){1|C<3>,3|H<1>}	C(C[5]N[5]O[5]H)(F)3	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|H<1>,2|C<3>}	106.6200	0.000	1	106.6200	0.000	1	106.6200	0.000	1	110.6089	2.287	15	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:1:	4:2:1:1:	4:4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]C)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]C)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,1|H<1>,1|N<3>}	108.9057	0.567	3	108.9057	0.322	3	109.7773	1.249	6	109.7773	1.249	6	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:1:	4:2:1:1:	4:4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(H){1|N<3>,2|H<1>}	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HH){1|H<1>,1|N<3>}	110.5645	0.999	2	110.5645	0.998	2	109.7773	1.249	6	109.7773	1.249	6	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:1:	4:2:1:1:	4:4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(H){1|N<3>,2|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>}	110.8180	0.000	1	110.8180	0.000	1	109.7773	1.249	6	109.7773	1.249	6	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:1:	4:3:1:1:	4:4:	C[5,6]-3:O[5]-2:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CHHN)(H)	C(C[5]C[5,6]O[5]H)(NOO)(H)2	O[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CHHN)(H){2|C<4>,4|H<1>}	C(C[5]C[5,6]O[5]H)(NOO)(H)2	O[5](C[5]C[5,6]CH)(C[5]C[5,6]HH){1|C<3>,1|C<4>,1|H<1>}	110.3480	0.000	1	110.3480	0.000	1	110.3480	0.000	1	109.9286	0.923	14	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:1:	4:3:1:1:	4:4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CCHH)(H)	C(C[5]C[5,6a]O[5]H)(CC[6a]O)(H)2	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]CH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[5]C[5,6a]O[5]H)(CC[6a]O)(H)2	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]CH){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	109.5790	0.000	1	109.5790	0.000	1	109.6725	0.017	2	109.9286	0.923	14	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:1:	4:3:1:1:	4:4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CCHH)(H)	C(C[5]C[5,6a]O[5]H)(CC[6a]O)(H)2	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]CH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(CC[6a]O)(H)2	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]CH){2|C<3>,2|C<4>,2|H<1>}	109.7660	0.000	1	109.7660	0.000	1	109.6725	0.017	2	109.9286	0.923	14	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:1:	4:3:1:1:	4:4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6a]O[5]H)(CC[6a]N)(H)2	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HP)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){1|P<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]O[5]H)(CC[6a]N)(H)2	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HP){2|C<3>}	110.5080	0.000	1	110.5080	0.000	1	109.7557	0.620	3	109.9286	0.923	14	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:1:	4:3:1:1:	4:4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6a]O[5]H)(CC[6a]O)(H)2	O[5](C[5]C[5,6a]CH)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]O[5]H)(CC[6a]O)(H)2	O[5](C[5]C[5,6a]CH)2{2|C<3>}	109.8220	0.000	1	109.8220	0.000	1	109.7557	0.620	3	109.9286	0.923	14	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:1:	4:3:1:1:	4:4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6a]O[5]H)(COO)(H)2	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCHH)(H){2|C<3>,3|H<1>}	C(C[5]C[5,6a]O[5]H)(COO)(H)2	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH){2|C<3>}	108.9370	0.000	1	108.9370	0.000	1	109.7557	0.620	3	109.9286	0.923	14	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:1:	4:3:1:1:	4:4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCO)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(H){2|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(CCO)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]CH){1|O<1>,2|H<1>}	109.7460	0.133	2	109.7460	0.018	2	109.7460	0.018	2	109.9286	0.923	14	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:1:	4:3:1:1:	4:4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[3,5]-4:C[5]-4:	C[5](C[5]C[3,5]O)(O[5]C[3,5])(CC[6a]HH)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	O[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)	C[5](C[5]C[3,5]O)(O[5]C[3,5])(CC[6a]HH)(H){1|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	O[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH){1|C<3>,1|O<1>,2|H<1>}	111.1760	0.000	1	111.1760	0.000	1	111.1760	0.000	1	109.9286	0.923	14	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:1:	4:3:1:1:	4:4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CCHH)(H)	C(C[5]N[5]O[5]H)(CC[5a]O)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](N[5]C[5]C)(O[5]C[5])(CCHH)(H){1|O<1>,2|H<1>}	C(C[5]N[5]O[5]H)(CC[5a]O)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|C<4>,1|O<1>}	108.9960	0.000	1	108.9960	0.000	1	109.8744	2.172	5	109.9286	0.923	14	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:1:	4:3:1:1:	4:4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CCHH)(H)	C(C[5]N[5]O[5]H)(CC[6a]O)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](N[5]C[5]C)(O[5]C[5])(CCHH)(H){1|O<1>,2|H<1>}	C(C[5]N[5]O[5]H)(CC[6a]O)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|C<4>,1|O<1>}	109.6340	0.686	2	109.6340	0.470	2	109.8744	2.172	5	109.9286	0.923	14	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:1:	4:3:1:1:	4:4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](N[5]C[5]S)(O[5]C[5])(CCHH)(H)	C(C[5]N[5]O[5]H)(COO)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](N[5]C[5]S)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	C(C[5]N[5]O[5]H)(COO)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|C<4>,1|H<1>,1|S<4>}	110.5540	2.531	2	110.5540	6.408	2	109.8744	2.172	5	109.9286	0.923	14	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:1:	4:3:3:1:	4:4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-3:C-3:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[6a]N[5])(O[5]C[5,5])(CCCH)(H)	C(C[5]C[5]O[5]H)(COO)2(H)	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)	C[5](C[5]C[6a]N[5])(O[5]C[5,5])(CCCH)(H){4|C<3>}	C(C[5]C[5]O[5]H)(COO)2(H)	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH){1|N<3>,1|O<1>,3|C<3>}	109.4810	0.000	1	109.4810	0.000	1	109.4810	0.000	1	109.9003	4.937	3	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:1:	4:3:3:1:	4:4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]O)(O[5]C[5,5])(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(C[5]C[5]2)(CCH)(H)	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CH)	C[5](C[5]C[5,5]O)(O[5]C[5,5])(CC[5]CH)(H){1|O<2>,3|C<4>}	C(C[5]C[5]O[5]H)(C[5]C[5]2)(CCH)(H)	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CH){1|O<1>,2|H<1>,3|C<4>}	112.3020	0.000	1	112.3020	0.000	1	112.3020	0.000	1	109.9003	4.937	3	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:1:	4:3:3:1:	4:4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-3:C-3:H-1:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CCCH)(H)	C(C[5]N[5]O[5]H)(CC[6a]O)2(H)	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](N[5]C[5]C)(O[5]C[5])(CCCH)(H){1|O<1>,2|H<1>}	C(C[5]N[5]O[5]H)(CC[6a]O)2(H)	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|C<4>,1|O<1>}	107.9180	0.000	1	107.9180	0.000	1	107.9180	0.000	1	109.9003	4.937	3	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:1:1:	4:4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CCHH)(H)	C(C[5]C[5,6a]O[5]H)(CH3)(H)2	O[5](C[5,5]C[5,6a]2O[5])(C[5]C[5,6a]CH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CCHH)(H){1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]H)(CH3)(H)2	O[5](C[5,5]C[5,6a]2O[5])(C[5]C[5,6a]CH){1|C<4>,4|C<3>}	110.2313	0.376	3	110.2313	0.141	3	110.2313	0.141	3	110.1310	0.387	8	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:1:1:	4:4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5a,6a]C[5,6a])(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6a]O[5]H)(CH3)(H)2	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)	C[5](C[5,6a]C[5a,6a]C[5,6a])(O[5]C[5])(CCHH)(H){2|H<1>,3|C<3>}	C(C[5]C[5,6a]O[5]H)(CH3)(H)2	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH){2|C<3>}	110.8310	0.000	1	110.8310	0.000	1	110.8310	0.000	1	110.1310	0.387	8	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:1:1:	4:4:	O[5]-3:O[5]-2:C-4:H-1:	C[5]-4:N-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5]Mg)(O[5]C[5])(CHHN)(H)	C(C[5]O[5]2H)(NMgCC)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CH)	C[5](O[5]C[5]Mg)(O[5]C[5])(CHHN)(H){4|H<1>}	C(C[5]O[5]2H)(NMgCC)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CH){1|Mg<6>,2|H<1>}	109.8808	0.743	4	109.8808	0.552	4	109.8808	0.552	4	110.1310	0.387	8	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:2:1:	4:4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]O)(O[5]C[5,5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]O)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|N<3>}	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	109.2050	0.000	1	109.2050	0.000	1	109.2050	0.000	1	112.7485	25.113	2	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:2:1:	4:4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[6]-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O)(O[5]C[5])(CC[6]HO)(H)	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]C)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]CO)	C[5](C[5]C[5]O)(O[5]C[5])(CC[6]HO)(H){1|O<2>,3|C<4>}	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]C)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]CO){1|O<1>,2|C<4>}	116.2920	0.000	1	116.2920	0.000	1	116.2920	0.000	1	112.7485	25.113	2	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:2:2:	4:4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-2:C-2:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC3)(H)	C(C[5]C[5,6a]O[5]H)(CH3)(CN)2	O[5](C[5]C[5,6a]CH)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC3)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]O[5]H)(CH3)(CN)2	O[5](C[5]C[5,6a]CH)2{2|C<3>}	107.6640	0.000	1	107.6640	0.000	1	107.6640	0.000	1	107.6640	0.000	1	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:3:3:	4:4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-3:C-3:	C[5,5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CC3)(H)	C(C[5]C[5,6a]O[5]H)(CCHH)(COO)2	O[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,5])(CC3)(H){1|H<1>,4|C<3>}	C(C[5]C[5,6a]O[5]H)(CCHH)(COO)2	O[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CH){1|C<4>,5|C<3>}	108.5190	0.000	1	108.5190	0.000	1	108.5190	0.000	1	108.4770	0.004	2	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:3:3:	4:4:	C[5,6a]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-3:C-3:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC3)(H)	C(C[5]C[5,6a]O[5]H)(CCHH)(COO)2	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]CO)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC3)(H){1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]H)(CCHH)(COO)2	O[5](C[5]C[5,6a]CH)(C[5]C[5,6a]CO){2|C<3>}	108.4350	0.000	1	108.4350	0.000	1	108.4350	0.000	1	108.4770	0.004	2	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:4:1:	4:4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5,5]-4:C[5]-4:	C[5](N[5]C[5,5]H)(O[5]C[5,5])(CCCH)(H)	C(C[5]N[5]O[5]H)(CH3)2(H)	O[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]CH)	C[5](N[5]C[5,5]H)(O[5]C[5,5])(CCCH)(H){4|C<3>}	C(C[5]N[5]O[5]H)(CH3)2(H)	O[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]CH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	120.6410	0.000	1	120.6410	0.000	1	120.6410	0.000	1	113.7753	35.727	3	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:4:1:	4:4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:	C[5](N[5]C[5]S)(O[5]C[5])(CCCH)(H)	C(C[5]N[5]O[5]H)(CCHH)2(H)	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](N[5]C[5]S)(O[5]C[5])(CCCH)(H){1|C<4>,3|H<1>}	C(C[5]N[5]O[5]H)(CCHH)2(H)	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|C<4>,1|H<1>,1|S<4>}	109.7310	0.000	1	109.7310	0.000	1	110.3425	0.748	2	113.7753	35.727	3	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:4:1:	4:4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:	C[5](N[5]C[5]Si)(O[5]C[5])(CCCH)(H)	C(C[5]N[5]O[5]H)(CH3)2(H)	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](N[5]C[5]Si)(O[5]C[5])(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[5]N[5]O[5]H)(CH3)2(H)	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|Si<4>,1|C<3>,1|C<4>}	110.9540	0.000	1	110.9540	0.000	1	110.3425	0.748	2	113.7753	35.727	3	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:4:4:	4:4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-4:	C[5](N[5,5]C[3x5]C[5])(O[5]C[5])(CC3)(H)	C(C[5]N[5,5]O[5]H)(CH3)3	O[5](C[5]C[3x5]HH)(C[5]N[5,5]CH)	C[5](N[5,5]C[3x5]C[5])(O[5]C[5])(CC3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[5]N[5,5]O[5]H)(CH3)3	O[5](C[5]C[3x5]HH)(C[5]N[5,5]CH){1|C<4>,2|C<3>}	109.7040	0.000	1	109.7040	0.000	1	110.9247	5.453	25	110.9901	4.941	33	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:4:4:	4:4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	C(C[5]N[5,5]O[5]H)(CH3)3	O[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C(C[5]N[5,5]O[5]H)(CH3)3	O[5](C[5]C[5,5]CH)(C[5]N[5,5]CH){1|C<4>,2|C<3>}	112.7575	2.744	10	112.0191	6.785	14	110.9247	5.453	25	110.9901	4.941	33	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:4:4:	4:4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	C(C[5]N[5,5]O[5]H)(CH3)3	O[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C(C[5]N[5,5]O[5]H)(CH3)3	O[5](C[5]C[5,5]CH)(C[5]N[5,5]CH){3|C<3>}	110.1730	0.669	4	112.0191	6.785	14	110.9247	5.453	25	110.9901	4.941	33	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:4:4:	4:4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	C(C[5]N[5,5]O[5]H)(CH3)3	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[5]N[5,5]O[5]H)(CH3)3	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CH){1|C<4>,2|C<3>}	109.2470	0.000	1	109.5147	0.504	10	110.9247	5.453	25	110.9901	4.941	33	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:4:4:	4:4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	C(C[5]N[5,5]O[5]H)(CH3)3	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[5]N[5,5]O[5]H)(CH3)3	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CH){3|C<3>}	109.5315	0.488	4	109.5147	0.504	10	110.9247	5.453	25	110.9901	4.941	33	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:4:4:	4:4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	C(C[5]N[5,5]O[5]H)(CH3)3	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|O<1>,2|C<4>,3|H<1>}	C(C[5]N[5,5]O[5]H)(CH3)3	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CH){1|C<3>,1|C<4>,1|H<1>}	108.6520	0.042	2	109.5147	0.504	10	110.9247	5.453	25	110.9901	4.941	33	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:4:4:	4:4:	N[5,5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	C(C[5]N[5,5]O[5]H)(CH3)3	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CH)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|O<1>,2|H<1>,3|C<3>}	C(C[5]N[5,5]O[5]H)(CH3)3	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CH){3|C<3>}	110.1567	0.714	3	109.5147	0.504	10	110.9247	5.453	25	110.9901	4.941	33	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:4:4:	4:4:	N[5,6,6]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-4:	C[5](N[5,6,6]C[5,3x6]C[6,6])(O[5]C[5])(CC3)(H)	C(C[5]N[5,6,6]O[5]H)(CH3)3	O[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]CH)	C[5](N[5,6,6]C[5,3x6]C[6,6])(O[5]C[5])(CC3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[5]N[5,6,6]O[5]H)(CH3)3	O[5](C[5]C[5,3x6]HH)(C[5]N[5,6,6]CH){1|C<4>,2|C<3>}	112.3700	0.000	1	112.3700	0.000	1	112.3700	0.000	1	110.9901	4.941	33	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:4:4:	4:4:	N[5,6]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-4:	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(CC3)(H)	C(C[5]N[5,6]O[5]H)(CH3)3	O[5](C[5]C[5,6]CH)(C[5]N[5,6]CH)	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(CC3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[5]N[5,6]O[5]H)(CH3)3	O[5](C[5]C[5,6]CH)(C[5]N[5,6]CH){1|H<1>,2|C<3>}	112.0480	0.000	1	112.0480	0.000	1	112.0480	0.000	1	110.9901	4.941	33	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:4:4:	4:4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CC3)(H)	C(C[5]N[5]O[5]H)(CH3)3	O[5](C[5]C[5]CH)(C[5]N[5]CH)	C[5](N[5]C[5]C)(O[5]C[5])(CC3)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[5]N[5]O[5]H)(CH3)3	O[5](C[5]C[5]CH)(C[5]N[5]CH){1|H<1>,2|C<3>}	109.3170	0.000	1	109.3170	0.000	1	110.8562	4.800	6	110.9901	4.941	33	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:4:4:	4:4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CC3)(H)	C(C[5]N[5]O[5]H)(CH3)3	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](N[5]C[5]C)(O[5]C[5])(CC3)(H){1|C<4>,3|H<1>}	C(C[5]N[5]O[5]H)(CH3)3	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|C<3>,1|C<4>,1|H<1>}	108.6985	0.835	2	109.9477	5.030	3	110.8562	4.800	6	110.9901	4.941	33	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:4:4:	4:4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CC3)(H)	C(C[5]N[5]O[5]H)(CH3)3	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](N[5]C[5]C)(O[5]C[5])(CC3)(H){2|C<4>,2|H<1>}	C(C[5]N[5]O[5]H)(CH3)3	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|C<3>,2|C<4>}	112.4460	0.000	1	109.9477	5.030	3	110.8562	4.800	6	110.9901	4.941	33	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:1:	4:4:4:4:	4:4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-4:	C[5](N[5]C[5]S)(O[5]C[5])(CC3)(H)	C(C[5]N[5]O[5]H)(CH3)3	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](N[5]C[5]S)(O[5]C[5])(CC3)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[5]N[5]O[5]H)(CH3)3	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|C<3>,1|C<4>,1|S<4>}	112.9885	0.042	2	112.9885	0.002	2	110.8562	4.800	6	110.9901	4.941	33	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:2:	4:3:2:1:	4:4:	C[5a]-3:O[5]-2:C-4:N[5]-2:	C[5]-4:C[6a]-3:O-2:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5a]C[5a]O[5a])(O[5]C[5,5])(CC[6a]HO)(N[5]C[5])	C(C[5]C[5a]N[5]O[5])(C[6a]C[6a]2)(OH)(H)	O[5](C[5,5]C[5]2N[5])(C[5]C[5a]N[5]C)	C[5](C[5a]C[5a]O[5a])(O[5]C[5,5])(CC[6a]HO)(N[5]C[5]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[5]C[5a]N[5]O[5])(C[6a]C[6a]2)(OH)(H)	O[5](C[5,5]C[5]2N[5])(C[5]C[5a]N[5]C){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	107.8180	0.000	1	107.8180	0.000	1	107.8180	0.000	1	107.8180	0.000	1	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:2:	4:4:1:1:	4:2:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:	C[5](C[5]C[5]C)(O[5]O[5])(CCHH)(OH)	C(C[5]C[5]O[5]O)(CC[5,6]CH)(H)2	O[5](C[5]C[5]CO)(O[5]C[5])	C[5](C[5]C[5]C)(O[5]O[5])(CCHH)(OH){2|C<4>}	C(C[5]C[5]O[5]O)(CC[5,6]CH)(H)2	O[5](C[5]C[5]CO)(O[5]C[5]){1|C<3>,2|C<4>}	104.3910	0.000	1	104.3910	0.000	1	104.3910	0.000	1	104.3910	0.000	1	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:2:	4:4:1:1:	4:4:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:C-4:F-1:F-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]C)(O[5]C[5])(CCFF)(OH)	C(C[5]C[5]O[5]O)(CCHH)(F)2	O[5](C[5]C[6a]C[5]O)(C[5]C[5]CO)	C[5](C[5]C[5]C)(O[5]C[5])(CCFF)(OH){1|O<2>,2|C<3>}	C(C[5]C[5]O[5]O)(CCHH)(F)2	O[5](C[5]C[6a]C[5]O)(C[5]C[5]CO){1|C<4>,3|C<3>}	104.6620	0.505	2	104.6620	0.255	2	104.6620	0.255	2	106.8593	14.612	3	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:2:	4:4:1:1:	4:4:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]O)(O[5]C[5,5])(CCHH)(OH)	C(C[5]C[5]O[5]O)(CC3)(H)2	O[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]CO)	C[5](C[5]C[5,5]O)(O[5]C[5,5])(CCHH)(OH){1|H<1>,3|C<4>}	C(C[5]C[5]O[5]O)(CC3)(H)2	O[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]CO){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	111.2540	0.000	1	111.2540	0.000	1	111.2540	0.000	1	106.8593	14.612	3	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:2:	4:4:4:4:	4:4:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]O)(O[5]C[5])(CC3)(OH)	C(C[5]C[5]O[5]O)(CH3)3	O[5](C[5]C[5]CO)(C[5]O[5]CC)	C[5](C[5]O[5]O)(O[5]C[5])(CC3)(OH){1|C<3>,1|C<4>}	C(C[5]C[5]O[5]O)(CH3)3	O[5](C[5]C[5]CO)(C[5]O[5]CC){1|O<1>}	109.2730	0.000	1	109.2730	0.000	1	109.2730	0.000	1	109.2730	0.000	1	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:3:	4:1:1:1:	4:4:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]O)(O[5]C[5,6])(CH3)(COO)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)	C[5](C[5]C[5,6]O)(O[5]C[5,6])(CH3)(COO){1|C<3>,3|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	109.7380	0.000	1	109.9220	0.068	2	109.9220	0.068	2	109.7694	0.531	8	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:3:	4:1:1:1:	4:4:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]O)(O[5]C[5,6])(CH3)(COO)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)	C[5](C[5]C[5,6]O)(O[5]C[5,6])(CH3)(COO){4|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC){1|O<1>,2|H<1>,3|C<4>}	110.1060	0.000	1	109.9220	0.068	2	109.9220	0.068	2	109.7694	0.531	8	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:3:	4:1:1:1:	4:4:	C[5]-3:O[5]-2:C-4:N-3:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]N[5,6]O)(O[5]C[5,6])(CH3)(NCH)	C(C[5]C[5]O[5]N)(H)3	O[5](C[5,6]C[5,6]N[5,6]O)(C[5]C[5]CN)	C[5](C[5]N[5,6]O)(O[5]C[5,6])(CH3)(NCH){1|O<2>,2|C<4>}	C(C[5]C[5]O[5]N)(H)3	O[5](C[5,6]C[5,6]N[5,6]O)(C[5]C[5]CN){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	110.5335	0.579	2	110.5335	0.335	2	110.5335	0.335	2	109.7694	0.531	8	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:3:	4:1:1:1:	4:4:	N[5,5]-3:O[5]-2:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CH3)(CCO)	C(C[5]N[5,5]O[5]C)(H)3	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CC)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CH3)(CCO){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[5]N[5,5]O[5]C)(H)3	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CC){1|C<4>,2|C<3>}	109.3110	0.648	4	109.3110	0.421	4	109.3110	0.421	4	109.7694	0.531	8	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:3:	4:4:3:1:	4:4:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-4:C-4:C-3:H-1:	B[5]-4:C[5]-4:	C[5](C[5]N[5]O[5])(O[5]B[5])(CCCH)(CCO)	C(C[5]C[5]O[5]C)(CH3)(CCH)(H)	O[5](B[5]O[5]FF)(C[5]C[5]CC)	C[5](C[5]N[5]O[5])(O[5]B[5])(CCCH)(CCO){2|C<4>,2|F<1>}	C(C[5]C[5]O[5]C)(CH3)(CCH)(H)	O[5](B[5]O[5]FF)(C[5]C[5]CC){1|N<3>}	111.2122	0.747	4	111.2122	0.558	4	110.7227	0.548	11	110.9502	1.119	12	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:3:	4:4:3:1:	4:4:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-4:C-4:C-3:H-1:	B[5]-4:C[5]-4:	C[5](C[5]N[6]O[5])(O[5]B[5])(CCCH)(CCO)	C(C[5]C[5]O[5]C)(CH3)(CCH)(H)	O[5](B[5]O[5]FF)(C[5]C[5]CC)	C[5](C[5]N[6]O[5])(O[5]B[5])(CCCH)(CCO){2|C<4>,2|F<1>}	C(C[5]C[5]O[5]C)(CH3)(CCH)(H)	O[5](B[5]O[5]FF)(C[5]C[5]CC){1|N<3>}	109.8683	0.418	3	109.8683	0.175	3	110.7227	0.548	11	110.9502	1.119	12	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:3:	4:4:3:1:	4:4:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-4:C-4:C-3:H-1:	B[5]-4:C[5]-4:	C[5](C[5]O[5]N)(O[5]B[5])(CCCH)(CCO)	C(C[5]C[5]O[5]C)(CH3)(CCH)(H)	O[5](B[5]O[5]FF)(C[5]C[5]CC)	C[5](C[5]O[5]N)(O[5]B[5])(CCCH)(CCO){2|F<1>}	C(C[5]C[5]O[5]C)(CH3)(CCH)(H)	O[5](B[5]O[5]FF)(C[5]C[5]CC){1|N<3>}	110.8740	0.266	4	110.8740	0.071	4	110.7227	0.548	11	110.9502	1.119	12	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:3:	4:4:3:1:	4:4:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-4:C-4:C-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O)(O[5]C[5])(CCCH)(COO)	C(C[5]C[5]O[5]C)(CCHH)(CCH)(H)	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]O)(O[5]C[5])(CCCH)(COO){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]C)(CCHH)(CCH)(H)	O[5](C[5]C[5]CC)(C[5]C[5]CH){1|O<1>,2|H<1>}	113.4520	0.000	1	113.4520	0.000	1	113.4520	0.000	1	110.9502	1.119	12	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:3:	4:4:4:1:	4:4:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-4:C-4:C-4:H-1:	B[5]-4:C[5]-4:	C[5](C[5]N[6]O[5])(O[5]B[5])(CCCH)(CCO)	C(C[5]C[5]O[5]C)(CBrCH)(CH3)(H)	O[5](B[5]O[5]FF)(C[5]C[5]CC)	C[5](C[5]N[6]O[5])(O[5]B[5])(CCCH)(CCO){2|C<4>,2|F<1>}	C(C[5]C[5]O[5]C)(CBrCH)(CH3)(H)	O[5](B[5]O[5]FF)(C[5]C[5]CC){1|N<3>}	109.4890	0.000	1	109.4890	0.000	1	109.4890	0.000	1	109.9995	0.521	2	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:3:	4:4:4:1:	4:4:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-4:C[5]-4:C-4:H-1:	B[5]-4:C[5]-4:	C[5](C[5]N[6]O[5])(O[5]B[5])(CC[5]CH)(CCO)	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(CH3)(H)	O[5](B[5]O[5]FF)(C[5]C[5]CC)	C[5](C[5]N[6]O[5])(O[5]B[5])(CC[5]CH)(CCO){2|C<4>,2|F<1>}	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(CH3)(H)	O[5](B[5]O[5]FF)(C[5]C[5]CC){1|N<3>}	110.5100	0.000	1	110.5100	0.000	1	110.5100	0.000	1	109.9995	0.521	2	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:3:	4:4:4:4:	4:4:	C[5]-3:O[5]-2:C-4:N-3:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]C)(O[5]C[5])(CC3)(NHH)	C(C[5]C[5]O[5]N)(CH3)3	O[5](C[5]C[5]CC)(C[5]C[5]CN)	C[5](C[5]C[5]C)(O[5]C[5])(CC3)(NHH){1|C<3>,2|C<4>}	C(C[5]C[5]O[5]N)(CH3)3	O[5](C[5]C[5]CC)(C[5]C[5]CN){2|C<3>}	106.5890	0.000	1	106.5890	0.000	1	106.5890	0.000	1	106.5890	0.000	1	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	3:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	I[5]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(CF3)2	C(C[5]C[5,6a]O[5]C)(F)3	O[5](I[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(CF3)2{1|H<1>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(F)3	O[5](I[5]C[5,6a]C[6a])(C[5]C[5,6a]CC){4|C<3>}	107.8150	0.267	2	107.8150	0.071	2	107.8150	0.071	2	107.3890	0.346	4	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	3:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	I[4,5]-3:C[5]-4:	C[5](C[5]C[4,5]H)(O[5]I[4,5])(CF3)2	C(C[5]C[5]O[5]C)(F)3	O[5](I[4,5]C[4,5]O[4])(C[5]C[5]CC)	C[5](C[5]C[4,5]H)(O[5]I[4,5])(CF3)2{1|C<4>,1|O<2>}	C(C[5]C[5]O[5]C)(F)3	O[5](I[4,5]C[4,5]O[4])(C[5]C[5]CC){1|C<4>,1|H<1>}	106.9630	0.489	2	106.9630	0.239	2	106.9630	0.239	2	107.3890	0.346	4	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:2:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:	C[5](C[5]C[5]C)(O[5]O[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(O[5]C[5])	C[5](C[5]C[5]C)(O[5]O[5])(CH3)2{1|C<4>,1|O<2>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>}	107.8920	3.833	2	107.8920	14.688	2	107.8920	14.688	2	107.8920	14.688	2	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:3:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:I[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(CH3)2	C(C[5]C[5,6a]O[5]C)(H)3	O[5](C[5]C[5,6a]CC)(I[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(H)3	O[5](C[5]C[5,6a]CC)(I[5]C[5,6a]C){2|C<3>}	108.8095	2.159	2	108.8095	4.660	2	107.9567	4.756	12	107.9567	4.756	12	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:3:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:I[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(CH3)2	C(C[5]C[5,6a]O[5]C)(H)3	O[5](C[5]C[5,6a]CC)(I[5]C[5,6a]F)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(CH3)2{1|F<1>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(H)3	O[5](C[5]C[5,6a]CC)(I[5]C[5,6a]F){2|C<3>}	107.8495	2.349	8	107.8495	5.520	8	107.9567	4.756	12	107.9567	4.756	12	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:3:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:I[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(CH3)2	C(C[5]C[5,6a]O[5]C)(H)3	O[5](C[5]C[5,6a]CC)(I[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(CH3)2{1|H<1>,1|O<2>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(H)3	O[5](C[5]C[5,6a]CC)(I[5]C[5,6a]O){2|C<3>}	107.5330	2.667	2	107.5330	7.114	2	107.9567	4.756	12	107.9567	4.756	12	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:4:	C[5,5a]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5a]N[5,5a]C[5a])(O[5]C[5])(CH3)2	C(C[5]C[5,5a]O[5]C)(H)3	O[5](C[5]C[5,5a]CC)(C[5]N[5,5a]CH)	C[5](C[5,5a]N[5,5a]C[5a])(O[5]C[5])(CH3)2{2|H<1>,3|C<3>}	C(C[5]C[5,5a]O[5]C)(H)3	O[5](C[5]C[5,5a]CC)(C[5]N[5,5a]CH){2|C<3>}	108.0495	1.515	2	108.0495	2.296	2	108.0495	2.296	2	108.3112	2.536	192	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	Ge[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Ge[5])(CF3)2	C(C[5]C[5,6a]O[5]C)(F)3	O[5](Ge[5]C[5,6a]C[6a]Ge[5])(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Ge[5])(CF3)2{1|Ge<4>,1|H<1>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(F)3	O[5](Ge[5]C[5,6a]C[6a]Ge[5])(C[5]C[5,6a]CC){1|O<2>,6|C<3>}	106.2643	0.281	4	106.2643	0.079	4	106.2643	0.079	4	108.3112	2.536	192	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	P[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5])(CF3)2	C(C[5]C[5,6a]O[5]C)(F)3	O[5](P[5]C[5,6a]C[6a]C)(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5])(CF3)2{1|C<4>,1|H<1>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(F)3	O[5](P[5]C[5,6a]C[6a]C)(C[5]C[5,6a]CC){4|C<3>}	106.9665	0.702	2	107.1902	0.527	6	107.1902	0.527	6	108.3112	2.536	192	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	P[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5])(CF3)2	C(C[5]C[5,6a]O[5]C)(F)3	O[5](P[5]C[5,6a]C[6a]C)(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5])(CF3)2{1|H<1>,4|C<3>}	C(C[5]C[5,6a]O[5]C)(F)3	O[5](P[5]C[5,6a]C[6a]C)(C[5]C[5,6a]CC){4|C<3>}	107.3020	0.815	4	107.1902	0.527	6	107.1902	0.527	6	108.3112	2.536	192	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	S[4,5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]S[4,5])(CF3)2	C(C[5]C[5,6a]O[5]C)(F)3	O[5](S[4,5]C[5,6a]C[4]N[4])(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]S[4,5])(CF3)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(F)3	O[5](S[4,5]C[5,6a]C[4]N[4])(C[5]C[5,6a]CC){1|C<4>,1|H<1>,4|C<3>}	107.8985	0.416	4	107.8985	0.173	4	107.8985	0.173	4	108.3112	2.536	192	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	Se[4,5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Se[4,5])(CF3)2	C(C[5]C[5,6a]O[5]C)(F)3	O[5](Se[4,5]C[5,6a]C[4]N[4])(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Se[4,5])(CF3)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(F)3	O[5](Se[4,5]C[5,6a]C[4]N[4])(C[5]C[5,6a]CC){1|C<4>,1|H<1>,4|C<3>}	107.3315	0.455	2	107.3315	0.207	2	107.3315	0.207	2	108.3112	2.536	192	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	Si[5,5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5,5])(CF3)2	C(C[5]C[5,6a]O[5]C)(F)3	O[5](Si[5,5]C[5,6a]2O[5])(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5,5])(CF3)2{1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(F)3	O[5](Si[5,5]C[5,6a]2O[5])(C[5]C[5,6a]CC){1|C<4>,4|C<3>}	106.3071	0.295	8	106.3071	0.087	8	106.3071	0.087	8	108.3112	2.536	192	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	Si[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CF3)2	C(C[5]C[5,6a]O[5]C)(F)3	O[5](Si[5]C[5,6a]CC)(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CF3)2{1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]O[5]C)(F)3	O[5](Si[5]C[5,6a]CC)(C[5]C[5,6a]CC){2|C<3>}	106.6778	0.321	4	106.6778	0.103	4	107.3343	1.205	12	108.3112	2.536	192	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	Si[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CF3)2	C(C[5]C[5,6a]O[5]C)(F)3	O[5](Si[5]C[5,6a]C[6a]Si[5])(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CF3)2{1|Si<4>,1|H<1>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(F)3	O[5](Si[5]C[5,6a]C[6a]Si[5])(C[5]C[5,6a]CC){1|O<2>,6|C<3>}	107.6626	1.217	8	107.6626	1.480	8	107.3343	1.205	12	108.3112	2.536	192	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(CH3)2	C(C[5]C[5,6a]O[5]C)(H)3	O[5](C[5,6]C[5,6a]C[6]O[6])(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6])(CH3)2{1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(H)3	O[5](C[5,6]C[5,6a]C[6]O[6])(C[5]C[5,6a]CC){1|H<1>,4|C<3>}	108.1330	0.990	6	108.1330	0.980	6	108.1330	0.980	6	108.3112	2.536	192	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2	C(C[5]C[5,6a]O[5]C)(H)3	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]CH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2{1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]O[5]C)(H)3	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]CH){2|C<3>}	107.6220	0.246	4	107.6220	0.060	4	107.6220	0.060	4	108.3112	2.536	192	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:S[5]-4:	C[5](C[5,6a]C[5,6a]N[6a])(O[5]S[5])(CH3)2	C(C[5]C[5,6a]O[5]C)(H)3	O[5](C[5]C[5,6a]CC)(S[5]C[5,6a]OO)	C[5](C[5,6a]C[5,6a]N[6a])(O[5]S[5])(CH3)2{2|C<3>,2|O<1>}	C(C[5]C[5,6a]O[5]C)(H)3	O[5](C[5]C[5,6a]CC)(S[5]C[5,6a]OO){1|C<3>,1|N<2>}	107.7747	1.604	4	107.7747	2.573	4	107.7747	2.573	4	108.3112	2.536	192	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]C)(O[5]C[5,6])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)	C[5](C[5]C[5,6]C)(O[5]C[5,6])(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC){1|C<4>,2|C<3>,2|H<1>}	107.7415	2.104	2	107.7415	4.425	2	107.8723	1.807	4	108.3112	2.536	192	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]Cl)(O[5]C[5,6])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,6]C[6,6a]C[5]O[6])(C[5]C[5]CC)	C[5](C[5]C[5]Cl)(O[5]C[5,6])(CH3)2{1|C<3>,1|I<1>,1|O<2>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,6]C[6,6a]C[5]O[6])(C[5]C[5]CC){1|Cl<1>,1|I<1>,3|C<3>}	108.0030	0.963	2	108.0030	0.928	2	107.8723	1.807	4	108.3112	2.536	192	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]N)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)2	C[5](C[5]C[5]N)(O[5]C[5])(CH3)2{1|N<3>,2|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)2{2|N<3>}	108.4035	0.935	8	108.4035	0.875	8	109.0346	1.855	24	108.3112	2.536	192	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(CH3){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]CH){1|O<1>,2|H<1>}	108.0120	0.000	1	108.0120	0.000	1	109.0346	1.855	24	108.3112	2.536	192	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]CO)	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(CH3){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]CO){1|C<4>,1|H<1>,1|O<1>}	110.3020	0.000	1	110.3020	0.000	1	109.0346	1.855	24	108.3112	2.536	192	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2{1|C<4>,1|S<4>,2|H<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]CH){1|H<1>,1|O<1>,1|S<4>}	109.6595	3.038	2	109.6595	9.232	2	109.0346	1.855	24	108.3112	2.536	192	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2{1|C<3>,1|S<4>,2|H<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){1|H<1>,1|O<1>,1|S<4>,2|C<3>}	110.0735	1.270	4	109.7785	2.092	6	109.0346	1.855	24	108.3112	2.536	192	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2{1|Cl<1>,1|C<3>,1|H<1>,1|S<2>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){1|Cl<1>,1|O<1>,1|S<2>,2|C<3>}	109.1885	2.139	2	109.7785	2.092	6	109.0346	1.855	24	108.3112	2.536	192	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5]O)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]N[5]CH)	C[5](C[5]N[5]O)(O[5]C[5])(CH3)2{1|C<3>,1|H<1>,1|O<2>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]N[5]CH){1|O<1>,1|O<2>}	108.9380	0.655	2	108.9380	0.429	2	109.0346	1.855	24	108.3112	2.536	192	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]C)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[6a]O[5]C)(C[5]C[5]CC)	C[5](C[5]O[5]C)(O[5]C[5])(CH3)2{1|C<3>,1|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[6a]O[5]C)(C[5]C[5]CC){3|C<3>}	108.2420	1.707	2	108.2420	2.914	2	109.0346	1.855	24	108.3112	2.536	192	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]N)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[6a]O[5]C)(C[5]C[5]CC)	C[5](C[5]O[5]N)(O[5]C[5])(CH3)2{1|C<3>,1|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[6a]O[5]C)(C[5]C[5]CC){1|N<2>,2|C<3>}	109.4690	1.380	2	109.4690	1.905	2	109.0346	1.855	24	108.3112	2.536	192	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:S[5]-4:	C[5](C[5]C[5]S)(O[5]S[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(S[5]C[5]OO)	C[5](C[5]C[5]S)(O[5]S[5])(CH3)2{1|C<3>,2|O<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(S[5]C[5]OO){1|C<3>,1|S<2>}	106.9360	0.259	2	106.9360	0.067	2	106.9360	0.067	2	108.3112	2.536	192	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:4:	N[5,5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2	C(C[5]N[5,5]O[5]C)(H)3	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CC)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2{1|O<1>,2|C<3>,3|H<1>}	C(C[5]N[5,5]O[5]C)(H)3	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CC){1|H<1>,2|C<3>}	108.6030	1.715	2	109.0445	2.076	6	109.0445	2.076	6	108.3112	2.536	192	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:4:	N[5,5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2	C(C[5]N[5,5]O[5]C)(H)3	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CC)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2{1|O<1>,2|C<4>,3|H<1>}	C(C[5]N[5,5]O[5]C)(H)3	O[5](C[5]C[5,5]HH)(C[5]N[5,5]CC){1|C<3>,1|C<4>,1|H<1>}	109.2652	1.512	4	109.0445	2.076	6	109.0445	2.076	6	108.3112	2.536	192	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:4:	N[5,6]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(CH3)2	C(C[5]N[5,6]O[5]C)(H)3	O[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]CC)	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(CH3)2{1|C<3>,2|C<4>,4|H<1>}	C(C[5]N[5,6]O[5]C)(H)3	O[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]CC){1|H<1>,2|C<3>,2|C<4>}	108.4125	0.839	2	108.4125	0.704	2	108.8852	1.203	4	108.3112	2.536	192	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:4:	N[5,6]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(CH3)2	C(C[5]N[5,6]O[5]C)(H)3	O[5](C[5]C[5,6]HH)(C[5]N[5,6]CC)	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(CH3)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C(C[5]N[5,6]O[5]C)(H)3	O[5](C[5]C[5,6]HH)(C[5]N[5,6]CC){1|H<1>,2|C<3>}	109.3580	1.418	2	109.3580	2.012	2	108.8852	1.203	4	108.3112	2.536	192	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:4:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:Cl-1:Cl-1:Cl-1:	C[5]-4:C[5]-4:	C[5](N[5]C[6a]C[5])(O[5]C[5])(CCHH)(CCl3)	C(C[5]N[5]O[5]C)(Cl)3	O[5](C[5]C[5]HH)(C[5]N[5]CC)	C[5](N[5]C[6a]C[5])(O[5]C[5])(CCHH)(CCl3){2|C<3>,4|H<1>}	C(C[5]N[5]O[5]C)(Cl)3	O[5](C[5]C[5]HH)(C[5]N[5]CC){1|C<3>,2|H<1>}	106.2390	0.000	1	106.2390	0.000	1	106.2390	0.000	1	108.3112	2.536	192	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:4:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](N[5]C[5,6]C)(O[5]C[5,6])(CH3)2	C(C[5]N[5]O[5]C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CC)	C[5](N[5]C[5,6]C)(O[5]C[5,6])(CH3)2{2|C<4>,2|H<1>}	C(C[5]N[5]O[5]C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	108.7375	2.473	2	108.7375	6.115	2	108.4862	3.982	4	108.3112	2.536	192	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:4:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](N[5]C[5,6]S)(O[5]C[5,6])(CH3)2	C(C[5]N[5]O[5]C)(H)3	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5]CC)	C[5](N[5]C[5,6]S)(O[5]C[5,6])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]N[5]O[5]C)(H)3	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5]CC){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	108.2350	2.362	2	108.2350	5.578	2	108.4862	3.982	4	108.3112	2.536	192	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:4:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CCHH)(CH3)	C(C[5]N[5]O[5]C)(H)3	O[5](C[5]C[5]CH)(C[5]N[5]CC)	C[5](N[5]C[5]C)(O[5]C[5])(CCHH)(CH3){1|C<4>,3|H<1>}	C(C[5]N[5]O[5]C)(H)3	O[5](C[5]C[5]CH)(C[5]N[5]CC){1|C<3>,2|H<1>}	109.0430	0.000	1	109.0430	0.000	1	108.5833	2.639	91	108.3112	2.536	192	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:4:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	C(C[5]N[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]N[5]CC)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|H<1>,3|C<4>}	C(C[5]N[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]N[5]CC){1|C<3>,1|C<4>,1|H<1>}	108.7350	1.914	4	108.7350	3.665	4	108.5833	2.639	91	108.3112	2.536	192	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:4:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	C(C[5]N[5]O[5]C)(H)3	O[5](C[5]C[5]CH)(C[5]N[5]CC)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|C<4>,3|H<1>}	C(C[5]N[5]O[5]C)(H)3	O[5](C[5]C[5]CH)(C[5]N[5]CC){1|C<4>,2|H<1>}	107.9663	0.561	6	108.2167	0.937	12	108.5833	2.639	91	108.3112	2.536	192	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:4:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	C(C[5]N[5]O[5]C)(H)3	O[5](C[5]C[5]CH)(C[5]N[5]CC)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{2|C<4>,2|H<1>}	C(C[5]N[5]O[5]C)(H)3	O[5](C[5]C[5]CH)(C[5]N[5]CC){1|C<3>,1|C<4>,1|H<1>}	108.4670	1.264	6	108.2167	0.937	12	108.5833	2.639	91	108.3112	2.536	192	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:4:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	C(C[5]N[5]O[5]C)(H)3	O[5](C[5]C[5]HH)(C[5]N[5]CC)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|C<3>,3|H<1>}	C(C[5]N[5]O[5]C)(H)3	O[5](C[5]C[5]HH)(C[5]N[5]CC){1|H<1>,2|C<3>}	108.4562	1.711	8	108.5181	2.857	58	108.5833	2.639	91	108.3112	2.536	192	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:4:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	C(C[5]N[5]O[5]C)(H)3	O[5](C[5]C[5]HH)(C[5]N[5]CC)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|C<4>,3|H<1>}	C(C[5]N[5]O[5]C)(H)3	O[5](C[5]C[5]HH)(C[5]N[5]CC){1|C<3>,1|C<4>,1|H<1>}	108.5444	1.678	46	108.5181	2.857	58	108.5833	2.639	91	108.3112	2.536	192	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:4:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	C(C[5]N[5]O[5]C)(H)3	O[5](C[5]C[5]HH)(C[5]N[5]CC)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{2|C<4>,2|H<1>}	C(C[5]N[5]O[5]C)(H)3	O[5](C[5]C[5]HH)(C[5]N[5]CC){1|C<3>,2|C<4>}	108.3390	2.271	4	108.5181	2.857	58	108.5833	2.639	91	108.3112	2.536	192	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:4:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](N[5]C[5]S)(O[5]C[5])(CH3)2	C(C[5]N[5]O[5]C)(H)3	O[5](C[5]C[5]CH)(C[5]N[5]CC)	C[5](N[5]C[5]S)(O[5]C[5])(CH3)2{2|C<4>,2|H<1>}	C(C[5]N[5]O[5]C)(H)3	O[5](C[5]C[5]CH)(C[5]N[5]CC){1|C<4>,1|H<1>,1|S<4>}	109.0655	0.590	2	109.0655	0.349	2	108.5833	2.639	91	108.3112	2.536	192	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:4:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](N[5]C[5]S)(O[5]C[5])(CH3)2	C(C[5]N[5]O[5]C)(H)3	O[5](C[5]C[5]HH)(C[5]N[5]CC)	C[5](N[5]C[5]S)(O[5]C[5])(CH3)2{1|C<3>,3|H<1>}	C(C[5]N[5]O[5]C)(H)3	O[5](C[5]C[5]HH)(C[5]N[5]CC){1|C<3>,1|H<1>,1|S<4>}	109.4017	2.026	6	109.1326	4.244	10	108.5833	2.639	91	108.3112	2.536	192	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:4:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](N[5]C[5]S)(O[5]C[5])(CH3)2	C(C[5]N[5]O[5]C)(H)3	O[5](C[5]C[5]HH)(C[5]N[5]CC)	C[5](N[5]C[5]S)(O[5]C[5])(CH3)2{1|C<4>,3|H<1>}	C(C[5]N[5]O[5]C)(H)3	O[5](C[5]C[5]HH)(C[5]N[5]CC){1|C<4>,1|H<1>,1|S<4>}	108.7290	2.351	4	109.1326	4.244	10	108.5833	2.639	91	108.3112	2.536	192	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:4:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](N[5]C[6a]C[5])(O[5]C[5])(CH3)2	C(C[5]N[5]O[5]C)(H)3	O[5](C[5]C[5]HH)(C[5]N[5]CC)	C[5](N[5]C[6a]C[5])(O[5]C[5])(CH3)2{2|N<2>,4|H<1>}	C(C[5]N[5]O[5]C)(H)3	O[5](C[5]C[5]HH)(C[5]N[5]CC){1|C<3>,2|H<1>}	108.8515	2.988	2	108.8515	8.925	2	108.5833	2.639	91	108.3112	2.536	192	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:4:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](N[5]C[6a]C[5])(O[5]C[5])(CH3)2	C(C[5]N[5]O[5]C)(H)3	O[5](C[5]C[6a]C[5]H)(C[5]N[5]CC)	C[5](N[5]C[6a]C[5])(O[5]C[5])(CH3)2{1|H<1>,1|O<1>,3|C<3>}	C(C[5]N[5]O[5]C)(H)3	O[5](C[5]C[6a]C[5]H)(C[5]N[5]CC){1|O<1>,3|C<3>}	108.6440	0.314	2	108.6440	0.099	2	108.5833	2.639	91	108.3112	2.536	192	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	4:4:	O[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](O[5]C[5]Mn)(O[5]C[5])(CH3)2	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](O[5]C[5]Mn)(O[5]C[5])(CH3)2{1|C<4>,3|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]HH)(C[5]O[5]CC){1|Mn<4>,1|C<4>,1|H<1>}	110.7695	1.768	4	110.7695	3.125	4	110.7695	3.125	4	108.3112	2.536	192	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	5:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	As[5,5]-5:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CF3)2	C(C[5]C[5,6a]O[5]C)(F)3	O[5](As[5,5]C[5,6a]2O[5]C)(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CF3)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(F)3	O[5](As[5,5]C[5,6a]2O[5]C)(C[5]C[5,6a]CC){1|C<4>,4|C<3>}	107.3276	0.625	8	107.3276	0.391	8	106.9959	0.403	16	107.3336	0.533	44	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	5:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	As[5,5]-5:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CF3)2	C(C[5]C[5,6a]O[5]C)(F)3	O[5](As[5,5]C[5,6a]2O[5]O)(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CF3)2{1|H<1>,2|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(F)3	O[5](As[5,5]C[5,6a]2O[5]O)(C[5]C[5,6a]CC){1|C<4>,4|C<3>}	106.6642	0.469	8	106.6642	0.220	8	106.9959	0.403	16	107.3336	0.533	44	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	5:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	Ge[5,5]-5:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Ge[5,5])(CF3)2	C(C[5]C[5,6a]O[5]C)(F)3	O[5](Ge[5,5]C[5,6a]2Ge[5,5]O[5])(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Ge[5,5])(CF3)2{1|Ge<5>,1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(F)3	O[5](Ge[5,5]C[5,6a]2Ge[5,5]O[5])(C[5]C[5,6a]CC){1|C<4>,2|O<2>,6|C<3>}	107.3431	0.439	8	107.3431	0.193	8	107.5492	0.378	12	107.3336	0.533	44	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	5:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	Ge[5,5]-5:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Ge[5,5])(CF3)2	C(C[5]C[5,6a]O[5]C)(F)3	O[5](Ge[5,5]C[5,6a]2O[5]Fe)(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Ge[5,5])(CF3)2{1|Fe<8>,1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(F)3	O[5](Ge[5,5]C[5,6a]2O[5]Fe)(C[5]C[5,6a]CC){1|C<4>,4|C<3>}	107.9612	0.773	4	107.9612	0.597	4	107.5492	0.378	12	107.3336	0.533	44	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	5:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	P[4,5]-5:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[4,5])(CF3)2	C(C[5]C[5,6a]O[5]C)(F)3	O[5](P[4,5]C[5,6a]C[6a]C[4]O[4])(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[4,5])(CF3)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(F)3	O[5](P[4,5]C[5,6a]C[6a]C[4]O[4])(C[5]C[5,6a]CC){1|C<4>,2|H<1>,4|C<3>}	107.0860	0.828	8	107.0860	0.686	8	107.0860	0.686	8	107.3336	0.533	44	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	5:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	S[4,5]-5:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]S[4,5])(CF3)2	C(C[5]C[5,6a]O[5]C)(F)3	O[5](S[4,5]C[5,6a]C[4]N[4]O)(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]S[4,5])(CF3)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(F)3	O[5](S[4,5]C[5,6a]C[4]N[4]O)(C[5]C[5,6a]CC){1|C<4>,1|H<1>,4|C<3>}	107.7720	0.330	2	107.7720	0.109	2	107.7720	0.109	2	107.3336	0.533	44	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	5:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	Si[5,5]-5:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5,5])(CF3)2	C(C[5]C[5,6a]O[5]C)(F)3	O[5](Si[5,5]C[5,6a]2Si[5,5]O[5])(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5,5])(CF3)2{1|Si<5>,1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(F)3	O[5](Si[5,5]C[5,6a]2Si[5,5]O[5])(C[5]C[5,6a]CC){1|C<4>,2|O<2>,6|C<3>}	108.1630	0.723	4	108.1630	0.523	4	108.1630	0.523	4	107.3336	0.533	44	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	5:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	I[5]-5:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(CH3)2	C(C[5]C[5,6a]O[5]C)(H)3	O[5](I[5]C[5,6a]F3)(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(CH3)2{1|H<1>,2|C<3>,3|F<1>}	C(C[5]C[5,6a]O[5]C)(H)3	O[5](I[5]C[5,6a]F3)(C[5]C[5,6a]CC){2|C<3>}	107.6355	0.207	2	107.6355	0.043	2	107.6355	0.043	2	107.3336	0.533	44	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:1:1:1:	6:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	P[5,5]-6:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(CF3)2	C(C[5]C[5,6a]O[5]C)(F)3	O[5](P[5,5]C[5,6a]2O[5]HH)(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(CF3)2{1|O<2>,3|C<3>,3|H<1>}	C(C[5]C[5,6a]O[5]C)(F)3	O[5](P[5,5]C[5,6a]2O[5]HH)(C[5]C[5,6a]CC){1|C<4>,4|C<3>}	108.0753	0.374	10	108.0753	0.140	10	108.0753	0.140	10	108.0753	0.140	10	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:3:1:1:	4:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(CCC)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]CO)	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(CH3){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]O[5]C)(CCC)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]CO){1|C<4>,1|H<1>,1|O<1>}	108.7510	0.000	1	108.7510	0.000	1	109.6755	1.709	2	109.6755	1.709	2	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:3:1:1:	4:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(CCH)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(CH3){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]C)(CCH)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]CH){1|O<1>,2|H<1>}	110.6000	0.000	1	110.6000	0.000	1	109.6755	1.709	2	109.6755	1.709	2	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:4:1:1:	3:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:F-1:F-1:	I[5,5]-3:C[5]-4:	C[5](C[5,6a]C[5,5,6a]C[6a])(O[5]I[5,5])(CCFF)2	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	O[5](I[5,5]C[5,5,6a]O[5])(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5,5,6a]C[6a])(O[5]I[5,5])(CCFF)2{1|H<1>,1|O<2>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	O[5](I[5,5]C[5,5,6a]O[5])(C[5]C[5,6a]CC){1|C<4>,2|C<3>}	107.0440	1.274	4	107.0440	1.624	4	107.0440	1.624	4	107.4582	1.501	6	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:4:1:1:	3:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:F-1:F-1:	S[5,5]-3:C[5]-4:	C[5](C[5,6a]C[5,5,6a]C[6a])(O[5]S[5,5])(CCFF)2	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	O[5](S[5,5]C[5,5,6a]O[5])(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5,5,6a]C[6a])(O[5]S[5,5])(CCFF)2{1|H<1>,1|O<2>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	O[5](S[5,5]C[5,5,6a]O[5])(C[5]C[5,6a]CC){1|C<4>,2|C<3>}	108.2865	0.759	2	108.2865	0.576	2	108.2865	0.576	2	107.4582	1.501	6	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:4:1:1:	4:2:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:F-1:F-1:	C[5]-4:Se[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Se[5])(CCFF)2	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	O[5](C[5]C[5,6a]CC)(Se[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Se[5])(CCFF)2{1|H<1>,2|C<3>}	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	O[5](C[5]C[5,6a]CC)(Se[5]C[5,6a]){2|C<3>}	106.6010	0.455	4	106.6010	0.207	4	106.6010	0.207	4	106.6010	0.207	4	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:4:1:1:	4:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)2	C(C[5]C[5]O[5]C)(CCHH)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]CN)	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)2{1|C<3>,1|C<4>,1|N<3>}	C(C[5]C[5]O[5]C)(CCHH)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]CN){2|C<3>}	107.3110	0.916	2	107.3110	0.840	2	107.3110	0.840	2	107.2165	1.751	8	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:4:1:1:	4:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	P[5]-4:C[5]-4:	C[5](C[5]C[6a]C[5])(O[5]P[5])(CCHH)2	C(C[5]C[5]O[5]C)(CH3)(H)2	O[5](P[5]C[6a]C[5]S)(C[5]C[5]CC)	C[5](C[5]C[6a]C[5])(O[5]P[5])(CCHH)2{1|S<1>,4|C<3>}	C(C[5]C[5]O[5]C)(CH3)(H)2	O[5](P[5]C[6a]C[5]S)(C[5]C[5]CC){4|C<3>}	106.7040	0.958	4	106.7040	0.917	4	106.7040	0.917	4	107.2165	1.751	8	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:4:1:1:	4:4:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(O[5]C[5])(CCHH)(CH3)	C(C[5]N[5]O[5]C)(CCHH)(H)2	O[5](C[5]C[5]CH)(C[5]N[5]CC)	C[5](N[5]C[5]C)(O[5]C[5])(CCHH)(CH3){1|C<4>,3|H<1>}	C(C[5]N[5]O[5]C)(CCHH)(H)2	O[5](C[5]C[5]CH)(C[5]N[5]CC){1|C<3>,2|H<1>}	109.8590	0.000	1	109.8590	0.000	1	108.1470	5.862	2	107.2165	1.751	8	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:4:1:1:	4:4:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](N[5]C[6a]C[5])(O[5]C[5])(CCHH)(CCl3)	C(C[5]N[5]O[5]C)(CH3)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]CC)	C[5](N[5]C[6a]C[5])(O[5]C[5])(CCHH)(CCl3){2|C<3>,4|H<1>}	C(C[5]N[5]O[5]C)(CH3)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]CC){1|C<3>,2|H<1>}	106.4350	0.000	1	106.4350	0.000	1	108.1470	5.862	2	107.2165	1.751	8	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:4:1:1:	5:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:F-1:F-1:	As[5,5]-5:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CCFF)2	C(C[5]C[5,6a]O[5]C)(CCFF)(F)2	O[5](As[5,5]C[5,6a]2O[5]C)(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CCFF)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(CCFF)(F)2	O[5](As[5,5]C[5,6a]2O[5]C)(C[5]C[5,6a]CC){1|C<4>,4|C<3>}	106.9952	1.348	8	106.9952	1.818	8	107.3297	0.849	26	107.6931	1.144	76	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:4:1:1:	5:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:F-1:F-1:	As[5,5]-5:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CCFF)2	C(C[5]C[5,6a]O[5]C)(CCFF)(F)2	O[5](As[5,5]C[5,6a]2O[5]I)(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CCFF)2{1|H<1>,1|I<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(CCFF)(F)2	O[5](As[5,5]C[5,6a]2O[5]I)(C[5]C[5,6a]CC){1|C<4>,4|C<3>}	107.5180	0.437	2	107.5180	0.191	2	107.3297	0.849	26	107.6931	1.144	76	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:4:1:1:	5:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:F-1:F-1:	As[5,5]-5:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CCFF)2	C(C[5]C[5,6a]O[5]C)(CCFF)(F)2	O[5](As[5,5]C[5,6a]2O[5]O)(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CCFF)2{1|H<1>,2|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(CCFF)(F)2	O[5](As[5,5]C[5,6a]2O[5]O)(C[5]C[5,6a]CC){1|C<4>,4|C<3>}	107.6895	0.549	4	107.6895	0.302	4	107.3297	0.849	26	107.6931	1.144	76	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:4:1:1:	5:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:F-1:F-1:	As[5,5]-5:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CCFF)2	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	O[5](As[5,5]C[5,6a]2O[5]C)(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CCFF)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	O[5](As[5,5]C[5,6a]2O[5]C)(C[5]C[5,6a]CC){1|C<4>,4|C<3>}	107.4204	0.906	8	107.4204	0.821	8	107.3297	0.849	26	107.6931	1.144	76	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:4:1:1:	5:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:F-1:F-1:	As[5,5]-5:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CCFF)2	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	O[5](As[5,5]C[5,6a]2O[5]O)(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]As[5,5])(CCFF)2{1|H<1>,2|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	O[5](As[5,5]C[5,6a]2O[5]O)(C[5]C[5,6a]CC){1|C<4>,4|C<3>}	107.3635	0.176	4	107.3635	0.031	4	107.3297	0.849	26	107.6931	1.144	76	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:4:1:1:	5:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:F-1:F-1:	P[5,5]-5:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(CCFF)2	C(C[5]C[5,6a]O[5]C)(CCFF)(F)2	O[5](P[5,5]C[5,6a]2O[5]C)(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(CCFF)2{1|C<1>,1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(CCFF)(F)2	O[5](P[5,5]C[5,6a]2O[5]C)(C[5]C[5,6a]CC){1|C<4>,4|C<3>}	108.6105	0.132	2	108.1828	1.851	6	107.8820	1.212	50	107.6931	1.144	76	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:4:1:1:	5:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:F-1:F-1:	P[5,5]-5:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(CCFF)2	C(C[5]C[5,6a]O[5]C)(CCFF)(F)2	O[5](P[5,5]C[5,6a]2O[5]C)(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(CCFF)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(CCFF)(F)2	O[5](P[5,5]C[5,6a]2O[5]C)(C[5]C[5,6a]CC){1|C<4>,4|C<3>}	107.9690	1.702	4	108.1828	1.851	6	107.8820	1.212	50	107.6931	1.144	76	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:4:1:1:	5:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:F-1:F-1:	P[5,5]-5:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(CCFF)2	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	O[5](P[5,5]C[5,6a]2C[6a]O[5])(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(CCFF)2{1|H<1>,1|O<2>,4|C<3>}	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	O[5](P[5,5]C[5,6a]2C[6a]O[5])(C[5]C[5,6a]CC){1|C<4>,6|C<3>}	107.8077	1.062	36	107.8077	1.128	36	107.8820	1.212	50	107.6931	1.144	76	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:2:4:4:	4:4:1:1:	5:4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:F-1:F-1:	P[5,5]-5:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(CCFF)2	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	O[5](P[5,5]C[5,6a]2O[5]C)(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(CCFF)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]O[5]C)(CF3)(F)2	O[5](P[5,5]C[5,6a]2O[5]C)(C[5]C[5,6a]CC){1|C<4>,4|C<3>}	107.9909	1.184	8	107.9909	1.402	8	107.8820	1.212	50	107.6931	1.144	76	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:3:2:4:	4:1:1:1:	4:4:	C[5a]-3:N[5]-3:O[5]-2:C-4:	C[5]-4:Cl-1:Cl-1:Cl-1:	C[5]-4:C[5]-4:	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(O[5]C[5])(CCl3)	C(C[5]C[5a]N[5]O[5])(Cl)3	O[5](C[5]C[5a]N[5]C)(C[5]C[5]HH)	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(O[5]C[5])(CCl3){1|C<4>,4|C<3>,4|H<1>}	C(C[5]C[5a]N[5]O[5])(Cl)3	O[5](C[5]C[5a]N[5]C)(C[5]C[5]HH){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	104.0800	0.035	2	104.0800	0.001	2	104.0800	0.001	2	106.4078	3.073	12	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:3:2:4:	4:1:1:1:	4:4:	C[5a]-3:N[5]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5a]C[5a]N[5a])(N[5]C[5]C)(O[5]C[5])(CH3)	C(C[5]C[5a]N[5]O[5])(H)3	O[5](C[5]C[5a]N[5]C)(C[5]C[5]HH)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]C)(O[5]C[5])(CH3){4|C<3>,4|H<1>}	C(C[5]C[5a]N[5]O[5])(H)3	O[5](C[5]C[5a]N[5]C)(C[5]C[5]HH){1|H<1>,1|N<3>,3|C<3>}	107.3520	0.000	1	107.3520	0.000	1	107.3520	0.000	1	106.4078	3.073	12	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:3:2:4:	4:1:1:1:	4:4:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:B[5,5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]Rh)(O[5]B[5,5])(CF3)	C(C[5]C[6a]C[5]O[5])(F)3	O[5](C[5]C[6a]C[5]C)(B[5,5]O[5]3)	C[5](C[6a]C[6a]2)(C[5]O[5]Rh)(O[5]B[5,5])(CF3){2|C<3>,2|H<1>,2|O<2>}	C(C[5]C[6a]C[5]O[5])(F)3	O[5](C[5]C[6a]C[5]C)(B[5,5]O[5]3){1|Rh<4>,2|C<3>,2|C<4>}	105.3310	0.000	1	105.3310	0.000	1	105.3310	0.000	1	106.4078	3.073	12	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:3:2:4:	4:1:1:1:	4:4:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]C)(O[5]C[5])(CF3)	C(C[5]C[6a]C[5]O[5])(F)3	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5]C)	C[5](C[6a]C[6a]2)(C[5]O[5]C)(O[5]C[5])(CF3){1|C<4>,2|H<1>,3|C<3>}	C(C[5]C[6a]C[5]O[5])(F)3	O[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5]C){5|C<3>}	104.6815	0.383	2	104.6815	0.146	2	104.6815	0.146	2	106.4078	3.073	12	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:3:2:4:	4:1:1:1:	4:4:	C[6a]-3:N[5]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3)	C(C[5]C[6a]N[5]O[5])(H)3	O[5](C[5]C[6a]N[5]C)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C(C[5]C[6a]N[5]O[5])(H)3	O[5](C[5]C[6a]N[5]C)(C[5]C[5]CH){2|H<1>,3|C<3>}	108.0800	0.000	1	108.0800	0.000	1	107.7810	0.873	5	106.4078	3.073	12	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:3:2:4:	4:1:1:1:	4:4:	C[6a]-3:N[5]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3)	C(C[5]C[6a]N[5]O[5])(H)3	O[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3){1|C<4>,3|C<3>,4|H<1>}	C(C[5]C[6a]N[5]O[5])(H)3	O[5](C[5]C[6a]N[5]C)(C[5]C[5]HH){1|H<1>,2|C<3>,2|C<4>}	108.7960	0.000	1	107.7062	1.126	4	107.7810	0.873	5	106.4078	3.073	12	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:3:2:4:	4:1:1:1:	4:4:	C[6a]-3:N[5]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3)	C(C[5]C[6a]N[5]O[5])(H)3	O[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3){1|N<3>,3|C<3>,4|H<1>}	C(C[5]C[6a]N[5]O[5])(H)3	O[5](C[5]C[6a]N[5]C)(C[5]C[5]HH){1|H<1>,4|C<3>}	106.7960	0.001	2	107.7062	1.126	4	107.7810	0.873	5	106.4078	3.073	12	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:3:2:4:	4:1:1:1:	4:4:	C[6a]-3:N[5]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3)	C(C[5]C[6a]N[5]O[5])(H)3	O[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3){4|C<3>,4|H<1>}	C(C[5]C[6a]N[5]O[5])(H)3	O[5](C[5]C[6a]N[5]C)(C[5]C[5]HH){1|C<4>,1|H<1>,3|C<3>}	108.4370	0.000	1	107.7062	1.126	4	107.7810	0.873	5	106.4078	3.073	12	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:3:2:4:	4:1:1:1:	4:4:	N[5,5]-3:C[6a]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(CH3)	C(C[5]N[5,5]C[6a]O[5])(H)3	O[5](C[5]N[5,5]C[6a]C)(C[5]C[5,5]HH)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(CH3){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C(C[5]N[5,5]C[6a]O[5])(H)3	O[5](C[5]N[5,5]C[6a]C)(C[5]C[5,5]HH){1|C<4>,1|H<1>,3|C<3>}	107.7820	0.000	1	107.7820	0.000	1	107.7820	0.000	1	106.4078	3.073	12	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:3:2:4:	4:1:1:1:	5:4:	C[5,6a]-3:C[6a]-3:O[5]-2:C-4:	C[5]-4:F-1:F-1:F-1:	As[5]-5:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]As[5])(CF3)	C(C[5]C[5,6a]C[6a]O[5])(F)3	O[5](As[5]C[5,6a]C[6a]3)(C[5]C[5,6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]As[5])(CF3){3|H<1>,7|C<3>}	C(C[5]C[5,6a]C[6a]O[5])(F)3	O[5](As[5]C[5,6a]C[6a]3)(C[5]C[5,6a]C[6a]C){10|C<3>}	105.9920	0.000	1	105.9920	0.000	1	105.9920	0.000	1	106.0065	0.000	2	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:3:2:4:	4:1:1:1:	5:4:	C[5,6a]-3:C[6a]-3:O[5]-2:C-4:	C[5]-4:F-1:F-1:F-1:	P[5]-5:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(CF3)	C(C[5]C[5,6a]C[6a]O[5])(F)3	O[5](P[5]C[5,6a]C[6a]3)(C[5]C[5,6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(CF3){3|H<1>,7|C<3>}	C(C[5]C[5,6a]C[6a]O[5])(F)3	O[5](P[5]C[5,6a]C[6a]3)(C[5]C[5,6a]C[6a]C){10|C<3>}	106.0210	0.000	1	106.0210	0.000	1	106.0210	0.000	1	106.0065	0.000	2	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:3:4:2:	4:3:1:1:	4:4:	C[6a]-3:C[5]-3:C-4:O[5]-2:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]O[5]O)(CC[6a]HH)(O[5]C[5])	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]N[6a])(H)2	O[5](C[5]C[6a]C[5]C)(C[5]O[5]CH)	C[5](C[6a]C[6a]2)(C[5]O[5]O)(CC[6a]HH)(O[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]N[6a])(H)2	O[5](C[5]C[6a]C[5]C)(C[5]O[5]CH){1|O<1>,2|C<3>}	111.4180	0.371	2	111.4180	0.137	2	111.4180	0.137	2	109.9490	6.543	3	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:3:4:2:	4:3:1:1:	4:4:	C[6a]-3:N[5]-3:C-4:O[5]-2:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(N[5]C[5]C)(CC[6a]HH)(O[5]C[5])	C(C[5]C[6a]N[5]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(CC[6a]HH)(O[5]C[5]){3|C<3>,5|H<1>}	C(C[5]C[6a]N[5]O[5])(C[6a]C[6a]2)(H)2	O[5](C[5]C[6a]N[5]C)(C[5]C[5]HH){1|H<1>,4|C<3>}	107.0110	0.000	1	107.0110	0.000	1	107.0110	0.000	1	109.9490	6.543	3	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:4:2:1:	4:3:1:1:	4:4:	N[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(CC[6a]HH)(O[5]C[5])(H)	C(C[5]N[5]O[5]H)(C[6a]C[6a]2)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](N[5]C[5]C)(CC[6a]HH)(O[5]C[5])(H){1|C<4>,3|H<1>}	C(C[5]N[5]O[5]H)(C[6a]C[6a]2)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|C<3>,1|C<4>,1|H<1>}	111.0675	2.928	2	111.0675	8.574	2	110.3547	3.551	4	110.3547	3.551	4	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:4:2:1:	4:3:1:1:	4:4:	N[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](N[5]C[5]C)(CC[6a]HH)(O[5]C[5])(H)	C(C[5]N[5]O[5]H)(C[6a]C[6a]2)(H)2	O[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)	C[5](N[5]C[5]C)(CC[6a]HH)(O[5]C[5])(H){1|C<3>,3|H<1>}	C(C[5]N[5]O[5]H)(C[6a]C[6a]2)(H)2	O[5](C[5]C[6a]C[5]H)(C[5]N[5]CH){2|H<1>,3|C<3>}	109.7960	0.000	1	109.7960	0.000	1	110.3547	3.551	4	110.3547	3.551	4	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:4:2:1:	4:3:1:1:	4:4:	N[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](N[5]C[5]S)(CC[6a]HH)(O[5]C[5])(H)	C(C[5]N[5]O[5]H)(C[6a]C[6a]2)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]CH)	C[5](N[5]C[5]S)(CC[6a]HH)(O[5]C[5])(H){1|C<4>,3|H<1>}	C(C[5]N[5]O[5]H)(C[6a]C[6a]2)(H)2	O[5](C[5]C[5]HH)(C[5]N[5]CH){1|C<4>,1|H<1>,1|S<4>}	109.4880	0.000	1	109.4880	0.000	1	110.3547	3.551	4	110.3547	3.551	4	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:4:2:1:	4:3:2:1:	4:4:	C[5,6a]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HO)(O[5]C[5])(H)	C(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(OH)(H)	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]CH)	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]HO)(O[5]C[5])(H){1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(OH)(H)	O[5](C[5]C[5,6a]CC)(C[5]C[5,6a]CH){2|C<3>}	109.9590	0.000	1	109.9590	0.000	1	109.9590	0.000	1	109.9590	0.000	1	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:4:2:1:	4:3:3:1:	4:4:	N[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C-3:H-1:	C[5]-4:C[5]-4:	C[5](N[5]C[5]S)(CC[6a]CH)(O[5]C[5])(H)	C(C[5]N[5]O[5]H)(C[6a]C[6a]2)(COO)(H)	O[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)	C[5](N[5]C[5]S)(CC[6a]CH)(O[5]C[5])(H){1|C<3>,3|H<1>}	C(C[5]N[5]O[5]H)(C[6a]C[6a]2)(COO)(H)	O[5](C[5]C[6a]C[5]H)(C[5]N[5]CH){1|S<4>,2|C<3>,2|H<1>}	110.7270	0.000	1	110.7270	0.000	1	110.7270	0.000	1	110.7270	0.000	1	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:4:2:1:	4:3:4:3:	4:3:	C[5,6a]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C-4:C-3:	C[5]-4:N[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]CC)(O[5]N[5])(H)	C(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(CCHH)(COO)	O[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]CC)(O[5]N[5])(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)(CCHH)(COO)	O[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C){2|C<3>}	110.3720	0.000	1	110.3720	0.000	1	110.3720	0.000	1	110.3720	0.000	1	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:4:2:2:	3:4:1:1:	4:4:	C[6a]-3:C-4:O[5]-2:O[5]-2:	N[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(CN[5a]HH)(O[5]C[5])2	C(N[5a]C[5a]N[5a])(C[5]C[6a]O[5]2)(H)2	O[5](C[5]C[6a]O[5]C)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(CN[5a]HH)(O[5]C[5])2{1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C(N[5a]C[5a]N[5a])(C[5]C[6a]O[5]2)(H)2	O[5](C[5]C[6a]O[5]C)(C[5]C[5]CH){2|C<3>,2|H<1>}	108.1940	0.000	1	108.1940	0.000	1	109.2850	4.946	4	109.2850	4.946	4	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:4:2:2:	3:4:1:1:	4:4:	C[6a]-3:C-4:O[5]-2:O[5]-2:	N[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(CN[5a]HH)(O[5]C[5])2	C(N[5a]C[5a]N[5a])(C[5]C[6a]O[5]2)(H)2	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(CN[5a]HH)(O[5]C[5])2{1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C(N[5a]C[5a]N[5a])(C[5]C[6a]O[5]2)(H)2	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH){1|C<4>,1|H<1>,2|C<3>}	111.4650	0.000	1	109.6487	6.626	3	109.2850	4.946	4	109.2850	4.946	4	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:4:2:2:	3:4:1:1:	4:4:	C[6a]-3:C-4:O[5]-2:O[5]-2:	N[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(CN[5a]HH)(O[5]C[5])2	C(N[5a]C[5a]N[5a])(C[5]C[6a]O[5]2)(H)2	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(CN[5a]HH)(O[5]C[5])2{1|Cl<1>,2|C<3>,5|H<1>}	C(N[5a]C[5a]N[5a])(C[5]C[6a]O[5]2)(H)2	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH){2|C<3>,2|H<1>}	108.7405	2.881	2	109.6487	6.626	3	109.2850	4.946	4	109.2850	4.946	4	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:4:2:2:	4:3:1:1:	4:4:	C[6a]-3:C-4:O[5]-2:O[5]-2:	C[5]-4:N[5a]-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(CN[5a]HH)(O[5]C[5])2	C(C[5]C[6a]O[5]2)(N[5a]C[5a]2)(H)2	O[5](C[5]C[6a]O[5]C)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(CN[5a]HH)(O[5]C[5])2{1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C(C[5]C[6a]O[5]2)(N[5a]C[5a]2)(H)2	O[5](C[5]C[6a]O[5]C)(C[5]C[5]CH){2|C<3>,2|H<1>}	110.0776	1.188	5	110.0776	1.412	5	109.4797	1.256	10	109.4797	1.256	10	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:4:2:2:	4:3:1:1:	4:4:	C[6a]-3:C-4:O[5]-2:O[5]-2:	C[5]-4:N[5a]-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(CN[5a]HH)(O[5]C[5])2	C(C[5]C[6a]O[5]2)(N[5a]C[5a]2)(H)2	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(CN[5a]HH)(O[5]C[5])2{1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C(C[5]C[6a]O[5]2)(N[5a]C[5a]2)(H)2	O[5](C[5]C[6a]O[5]C)(C[5]C[5]HH){1|C<4>,1|H<1>,2|C<3>}	108.8818	0.721	5	108.8818	0.519	5	109.4797	1.256	10	109.4797	1.256	10	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:4:2:3:	4:3:1:1:	4:4:	C[5]-3:C-4:O[5]-2:C-3:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]C)(CC[6a]HH)(O[5]C[5])(COO)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)	C[5](C[5]C[5]C)(CC[6a]HH)(O[5]C[5])(COO){1|H<1>,2|C<3>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){4|C<3>}	108.6180	0.000	1	108.6180	0.000	1	108.6180	0.000	1	110.2710	5.465	2	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:4:2:3:	4:3:1:1:	4:4:	C[5]-3:C-4:O[5]-2:N-3:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5]O)(CC[6a]HH)(O[5]C[5])(NCH)	C(C[5]C[5]O[5]N)(C[6a]C[6a]2)(H)2	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CN)	C[5](C[5]N[5]O)(CC[6a]HH)(O[5]C[5])(NCH){1|C<3>,1|H<1>,1|S<4>}	C(C[5]C[5]O[5]N)(C[6a]C[6a]2)(H)2	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CN){1|O<1>,1|S<4>,2|C<3>}	111.9240	0.000	1	111.9240	0.000	1	111.9240	0.000	1	110.2710	5.465	2	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:4:2:3:	4:3:4:1:	4:4:	C[5]-3:C-4:O[5]-2:C-3:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O)(CC[6a]CH)(O[5]C[5])(COO)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCHH)(H)	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]O)(CC[6a]CH)(O[5]C[5])(COO){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCHH)(H)	O[5](C[5]C[5]CC)(C[5]C[5]CH){1|O<1>,2|H<1>}	112.4070	1.586	3	112.4070	2.516	3	112.4070	2.516	3	112.4070	2.516	3	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:4:2:4:	4:1:1:1:	4:3:	N[5]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HH)(O[5]N[5])(CH3)	C(C[5]C[5]N[5]O[5])(H)3	O[5](C[5]C[5]N[5]C)(N[5]C[6a]C[5])	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HH)(O[5]N[5])(CH3){1|O<1>,3|C<3>,3|C<4>}	C(C[5]C[5]N[5]O[5])(H)3	O[5](C[5]C[5]N[5]C)(N[5]C[6a]C[5]){2|C<4>,2|H<1>,4|C<3>}	106.4150	0.000	1	106.4150	0.000	1	106.4150	0.000	1	106.4150	0.000	1	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:4:2:4:	4:1:1:1:	4:4:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:I-1:	C[5]-4:P[5]-4:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]P[5])(CHHI)	C(C[5]C[6a]C[5]O[5])(H)2(I)	O[5](C[5]C[6a]C[5]C)(P[5]N[5]OO)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]P[5])(CHHI){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C(C[5]C[6a]C[5]O[5])(H)2(I)	O[5](C[5]C[6a]C[5]C)(P[5]N[5]OO){1|C<4>,2|C<3>,2|H<1>}	106.9970	0.000	1	106.9970	0.000	1	106.9970	0.000	1	106.9970	0.000	1	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:4:2:4:	4:2:1:1:	4:4:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:Se-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CSeHH)	C(C[5]C[6a]C[5]O[5])(SeC[6a])(H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CSeHH){1|C<4>,1|F<1>,2|C<3>,4|H<1>}	C(C[5]C[6a]C[5]O[5])(SeC[6a])(H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	107.1810	0.000	1	107.1810	0.000	1	107.1810	0.000	1	107.1810	0.000	1	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:4:2:4:	4:3:1:1:	4:4:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CHHN)	C(C[5]C[6a]C[5]O[5])(NHS)(H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CHHN){2|C<3>,2|C<4>,4|H<1>}	C(C[5]C[6a]C[5]O[5])(NHS)(H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	107.3760	0.000	1	107.3760	0.000	1	107.3760	0.000	1	107.3760	0.000	1	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:4:4:2:	4:3:1:1:	4:4:	C[6a]-3:C[5]-4:C-4:O[5]-2:	C[5]-4:C[6a]-3:Br-1:H-1:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CC[6a]BrH)(O[5]C[5])	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(Br)(H)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CC[6a]BrH)(O[5]C[5]){1|C<4>,2|C<3>,5|H<1>}	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(Br)(H)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	105.8760	0.000	1	107.9530	3.267	3	107.9530	3.267	3	107.3193	3.784	4	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:4:4:2:	4:3:1:1:	4:4:	C[6a]-3:C[5]-4:C-4:O[5]-2:	C[5]-4:C[6a]-3:Br-1:H-1:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CC[6a]BrH)(O[5]C[5])	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(Br)(H)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CC[6a]BrH)(O[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(Br)(H)	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	108.9915	0.250	2	107.9530	3.267	3	107.9530	3.267	3	107.3193	3.784	4	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	3:4:4:2:	4:3:1:1:	4:4:	C[6a]-3:C[5]-4:C-4:O[5]-2:	C[5]-4:N[5a]-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CN[5a]HH)(O[5]C[5])	C(C[5]C[6a]C[5]O[5])(N[5a]C[5a]N[5a])(H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CN[5a]HH)(O[5]C[5]){1|C<4>,1|F<1>,2|C<3>,4|H<1>}	C(C[5]C[6a]C[5]O[5])(N[5a]C[5a]N[5a])(H)2	O[5](C[5]C[6a]C[5]C)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	105.4180	0.000	1	105.4180	0.000	1	105.4180	0.000	1	107.3193	3.784	4	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:2:1:	3:3:4:1:	4:4:	C-4:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:	C[5](CC[6a]2H)(O[5]C[5])2(H)	C(C[6a]C[6a]2)2(C[5]O[5]2H)(H)	O[5](C[5]C[5]HH)(C[5]O[5]CH)	C[5](CC[6a]2H)(O[5]C[5])2(H){4|H<1>}	C(C[6a]C[6a]2)2(C[5]O[5]2H)(H)	O[5](C[5]C[5]HH)(C[5]O[5]CH){2|H<1>}	110.4862	1.635	4	110.4862	2.672	4	110.4862	2.672	4	110.4862	2.672	4	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:2:1:	3:3:4:4:	4:4:	C-4:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](CC[6a]2C)(O[5]C[5])2(H)	C(C[6a]C[6a]2)2(C[5]O[5]2H)(CH3)	O[5](C[5]C[6a]C[5]C)(C[5]O[5]CH)	C[5](CC[6a]2C)(O[5]C[5])2(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6a]C[6a]2)2(C[5]O[5]2H)(CH3)	O[5](C[5]C[6a]C[5]C)(C[5]O[5]CH){1|H<1>,3|C<3>}	112.7190	0.000	1	112.7190	0.000	1	112.3900	0.216	2	112.3900	0.216	2	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:2:1:	3:3:4:4:	4:4:	C-4:O[5]-2:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:C[5]-4:	C[5](CC[6a]2C)(O[5]C[5])2(H)	C(C[6a]C[6a]2)2(C[5]O[5]2H)(CH3)	O[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)	C[5](CC[6a]2C)(O[5]C[5])2(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6a]C[6a]2)2(C[5]O[5]2H)(CH3)	O[5](C[5]C[6a]C[5]H)(C[5]O[5]CH){1|C<4>,3|C<3>}	112.0610	0.000	1	112.0610	0.000	1	112.3900	0.216	2	112.3900	0.216	2	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:2:1:	3:4:1:1:	4:4:	C-4:O[5]-2:O[5]-2:H-1:	N[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](CN[5a]HH)(O[5]C[5])2(H)	C(N[5a]C[5a,6a]C[5a])(C[5]O[5]2H)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CH)	C[5](CN[5a]HH)(O[5]C[5])2(H){4|H<1>}	C(N[5a]C[5a,6a]C[5a])(C[5]O[5]2H)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CH){2|H<1>}	111.2321	1.105	10	111.2321	1.221	10	111.2321	1.221	10	111.2321	1.221	10	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:2:4:	3:4:1:1:	4:4:	C-4:O[5]-2:O[5]-2:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](CC[6a]HH)(O[5]C[5])2(CH3)	C(C[6a]C[6a]2)(C[5]O[5]2C)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](CC[6a]HH)(O[5]C[5])2(CH3){4|H<1>}	C(C[6a]C[6a]2)(C[5]O[5]2C)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CC){2|H<1>}	110.7116	4.574	8	110.7116	20.921	8	110.7116	20.921	8	110.7116	20.921	8	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:2:4:	4:1:1:1:	4:4:	C-4:O[5]-2:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](CC[3,5]HH)(O[5]C[5])2(CH3)	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](CC[3,5]HH)(O[5]C[5])2(CH3){4|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]HH)(C[5]O[5]CC){2|H<1>}	109.1560	1.792	4	109.1560	3.212	4	107.6912	19.975	12	108.8079	11.569	24	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:2:4:	4:1:1:1:	4:4:	C-4:O[5]-2:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](CC[6a]HH)(O[5]C[5])2(CH3)	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](CC[6a]HH)(O[5]C[5])2(CH3){4|H<1>}	C(C[5]O[5]2C)(H)3	O[5](C[5]C[5]HH)(C[5]O[5]CC){2|H<1>}	106.9588	5.308	8	106.9588	28.174	8	107.6912	19.975	12	108.8079	11.569	24	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:2:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5,6]C[5]H)(O[5]C[5])2(CH3)	C(C[5]C[5]O[5]2)(H)3	O[5](C[5]C[5]O[5]C)(C[5]C[5]HH)	C[5](C[5]C[5,6]C[5]H)(O[5]C[5])2(CH3){4|C<4>,6|H<1>}	C(C[5]C[5]O[5]2)(H)3	O[5](C[5]C[5]O[5]C)(C[5]C[5]HH){2|C<4>,3|H<1>}	109.7370	2.116	2	109.7370	4.476	2	110.2974	1.785	8	108.8079	11.569	24	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:2:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]2H)(O[5]C[5])2(CH3)	C(C[5]C[5]O[5]2)(H)3	O[5](C[5]C[5]O[5]C)(C[5]C[5]HH)	C[5](C[5]C[5]2H)(O[5]C[5])2(CH3){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C(C[5]C[5]O[5]2)(H)3	O[5](C[5]C[5]O[5]C)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	110.6848	1.019	4	110.6848	1.038	4	110.2974	1.785	8	108.8079	11.569	24	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:2:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]2C)(O[5]C[5])2(CH3)	C(C[5]C[5]O[5]2)(H)3	O[5](C[5]C[5]O[5]C)(C[5]C[5]HH)	C[5](C[5]O[5]2C)(O[5]C[5])2(CH3){2|C<4>,4|H<1>}	C(C[5]C[5]O[5]2)(H)3	O[5](C[5]C[5]O[5]C)(C[5]C[5]HH){1|C<4>,2|H<1>,2|O<2>}	110.0830	1.894	2	110.0830	3.586	2	110.2974	1.785	8	108.8079	11.569	24	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:2:4:	4:1:1:1:	4:4:	C[6]-4:O[5]-2:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[6]C[6]2C)(O[5]C[5])2(CH3)	C(C[5]C[6]O[5]2)(H)3	O[5](C[5]C[6]O[5]C)(C[5]C[5]HH)	C[5](C[6]C[6]2C)(O[5]C[5])2(CH3){1|C<3>,1|C<4>,8|H<1>}	C(C[5]C[6]O[5]2)(H)3	O[5](C[5]C[6]O[5]C)(C[5]C[5]HH){2|H<1>,3|C<4>}	109.1225	0.508	2	109.1225	0.258	2	109.1790	0.201	4	108.8079	11.569	24	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:2:4:	4:1:1:1:	4:4:	C[6]-4:O[5]-2:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[6]C[6]2Cr)(O[5]C[5])2(CH3)	C(C[5]C[6]O[5]2)(H)3	O[5](C[5]C[6]O[5]C)(C[5]C[5]HH)	C[5](C[6]C[6]2Cr)(O[5]C[5])2(CH3){2|C<4>,6|H<1>}	C(C[5]C[6]O[5]2)(H)3	O[5](C[5]C[6]O[5]C)(C[5]C[5]HH){1|Cr<9>,2|C<4>,2|H<1>}	109.2355	0.575	2	109.2355	0.330	2	109.1790	0.201	4	108.8079	11.569	24	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:2:4:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:O-2:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO)	C(C[5]C[5]O[5]O)(OC)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]CO)	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]O)(OC)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]CO){2|H<1>,2|O<2>}	107.8950	1.530	3	107.8950	2.342	3	107.2266	2.043	12	107.2266	2.043	12	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:2:4:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:O-2:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO)	C(C[5]C[5]O[5]O)(OH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]CO)	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO){1|C<4>,1|I<1>,2|H<1>}	C(C[5]C[5]O[5]O)(OH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]CO){1|I<1>,1|O<2>,2|H<1>}	107.2260	0.000	1	106.9320	2.234	8	107.2266	2.043	12	107.2266	2.043	12	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:2:4:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:O-2:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO)	C(C[5]C[5]O[5]O)(OH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]CO)	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]O)(OH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]CO){2|H<1>,2|O<2>}	106.8900	1.609	7	106.9320	2.234	8	107.2266	2.043	12	107.2266	2.043	12	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:2:4:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:O-2:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO)	C(C[5]C[5]O[5]O)(OH)(H)2	O[5](C[5]C[5]CO)(C[5]C[5]HH)	C[5](C[5]C[5]HO)(O[5]C[5])(OC[6])(CHHO){1|O<2>,3|H<1>}	C(C[5]C[5]O[5]O)(OH)(H)2	O[5](C[5]C[5]CO)(C[5]C[5]HH){2|H<1>,2|O<2>}	107.5780	0.000	1	107.5780	0.000	1	107.2266	2.043	12	107.2266	2.043	12	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:2:4:	4:4:1:1:	4:4:	C-4:O[5]-2:O[5]-2:C-4:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](CC[3,5]HH)(O[5]C[5])2(CH3)	C(C[3,5]C[3,5]C[3]C[5])(C[5]O[5]2C)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CC)	C[5](CC[3,5]HH)(O[5]C[5])2(CH3){4|H<1>}	C(C[3,5]C[3,5]C[3]C[5])(C[5]O[5]2C)(H)2	O[5](C[5]C[5]HH)(C[5]O[5]CC){2|H<1>}	109.0670	3.014	4	109.0670	9.083	4	109.0670	9.083	4	108.6980	7.493	5	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:2:4:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:O-2:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(OC[6])(CCHH)	C(C[5]C[5]O[5]O)(CCHH)(H)2	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]CO)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(OC[6])(CCHH){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]O)(CCHH)(H)2	O[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]CO){1|C<4>,2|O<2>,4|H<1>}	107.2220	0.000	1	107.2220	0.000	1	107.2220	0.000	1	108.6980	7.493	5	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:2:4:	4:4:4:2:	4:4:	C[5]-4:O-2:O[5]-2:C-4:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(OC[5,3x6])(O[5]C[5])(CCCO)	C(C[5]C[5]O[5]O)(CH3)2(OH)	O[5](C[5]C[5]CC)(C[5]C[5]CO)	C[5](C[5]C[5]HH)(OC[5,3x6])(O[5]C[5])(CCCO){1|H<1>,3|C<4>}	C(C[5]C[5]O[5]O)(CH3)2(OH)	O[5](C[5]C[5]CC)(C[5]C[5]CO){1|C<4>,3|H<1>}	107.6960	0.000	1	107.6960	0.000	1	107.6960	0.000	1	107.6960	0.000	1	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:3:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,6a]C[5]O)(O[5]C[5,5])(C[5]C[5]H)(CH3)	C(C[5]C[5]2O[5])(H)3	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[5]O)(O[5]C[5,5])(C[5]C[5]H)(CH3){1|N<3>,1|O<1>,5|C<3>}	C(C[5]C[5]2O[5])(H)3	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]2C){1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	108.8550	0.000	1	108.8550	0.000	1	108.8550	0.000	1	108.8550	0.000	1	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:3:4:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-3:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CN[5]O)(CHHO)	C(C[5]C[5]O[5]C)(OH)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CN[5]O)(CHHO){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]C)(OH)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]CH){4|H<1>}	108.5700	0.000	1	108.5700	0.000	1	108.5700	0.000	1	108.5700	0.000	1	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:3:4:	4:4:1:1:	4:2:	C[5]-4:O[5]-2:C-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:	C[5](C[5]C[5]HH)(O[5]O[5])(CN[5]O)(CCHH)	C(C[5]C[5]O[5]C)(CH3)(H)2	O[5](C[5]C[5]CC)(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]O[5])(CN[5]O)(CCHH){1|C<3>,1|C<4>}	C(C[5]C[5]O[5]C)(CH3)(H)2	O[5](C[5]C[5]CC)(O[5]C[5]){1|C<3>,1|C<4>,2|H<1>}	102.9160	0.000	1	102.9160	0.000	1	102.9160	0.000	1	102.9160	0.000	1	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	3:4:1:1:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5a]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]N[5,5])(CC[5a]HH)(H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	O[5](N[5,5]C[5,5]C[5,6])(C[5]C[5]CH)	C[5](C[5]C[5,5]HH)(O[5]N[5,5])(CC[5a]HH)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	O[5](N[5,5]C[5,5]C[5,6])(C[5]C[5]CH){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	107.0630	0.000	1	107.0630	0.000	1	107.0630	0.000	1	107.0630	0.000	1	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	3:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CC)(O[5]C[5])(CC[6]HH)(H)	C(C[6]C[5,6]C[6])(C[5]C[5]O[5]H)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]CC)(O[5]C[5])(CC[6]HH)(H){1|H<1>,3|C<4>}	C(C[6]C[5,6]C[6])(C[5]C[5]O[5]H)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]CH){1|H<1>,3|C<4>}	109.5270	0.167	2	109.5270	0.028	2	109.5270	0.028	2	109.5372	1.244	15	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	3:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,5])(CN[5]HH)(H)	C(N[5]C[5,6a]C[5])(C[5]C[5]O[5]H)(H)2	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CH)	C[5](C[5]O[5]HH)(O[5]C[5,5])(CN[5]HH)(H){2|C<3>}	C(N[5]C[5,6a]C[5])(C[5]C[5]O[5]H)(H)2	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CH){1|N<3>,2|H<1>,3|C<3>}	111.2050	0.998	3	111.2050	0.996	3	111.2050	0.996	3	109.5372	1.244	15	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	3:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CN[5]HH)(H)	C(N[5]C[5,6a]C[5])(C[5]C[5]O[5]H)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CN[5]HH)(H){2|C<4>}	C(N[5]C[5,6a]C[5])(C[5]C[5]O[5]H)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	109.4970	0.559	2	109.4970	0.312	2	109.4970	0.312	2	109.5372	1.244	15	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	3:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	N[5a]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CN[5a]HH)(H)	C(N[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CN[5a]HH)(H){2|H<1>,2|O<2>}	C(N[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<2>}	109.0341	0.714	7	109.0341	0.510	7	108.9244	0.534	8	109.5372	1.244	15	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	3:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	N[5a]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]N[5a]H)(O[5]C[5,5])(CN[5a]HH)(H)	C(N[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]N[5a]H)(O[5]C[5,5])(CN[5a]HH)(H){1|C<3>,1|N<2>,2|H<1>,2|O<2>}	C(N[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	108.1560	0.000	1	108.1560	0.000	1	108.9244	0.534	8	109.5372	1.244	15	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	3:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H)	C(C[5]C[5,5,6]N[5])(C[5]C[5]O[5]H)(OC)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	C(C[5]C[5,5,6]N[5])(C[5]C[5]O[5]H)(OC)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	107.8680	0.000	1	107.8680	0.000	1	107.8680	0.000	1	107.8680	0.000	1	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	3:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(CH3)(H)	C(C[5]C[5,5]O[5]H)(H)3	O[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(CH3)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[5]C[5,5]O[5]H)(H)3	O[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	108.6670	0.000	1	108.6670	0.000	1	108.6670	0.000	1	108.0780	0.541	8	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	3:4:	C[5,6,6]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	N[5,6,6]-3:C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]N[5,6,6])(CH3)(H)	C(C[5]C[5,6,6]O[5]H)(H)3	O[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5,6,6]CH)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]N[5,6,6])(CH3)(H){1|C<3>,2|C<4>,3|H<1>}	C(C[5]C[5,6,6]O[5]H)(H)3	O[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5,6,6]CH){1|C<3>,2|C<4>,4|H<1>}	108.7517	0.246	3	108.7517	0.060	3	108.7517	0.060	3	108.0780	0.541	8	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:Br-1:H-1:H-1:	N[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]N[5,6])(CBrHH)(H)	C(C[5]C[5]O[5]H)(Br)(H)2	O[5](N[5,6]C[5,6]O[6])(C[5]C[5]CH)	C[5](C[5]C[5,6]HH)(O[5]N[5,6])(CBrHH)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[5]C[5]O[5]H)(Br)(H)2	O[5](N[5,6]C[5,6]O[6])(C[5]C[5]CH){1|C<3>,1|C<4>,3|H<1>}	107.2320	0.115	2	107.2320	0.013	2	107.2320	0.013	2	108.0780	0.541	8	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](N[5]C[6a]C[5])(C[5]C[5]CH)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CH3)(H){1|H<1>,4|C<3>}	C(C[5]C[5]O[5]H)(H)3	O[5](N[5]C[6a]C[5])(C[5]C[5]CH){2|H<1>,4|C<3>}	107.6190	0.300	2	107.6190	0.090	2	107.6190	0.090	2	108.0780	0.541	8	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:3:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:Cl-1:H-1:H-1:	C[5]-4:N[5]-3:	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(CClHH)(H)	C(C[5]C[5,5]O[5]H)(Cl)(H)2	O[5](C[5]C[5,5]CH)(N[5]C[5,5]C)	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(CClHH)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C(C[5]C[5,5]O[5]H)(Cl)(H)2	O[5](C[5]C[5,5]CH)(N[5]C[5,5]C){1|H<1>,1|O<2>,2|C<3>}	113.3320	0.000	1	113.3320	0.000	1	113.3320	0.000	1	111.5426	17.698	7	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:3:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(CH3)(H)	C(C[5]C[5,6]O[5]H)(H)3	O[5](C[5]C[5,6]CH)(N[5]C[5,6]C)	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(CH3)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C(C[5]C[5,6]O[5]H)(H)3	O[5](C[5]C[5,6]CH)(N[5]C[5,6]C){1|C<3>,1|C<4>,2|H<1>}	109.3073	1.326	3	109.3073	1.758	3	109.3073	1.758	3	111.5426	17.698	7	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:Cl-1:H-1:H-1:	C[5]-4:N[5]-3:	C[5](C[5]C[5]CH)(O[5]N[5])(CClHH)(H)	C(C[5]C[5]O[5]H)(Cl)(H)2	O[5](C[5]C[5]CH)(N[5]C[5]H)	C[5](C[5]C[5]CH)(O[5]N[5])(CClHH)(H){1|C<3>,2|H<1>}	C(C[5]C[5]O[5]H)(Cl)(H)2	O[5](C[5]C[5]CH)(N[5]C[5]H){1|C<3>,1|C<4>,2|H<1>}	109.7440	2.352	2	109.7440	5.531	2	109.7440	5.531	2	111.5426	17.698	7	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:	C[5](C[5]C[5]2H)(O[5]N[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(N[5]C[5]C)	C[5](C[5]C[5]2H)(O[5]N[5])(CH3)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(N[5]C[5]C){1|C<3>,1|C<4>,2|H<1>}	120.0560	0.000	1	120.0560	0.000	1	120.0560	0.000	1	111.5426	17.698	7	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[4,5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[4,5]C[4,5]N[4]C)(O[5]C[5])(CH3)(H)	C(C[5]C[4,5]O[5]H)(H)3	O[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]CH)	C[5](C[4,5]C[4,5]N[4]C)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C(C[5]C[4,5]O[5]H)(H)3	O[5](C[5]C[4,5]C[6a]H)(C[5]C[4,5]CH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	108.8890	0.000	1	108.8890	0.000	1	108.8890	0.000	1	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(CF3)(H)	C(C[5]C[5,5]O[5]H)(F)3	O[5](C[5]C[6a]C[5]H)(C[5]C[5,5]CH)	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(CF3)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C(C[5]C[5,5]O[5]H)(F)3	O[5](C[5]C[6a]C[5]H)(C[5]C[5,5]CH){2|H<1>,4|C<3>}	109.2220	0.000	1	109.2220	0.000	1	109.2220	0.000	1	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5,5]C[3x5]C[5,6]H)(O[5]C[5,5])(CH3)(H)	C(C[5]C[5,5]O[5]H)(H)3	O[5](C[5,5]C[3x5]C[5]O)(C[5]C[5,5]CH)	C[5](C[5,5]C[3x5]C[5,6]H)(O[5]C[5,5])(CH3)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C(C[5]C[5,5]O[5]H)(H)3	O[5](C[5,5]C[3x5]C[5]O)(C[5]C[5,5]CH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	108.6785	0.373	2	108.6785	0.139	2	108.6785	0.139	2	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]Fe)(O[5]C[5])(CH3)(H)	C(C[5]C[5,5]O[5]H)(H)3	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]C[5]Fe)(O[5]C[5])(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,5]O[5]H)(H)3	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HH){1|Fe<8>,2|C<4>}	111.8095	0.448	2	111.8095	0.200	2	109.9637	1.997	16	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(CH3)(H)	C(C[5]C[5,5]O[5]H)(H)3	O[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(CH3)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C(C[5]C[5,5]O[5]H)(H)3	O[5](C[5]C[5,5]CH)(C[5]N[5,5]CH){1|C<4>,2|C<3>}	109.4134	0.472	8	109.7000	1.690	14	109.9637	1.997	16	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(CH3)(H)	C(C[5]C[5,5]O[5]H)(H)3	O[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(CH3)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[5]C[5,5]O[5]H)(H)3	O[5](C[5]C[5,5]CH)(C[5]N[5,5]CH){3|C<3>}	112.2450	0.000	1	109.7000	1.690	14	109.9637	1.997	16	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(CH3)(H)	C(C[5]C[5,5]O[5]H)(H)3	O[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[5]C[5,5]O[5]H)(H)3	O[5](C[5]C[5,5]CH)(C[5]N[5,5]CH){3|C<3>}	110.5970	1.808	3	109.7000	1.690	14	109.9637	1.997	16	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(CH3)(H)	C(C[5]C[5,5]O[5]H)(H)3	O[5](C[5]C[5,5]CH)(C[5]N[5,5]CH)	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,5]O[5]H)(H)3	O[5](C[5]C[5,5]CH)(C[5]N[5,5]CH){1|C<4>,2|C<3>}	108.2285	0.059	2	109.7000	1.690	14	109.9637	1.997	16	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5,6,6]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(O[5]C[5,6])(CH3)(H)	C(C[5]C[5,6,6]O[5]H)(H)3	O[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5,6,6]CH)	C[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(O[5]C[5,6])(CH3)(H){2|C<4>,2|N<3>,6|H<1>}	C(C[5]C[5,6,6]O[5]H)(H)3	O[5](C[5,6]C[5,6]N[5,6]H)(C[5]C[5,6,6]CH){1|C<3>,2|H<1>,3|C<4>}	109.0135	0.595	2	109.0135	0.354	2	109.0135	0.354	2	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:	C[5](C[5,6]C[5,5,6,6]C[6]H)(O[5]C[5,5,6])(CH3)(H)	C(C[5]C[5,6]O[5]H)(H)3	O[5](C[5,5,6]C[5,5,6,6]C[6,6a]O[5])(C[5]C[5,6]CH)	C[5](C[5,6]C[5,5,6,6]C[6]H)(O[5]C[5,5,6])(CH3)(H){1|C<4>,2|O<2>,4|C<3>}	C(C[5]C[5,6]O[5]H)(H)3	O[5](C[5,5,6]C[5,5,6,6]C[6,6a]O[5])(C[5]C[5,6]CH){1|C<4>,1|H<1>,5|C<3>}	108.7340	0.171	2	108.7340	0.029	2	108.7340	0.029	2	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,5])(CH3)(H)	C(C[5]C[5,6]O[5]H)(H)3	O[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5,6]CH)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,5])(CH3)(H){1|O<2>,2|H<1>,4|C<4>}	C(C[5]C[5,6]O[5]H)(H)3	O[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5,6]CH){1|O<2>,2|H<1>,5|C<4>}	109.4410	0.000	1	109.4410	0.000	1	109.4410	0.000	1	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(H)	C(C[5]C[5,6]O[5]H)(H)3	O[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C(C[5]C[5,6]O[5]H)(H)3	O[5](C[5]C[5,6]CH)(C[5]C[5,6]HH){1|C<3>,1|C<4>,2|H<1>}	109.5680	0.000	1	109.5680	0.000	1	110.1157	5.554	6	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(CH3)(H)	C(C[5]C[5,6]O[5]H)(H)3	O[5](C[5]C[6a]C[5]H)(C[5]C[5,6]CH)	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(CH3)(H){4|C<3>,4|H<1>}	C(C[5]C[5,6]O[5]H)(H)3	O[5](C[5]C[6a]C[5]H)(C[5]C[5,6]CH){1|H<1>,5|C<3>}	114.8910	0.000	1	114.8910	0.000	1	110.1157	5.554	6	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6]C[6]2O[5])(O[5]C[5])(CH3)(H)	C(C[5]C[5,6]O[5]H)(H)3	O[5](C[5]C[5,6]CH)(C[5]O[5]CC)	C[5](C[5,6]C[6]2O[5])(O[5]C[5])(CH3)(H){2|O<2>,3|C<4>,3|H<1>}	C(C[5]C[5,6]O[5]H)(H)3	O[5](C[5]C[5,6]CH)(C[5]O[5]CC){2|C<4>}	108.8570	0.000	1	108.8570	0.000	1	110.1157	5.554	6	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CH3)(H)	C(C[5]C[5,6]O[5]H)(H)3	O[5](C[5]C[5,6]CH)(C[5]N[5,6]CH)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(C[5]C[5,6]O[5]H)(H)3	O[5](C[5]C[5,6]CH)(C[5]N[5,6]CH){1|H<1>,2|C<3>}	109.3550	0.000	1	109.3550	0.000	1	110.1157	5.554	6	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CH3)(H)	C(C[5]C[5,6]O[5]H)(H)3	O[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)	C[5](C[5,6]N[5,6]C[6]H)(O[5]C[5])(CH3)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C(C[5]C[5,6]O[5]H)(H)3	O[5](C[5]C[5,6]CH)(C[5]N[5,6]HH){1|H<1>,2|C<3>}	109.0115	0.254	2	109.0115	0.064	2	110.1157	5.554	6	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:Br-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]C[6a]H)(O[5]C[5,5])(CBrHH)(H)	C(C[5]C[5]O[5]H)(Br)(H)2	O[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]CH)	C[5](C[5]C[5,5]C[6a]H)(O[5]C[5,5])(CBrHH)(H){1|C<4>,2|O<2>,3|C<3>}	C(C[5]C[5]O[5]H)(Br)(H)2	O[5](C[5,5]C[5,6a]C[5,5]O)(C[5]C[5]CH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	110.6395	0.059	2	110.6395	0.003	2	110.6395	0.003	2	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:Br-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CBrHH)(H)	C(C[5]C[5]O[5]H)(Br)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]CO)	C[5](C[5]C[5]HO)(O[5]C[5])(CBrHH)(H){1|C<4>,1|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(Br)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]CO){2|H<1>,2|O<2>}	109.6320	0.000	1	109.6320	0.000	1	109.6320	0.000	1	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:Cl-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CClHH)(H)	C(C[5]C[5]O[5]H)(Cl)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]CO)	C[5](C[5]C[5]HO)(O[5]C[5])(CClHH)(H){1|C<4>,1|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(Cl)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]CO){2|H<1>,2|O<2>}	109.2463	0.526	4	109.2463	0.276	4	108.9912	0.532	5	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:Cl-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CClHH)(H)	C(C[5]C[5]O[5]H)(Cl)(H)2	O[5](C[5]C[6a]2N[5])(C[5]C[5]CH)	C[5](C[5]N[5]HH)(O[5]C[5])(CClHH)(H){3|C<3>}	C(C[5]C[5]O[5]H)(Cl)(H)2	O[5](C[5]C[6a]2N[5])(C[5]C[5]CH){2|H<1>,5|C<3>}	107.9710	0.000	1	107.9710	0.000	1	108.9912	0.532	5	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	B[5,5]-4:C[5]-4:	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](B[5,5]N[5,5]B[5]O[5])(C[5]C[5]CH)	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(CH3)(H){1|B<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[5]O[5]H)(H)3	O[5](B[5,5]N[5,5]B[5]O[5])(C[5]C[5]CH){2|C<4>,2|O<2>,3|H<1>}	110.2040	0.680	2	110.2040	0.463	2	110.2040	0.463	2	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[3x5]-4:C[5]-4:	C[5](C[5]N[5,5]CH)(O[5]C[3x5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]CH)	C[5](C[5]N[5,5]CH)(O[5]C[3x5])(CH3)(H){1|C<3>,2|C<4>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[3x5]C[5,5]N[5,5]C[5])(C[5]C[5]CH){2|C<4>,3|C<3>,4|H<1>}	109.3150	0.000	1	109.3150	0.000	1	109.3150	0.000	1	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[4,5]-4:C[5]-4:	C[5](C[5]C[4,5]HH)(O[5]C[4,5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[4,5]C[4,5]C[4]S)(C[5]C[5]CH)	C[5](C[5]C[4,5]HH)(O[5]C[4,5])(CH3)(H){1|H<1>,1|S<4>,2|C<4>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[4,5]C[4,5]C[4]S)(C[5]C[5]CH){1|C<4>,5|H<1>}	107.8890	0.386	2	107.8890	0.149	2	107.8890	0.149	2	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]C[6]H)(O[5]C[5,5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CH)	C[5](C[5]C[5,5]C[6]H)(O[5]C[5,5])(CH3)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,3|C<4>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	104.8240	0.000	1	104.8240	0.000	1	109.1821	5.920	14	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]CC)(O[5]C[5,5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CH)	C[5](C[5]C[5]CC)(O[5]C[5,5])(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CH){1|H<1>,2|C<4>,4|C<3>}	110.9820	0.000	1	110.9820	0.000	1	109.1821	5.920	14	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]CH){3|C<3>,4|H<1>}	107.5350	0.000	1	107.5350	0.000	1	109.1821	5.920	14	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CH){2|C<4>,6|H<1>}	109.7898	0.634	5	109.7898	0.403	5	109.1821	5.920	14	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,5]C[5]N[5]2)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)(H){1|O<1>,2|N<3>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,5]C[5]N[5]2)(C[5]C[5]CH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	111.3770	0.000	1	111.3770	0.000	1	109.1821	5.920	14	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH)	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(CH3)(H){1|C<3>,2|C<4>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,5]N[5,5]C[5]C)(C[5]C[5]CH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	109.0710	0.000	1	109.0710	0.000	1	109.1821	5.920	14	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5,5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)	C[5](C[5]N[5]CH)(O[5]C[5,5])(CH3)(H){3|C<3>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	107.0360	0.000	1	107.0360	0.000	1	109.1821	5.920	14	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5,5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)	C[5](C[5]N[5]HH)(O[5]C[5,5])(CH3)(H){3|C<3>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	109.0900	0.000	1	109.0900	0.000	1	109.1821	5.920	14	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5,5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CH)	C[5](C[5]O[5]CH)(O[5]C[5,5])(CH3)(H){1|C<3>,1|C<4>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CH){1|C<3>,2|C<4>,4|H<1>}	109.8425	6.184	2	109.8425	38.238	2	109.1821	5.920	14	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,6]C[5,6]2O)(C[5]C[5]CH)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(CH3)(H){1|C<3>,1|C<4>,1|O<2>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,6]C[5,6]2O)(C[5]C[5]CH){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	108.9970	0.000	1	108.9970	0.000	1	109.1545	0.349	24	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]CH)	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(CH3)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	108.4450	0.136	2	108.4450	0.018	2	109.1545	0.349	24	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5,6])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)	C[5](C[5]C[5]CH)(O[5]C[5,6])(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH){1|C<3>,1|C<4>,2|H<1>,2|O<1>,2|O<2>}	108.9343	0.181	4	108.9343	0.033	4	109.1545	0.349	24	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,6])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5,6])(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]CH){1|C<4>,2|C<3>,5|H<1>}	108.7510	0.000	1	108.7510	0.000	1	109.1545	0.349	24	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,6])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5,6])(CH3)(H){1|C<3>,1|H<1>,1|O<2>,1|S<4>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]CH){1|O<1>,1|S<4>,2|C<4>,3|H<1>}	109.5320	0.000	1	109.3975	0.036	2	109.1545	0.349	24	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,6])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5,6])(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]CH){2|C<4>,6|H<1>}	109.2630	0.000	1	109.3975	0.036	2	109.1545	0.349	24	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CH){1|N<2>,2|C<3>,3|H<1>}	108.6830	0.000	1	109.2370	0.614	2	109.1545	0.349	24	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CH)	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]CH){1|N<3>,2|C<3>,3|H<1>}	109.7910	0.000	1	109.2370	0.614	2	109.1545	0.349	24	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5,6])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]CH)	C[5](C[5]O[5]CH)(O[5]C[5,6])(CH3)(H){2|C<4>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]CH){3|H<1>,5|C<4>}	109.5075	0.651	2	109.4068	0.199	4	109.1545	0.349	24	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5,6])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]CH)	C[5](C[5]O[5]CH)(O[5]C[5,6])(CH3)(H){2|C<4>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]CH){4|C<4>,4|H<1>}	109.3060	0.363	2	109.4068	0.199	4	109.1545	0.349	24	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5,6])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)	C[5](C[5]O[5]CH)(O[5]C[5,6])(CH3)(H){1|C<3>,1|C<4>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH){1|C<3>,2|C<4>,4|H<1>}	109.1625	0.456	2	109.1625	0.208	2	109.1545	0.349	24	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)	C[5](C[5]O[5]HH)(O[5]C[5,6])(CH3)(H){2|C<4>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH){2|C<4>,6|H<1>}	109.3518	0.943	6	109.3518	0.889	6	109.1545	0.349	24	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]C[5]CO)	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]C[5]CO){2|C<3>,2|H<1>}	109.5550	0.000	1	109.5550	0.000	1	109.7323	2.281	41	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[6a]C[5]O)(C[5]C[5]CH)	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)(H){1|C<3>,1|H<1>,1|O<2>,1|P<4>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[6a]C[5]O)(C[5]C[5]CH){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	107.9880	0.000	1	107.9880	0.000	1	109.7323	2.281	41	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CN)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]CN)(O[5]C[5])(CH3)(H){4|H<1>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,1|N<3>,2|H<1>}	113.5820	0.000	1	113.5820	0.000	1	109.7323	2.281	41	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CN)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]CN)(O[5]C[5])(CH3)(H){1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]C[5]HO){1|C<3>,1|H<1>,2|N<3>}	107.0160	0.000	1	107.0160	0.000	1	109.7323	2.281	41	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CO)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]CO)(O[5]C[5])(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]CH){1|C<4>,1|H<1>,2|O<2>}	109.6790	0.000	1	109.6790	0.000	1	109.7323	2.281	41	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)2{1|O<2>,3|H<1>}	107.9610	0.000	1	108.6093	0.464	4	109.7323	2.281	41	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)2{1|O<2>,3|H<1>}	109.5540	0.000	1	108.6093	0.464	4	109.7323	2.281	41	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)2{4|H<1>}	108.4610	0.188	2	108.6093	0.464	4	109.7323	2.281	41	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|C<4>,2|C<3>,3|H<1>}	109.3600	0.000	1	109.8985	0.580	2	109.7323	2.281	41	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(H){1|C<3>,1|S<4>,2|H<1>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|S<4>,2|C<3>,3|H<1>}	110.4370	0.000	1	109.8985	0.580	2	109.7323	2.281	41	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]C[5]CO)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|C<4>,1|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]C[5]CO){2|H<1>,2|O<2>}	109.3210	0.006	2	109.3210	0.000	2	109.7323	2.281	41	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]C[5]HO){2|H<1>,2|O<2>}	108.9940	0.614	2	108.9940	0.377	2	109.7323	2.281	41	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|C<4>,1|I<1>,2|H<1>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)2{1|I<1>,1|O<2>,2|H<1>}	110.9240	0.000	1	110.2215	0.244	4	109.7323	2.281	41	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)2{1|O<2>,3|H<1>}	109.9040	0.000	1	110.2215	0.244	4	109.7323	2.281	41	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){2|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)2{1|C<4>,1|O<2>,2|H<1>}	110.0290	0.253	2	110.2215	0.244	4	109.7323	2.281	41	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	107.6210	0.000	1	107.6210	0.000	1	109.7323	2.281	41	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	108.8110	0.000	1	108.8110	0.000	1	109.7323	2.281	41	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[6]O[5]H)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(CH3)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	109.2410	0.000	1	109.2410	0.000	1	109.7323	2.281	41	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]N[5]CC)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|S<4>,2|C<4>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]N[5]CC){1|C<4>,1|H<1>,1|S<4>}	110.0940	0.000	1	110.0940	0.000	1	109.7323	2.281	41	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]N[5]CH)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]N[5]CH){1|H<1>,2|C<3>}	112.3310	0.000	1	112.3310	0.000	1	109.7323	2.281	41	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]N[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|Cu<5>,1|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]N[5]HH){1|Cu<5>,1|C<3>,1|C<4>,1|H<1>}	110.2275	0.073	2	110.5550	1.321	4	109.7323	2.281	41	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]N[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|Ru<6>,3|H<1>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]N[5]HH){1|Ru<6>,1|C<3>,2|H<1>}	112.2110	0.000	1	110.5550	1.321	4	109.7323	2.281	41	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]N[5]HH)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)(H){1|S<4>,2|H<1>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]N[5]HH){1|C<3>,1|H<1>,1|S<4>}	109.5540	0.000	1	110.5550	1.321	4	109.7323	2.281	41	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)	C[5](C[5]N[5]HH)(O[5]C[5])(CH3)(H){1|Zn<5>,1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CH){1|Zn<5>,1|C<4>,2|C<3>,2|H<1>}	114.1410	0.000	1	114.1410	0.000	1	109.7323	2.281	41	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CC)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CC)(O[5]C[5])(CH3)(H){2|C<4>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|C<4>}	107.5830	0.000	1	107.5830	0.000	1	109.7323	2.281	41	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H){2|C<4>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	109.2860	1.353	6	109.2860	1.831	6	109.7323	2.281	41	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]O[5]CH)	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H){1|C<4>,1|H<1>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(C[5]O[5]CH){1|C<3>,1|H<1>}	110.3030	0.000	1	110.3030	0.000	1	109.7323	2.281	41	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[6]O[5]H)(C[5]C[5]CH)	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H){1|C<3>,1|H<1>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[6]O[5]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	110.3815	0.030	2	110.3017	0.020	3	109.7323	2.281	41	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[6]O[5]H)(C[5]C[5]CH)	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H){1|Re<6>,1|C<3>,1|H<1>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[6]O[5]H)(C[5]C[5]CH){1|Re<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	110.1420	0.000	1	110.3017	0.020	3	109.7323	2.281	41	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)	C[5](C[5]O[5]CH)(O[5]C[5])(CH3)(H){1|C<3>,1|H<1>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH){1|H<1>,3|C<3>}	110.4870	0.000	1	110.4870	0.000	1	109.7323	2.281	41	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:P[5]-4:	C[5](C[5]O[5]CH)(O[5]P[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(P[5]O[5]OO)	C[5](C[5]O[5]CH)(O[5]P[5])(CH3)(H){1|O<1>,1|O<2>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(P[5]O[5]OO){1|C<4>,1|H<1>}	113.9960	1.660	2	113.9960	2.757	2	113.9960	2.757	2	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:S[5]-4:	C[5](C[5]N[5]HH)(O[5]S[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(S[5]N[5]OO)	C[5](C[5]N[5]HH)(O[5]S[5])(CH3)(H){1|C<3>,2|O<1>}	C(C[5]C[5]O[5]H)(H)3	O[5](C[5]C[5]CH)(S[5]N[5]OO){1|C<3>,2|H<1>}	107.1770	0.030	2	107.1770	0.001	2	107.1770	0.001	2	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:I-1:	C[5,5,6]-4:C[5]-4:	C[5](C[5]C[3x5,6]HH)(O[5]C[5,5,6])(CHHI)(H)	C(C[5]C[5]O[5]H)(H)2(I)	O[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5]CH)	C[5](C[5]C[3x5,6]HH)(O[5]C[5,5,6])(CHHI)(H){1|H<1>,3|C<4>}	C(C[5]C[5]O[5]H)(H)2(I)	O[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[5]C[5]CH){2|H<1>,5|C<4>}	107.7475	0.695	4	107.7475	0.483	4	107.7475	0.483	4	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:I-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHI)(H)	C(C[5]C[5]O[5]H)(H)2(I)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHI)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(H)2(I)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH){1|C<3>,3|H<1>,3|O<2>}	108.3660	0.000	1	108.3660	0.000	1	108.3660	0.000	1	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:I-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,6])(CHHI)(H)	C(C[5]C[5]O[5]H)(H)2(I)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5,6])(CHHI)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]O[5]H)(H)2(I)	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]CH){3|C<4>,5|H<1>}	105.6220	0.000	1	105.6220	0.000	1	105.6220	0.000	1	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:I-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHI)(H)	C(C[5]C[5]O[5]H)(H)2(I)	O[5](C[5]C[6a]2C[5])(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHI)(H){1|H<1>,1|O<2>,2|C<3>}	C(C[5]C[5]O[5]H)(H)2(I)	O[5](C[5]C[6a]2C[5])(C[5]C[5]CH){1|O<2>,3|H<1>,4|C<3>}	107.9730	0.000	1	107.9730	0.000	1	107.9730	0.000	1	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:O-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(H)2(O)	O[5](C[5]C[5]CH)(C[5]C[5]CN)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	C(C[5]C[5]O[5]H)(H)2(O)	O[5](C[5]C[5]CH)(C[5]C[5]CN){2|H<1>,2|O<1>}	109.2875	1.091	2	109.2875	1.190	2	108.0821	2.253	7	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:O-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(H)2(O)	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<1>,2|H<1>}	C(C[5]C[5]O[5]H)(H)2(O)	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<1>}	106.5620	0.000	1	106.5507	0.000	3	108.0821	2.253	7	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:O-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(H)2(O)	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C(C[5]C[5]O[5]H)(H)2(O)	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	106.5450	0.000	2	106.5507	0.000	3	108.0821	2.253	7	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:O-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(H)2(O)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C(C[5]C[5]O[5]H)(H)2(O)	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|O<1>,2|C<3>,3|H<1>}	109.1740	0.000	2	109.1740	0.000	2	108.0821	2.253	7	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:O-1:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,5,6]HO)(O[5]C[5,6])(CH3)(O)	C(C[5]C[5]O[5]O)(H)3	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]CO)	C[5](C[5]C[5,5,6]HO)(O[5]C[5,6])(CH3)(O){1|C<3>,1|H<1>,2|C<4>}	C(C[5]C[5]O[5]O)(H)3	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]CO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	106.4090	0.000	1	106.4090	0.000	1	106.4090	0.000	1	109.3482	2.718	142	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	N[5]-3:C[5]-4:	C[5](C[5]C[5]CH)(O[5]N[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](N[5]C[6a]C[5])(C[5]C[5]CH)	C[5](C[5]C[5]CH)(O[5]N[5])(CHHO)(H){1|H<1>,2|C<3>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](N[5]C[6a]C[5])(C[5]C[5]CH){1|C<4>,2|H<1>,3|C<3>}	107.9690	0.000	1	107.9690	0.000	1	107.9690	0.000	1	107.9690	0.000	1	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]C[5]CH)(N[5]C[5]C)	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(H){1|H<1>,2|C<4>}	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]C[5]CH)(N[5]C[5]C){1|C<4>,3|H<1>}	108.8160	0.000	1	108.8160	0.000	1	107.8282	0.442	4	107.8282	0.442	4	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC[5])(H)2	O[5](C[5]C[5]CH)(N[5]C[5]C)	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(H){1|H<1>,2|C<4>}	C(C[5]C[5]O[5]H)(OC[5])(H)2	O[5](C[5]C[5]CH)(N[5]C[5]C){1|C<4>,3|H<1>}	107.5190	0.000	1	107.5190	0.000	1	107.8282	0.442	4	107.8282	0.442	4	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OS)(H)2	O[5](C[5]C[5]CH)(N[5]C[5]C)	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(H){1|H<1>,2|C<4>}	C(C[5]C[5]O[5]H)(OS)(H)2	O[5](C[5]C[5]CH)(N[5]C[5]C){1|C<4>,3|H<1>}	107.4890	0.157	2	107.4890	0.025	2	107.8282	0.442	4	107.8282	0.442	4	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[3,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[3,5]C[3,5]C[3]C)(O[5]C[5])(CHHO)(H)	C(C[5]C[3,5]O[5]H)(OH)(H)2	O[5](C[5]C[3,5]N[6a]H)(C[5]C[3,5]CH)	C[5](C[3,5]C[3,5]C[3]C)(O[5]C[5])(CHHO)(H){1|F<1>,1|N<3>,3|H<1>}	C(C[5]C[3,5]O[5]H)(OH)(H)2	O[5](C[5]C[3,5]N[6a]H)(C[5]C[3,5]CH){1|F<1>,2|C<3>,2|C<4>}	107.0230	0.000	1	107.0230	0.000	1	108.0275	2.018	2	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[3,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[3,5]O[5]H)(OC)(H)2	O[5](C[5]C[3,5]N[6a]H)(C[5]C[3,5]CH)	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CHHO)(H){1|N<3>,2|H<1>}	C(C[5]C[3,5]O[5]H)(OC)(H)2	O[5](C[5]C[3,5]N[6a]H)(C[5]C[3,5]CH){1|O<2>,2|C<3>,2|H<1>}	109.0320	0.000	1	109.0320	0.000	1	108.0275	2.018	2	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[4,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[4,5]O[5]H)(OH)(H)2	O[5](C[5]C[4,5]N[5a]H)(C[5]C[4,5]CH)	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H){1|C<3>,1|N<3>,3|H<1>}	C(C[5]C[4,5]O[5]H)(OH)(H)2	O[5](C[5]C[4,5]N[5a]H)(C[5]C[4,5]CH){2|H<1>,4|C<3>}	108.5340	0.000	1	110.1197	1.952	3	110.1197	1.952	3	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[4,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[4,5]O[5]H)(OH)(H)2	O[5](C[5]C[4,5]N[5a]H)(C[5]C[4,5]CH)	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|F<1>,1|N<3>,3|H<1>}	C(C[5]C[4,5]O[5]H)(OH)(H)2	O[5](C[5]C[4,5]N[5a]H)(C[5]C[4,5]CH){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	110.6550	0.000	1	110.1197	1.952	3	110.1197	1.952	3	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[4,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[4,5]O[5]H)(OH)(H)2	O[5](C[5]C[4,5]N[5a]H)(C[5]C[4,5]CH)	C[5](C[4,5]C[4,5]C[4]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<3>,4|H<1>}	C(C[5]C[4,5]O[5]H)(OH)(H)2	O[5](C[5]C[4,5]N[5a]H)(C[5]C[4,5]CH){2|C<3>,2|C<4>,2|H<1>}	111.1700	0.000	1	110.1197	1.952	3	110.1197	1.952	3	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5,5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5,5,6]C[5,5,6,6]C[6]O[5])(O[5]C[5,6])(CHHO)(H)	C(C[5]C[5,5,6]O[5]H)(OH)(H)2	O[5](C[5,6]C[5,5,6,6]C[6,6a]H)(C[5]C[5,5,6]CH)	C[5](C[5,5,6]C[5,5,6,6]C[6]O[5])(O[5]C[5,6])(CHHO)(H){1|C<3>,3|H<1>,4|C<4>}	C(C[5]C[5,5,6]O[5]H)(OH)(H)2	O[5](C[5,6]C[5,5,6,6]C[6,6a]H)(C[5]C[5,5,6]CH){1|O<2>,2|C<3>,3|C<4>}	110.8460	0.000	1	110.8460	0.000	1	110.8460	0.000	1	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5,5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(CHHO)(H)	C(C[5]C[5,5,6]O[5]H)(OC)(H)2	O[5](C[5]C[5,5,6]CH)2	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(CHHO)(H){3|H<1>,4|C<4>}	C(C[5]C[5,5,6]O[5]H)(OC)(H)2	O[5](C[5]C[5,5,6]CH)2{2|C<4>,2|H<1>}	112.0130	0.000	1	112.0130	0.000	1	109.7100	10.608	2	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5,5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(O[5]C[5])(CHHO)(H)	C(C[5]C[5,5,6]O[5]H)(OH)(H)2	O[5](C[5]C[5,5,6]C[6a]H)(C[5]C[5,5,6]CH)	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(O[5]C[5])(CHHO)(H){1|C<3>,3|H<1>,4|C<4>}	C(C[5]C[5,5,6]O[5]H)(OH)(H)2	O[5](C[5]C[5,5,6]C[6a]H)(C[5]C[5,5,6]CH){1|O<2>,2|C<3>,3|C<4>}	107.4070	0.000	1	107.4070	0.000	1	109.7100	10.608	2	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHN)(H)	C(C[5]C[5,5]O[5]H)(NN)(H)2	O[5](C[5]C[5,5]CH)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHN)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[5]C[5,5]O[5]H)(NN)(H)2	O[5](C[5]C[5,5]CH)2{1|C<4>,1|H<1>,2|O<2>}	111.4520	0.000	1	111.4520	0.000	1	111.4520	0.000	1	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5,5]C[3x5]C[5]O)(O[5]C[5,5])(CHHO)(H)	C(C[5]C[5,5]O[5]H)(OH)(H)2	O[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]CH)	C[5](C[5,5]C[3x5]C[5]O)(O[5]C[5,5])(CHHO)(H){1|C<4>,1|H<1>,1|O<1>,3|O<2>}	C(C[5]C[5,5]O[5]H)(OH)(H)2	O[5](C[5,5]C[3x5]O[5]H)(C[5]C[5,5]CH){1|C<3>,2|C<4>,2|O<2>}	110.6290	0.000	1	110.6290	0.000	1	111.0331	2.447	9	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5,5]C[3x5]O[5]H)(O[5]C[5,5])(CHHO)(H)	C(C[5]C[5,5]O[5]H)(OC)(H)2	O[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]CH)	C[5](C[5,5]C[3x5]O[5]H)(O[5]C[5,5])(CHHO)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5,5]O[5]H)(OC)(H)2	O[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]CH){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	113.5600	0.000	2	113.5600	0.000	2	111.0331	2.447	9	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5,5]C[3x5]O[5]H)(O[5]C[5,5])(CHHO)(H)	C(C[5]C[5,5]O[5]H)(OSi)(H)2	O[5](C[5,5]C[5,5a]C[3x5]H)(C[5]C[5,5]CH)	C[5](C[5,5]C[3x5]O[5]H)(O[5]C[5,5])(CHHO)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[5]C[5,5]O[5]H)(OSi)(H)2	O[5](C[5,5]C[5,5a]C[3x5]H)(C[5]C[5,5]CH){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	110.2950	0.000	1	110.2950	0.000	1	111.0331	2.447	9	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(CHHO)(H)	C(C[5]C[5,5]O[5]H)(OH)(H)2	O[5](C[5,5]C[5,5]2O[5])(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(CHHO)(H){1|H<1>,2|C<4>,2|O<2>}	C(C[5]C[5,5]O[5]H)(OH)(H)2	O[5](C[5,5]C[5,5]2O[5])(C[5]C[5,5]CH){1|Ru<8>,2|H<1>,2|O<2>,3|C<4>}	110.1680	0.464	2	110.1680	0.215	2	111.0331	2.447	9	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(CHHO)(H)	C(C[5]C[5,5]O[5]H)(OH)(H)2	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(CHHO)(H){1|H<1>,2|C<4>,2|O<2>}	C(C[5]C[5,5]O[5]H)(OH)(H)2	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5,5]CH){1|C<4>,3|O<2>,4|H<1>}	110.6725	1.411	2	110.6725	1.990	2	111.0331	2.447	9	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(CHHO)(H)	C(C[5]C[5,5]O[5]H)(OSi)(H)2	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5,5])(CHHO)(H){1|H<1>,2|C<4>,2|O<2>}	C(C[5]C[5,5]O[5]H)(OSi)(H)2	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5,5]CH){1|Ru<7>,2|H<1>,2|O<2>,3|C<4>}	109.5730	0.000	1	109.5730	0.000	1	111.0331	2.447	9	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]H)(O[5]C[5,6])(CHHO)(H)	C(C[5]C[5,5]O[5]H)(OH)(H)2	O[5](C[5,6]C[5,5,6]N[6,6a]H)(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5,6]O[5]H)(O[5]C[5,6])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5,5]O[5]H)(OH)(H)2	O[5](C[5,6]C[5,5,6]N[6,6a]H)(C[5]C[5,5]CH){2|C<3>,2|H<1>,2|O<2>}	109.3120	0.000	1	109.3120	0.000	1	110.0855	1.197	2	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5,6])(CHHO)(H)	C(C[5]C[5,5]O[5]H)(OH)(H)2	O[5](C[5,6]N[5a,6]C[5,5]C[6])(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5,6])(CHHO)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C(C[5]C[5,5]O[5]H)(OH)(H)2	O[5](C[5,6]N[5a,6]C[5,5]C[6])(C[5]C[5,5]CH){1|C<3>,1|N<2>,3|O<2>,4|H<1>}	110.8590	0.000	1	110.8590	0.000	1	110.0855	1.197	2	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5,6]O[5]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[5,5]O[5]H)(OH)(H)2	O[5](C[5]C[5,5,6]HH)(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5,6]O[5]H)(O[5]C[5])(CHHO)(H){1|N<3>,2|C<4>,2|H<1>}	C(C[5]C[5,5]O[5]H)(OH)(H)2	O[5](C[5]C[5,5,6]HH)(C[5]C[5,5]CH){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	109.0930	0.000	1	109.0930	0.000	1	110.0452	1.555	13	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[5,5]O[5]H)(OC)(H)2	O[5](C[5]C[5,5]N[5a]H)(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5,5]O[5]H)(OC)(H)2	O[5](C[5]C[5,5]N[5a]H)(C[5]C[5,5]CH){1|C<3>,1|N<2>,2|H<1>,2|O<2>}	110.8320	0.000	1	110.0040	2.602	4	110.0452	1.555	13	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[5,5]O[5]H)(OC)(H)2	O[5](C[5]C[5,5]N[5a]H)(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5,5]O[5]H)(OC)(H)2	O[5](C[5]C[5,5]N[5a]H)(C[5]C[5,5]CH){2|C<3>,2|H<1>,2|O<2>}	109.7280	1.856	3	110.0040	2.602	4	110.0452	1.555	13	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[5,5]O[5]H)(OC)(H)2	O[5](C[5]C[5,5]N[6a]H)(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5,5]O[5]H)(OC)(H)2	O[5](C[5]C[5,5]N[6a]H)(C[5]C[5,5]CH){2|C<3>,2|H<1>,2|O<2>}	108.4180	0.000	1	108.4180	0.000	1	110.0452	1.555	13	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[5,5]O[5]H)(OH)(H)2	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HN)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5,5]O[5]H)(OH)(H)2	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HN){2|H<1>,2|O<2>}	111.0300	1.615	2	111.0300	2.608	2	110.0452	1.555	13	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[5,5]O[5]H)(OH)(H)2	O[5](C[5]C[5,5]N[6a]H)(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5,5]O[5]H)(OH)(H)2	O[5](C[5]C[5,5]N[6a]H)(C[5]C[5,5]CH){2|C<3>,2|H<1>,2|O<2>}	110.2720	1.607	2	110.2720	2.581	2	110.0452	1.555	13	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[5,5]O[5]H)(OP)(H)2	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHO)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[5]C[5,5]O[5]H)(OP)(H)2	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO){2|H<1>,2|O<2>}	110.1445	0.144	2	110.1445	0.021	2	110.0452	1.555	13	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]N[5,6a]C[5,5]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[5,5]O[5]H)(OC)(H)2	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)	C[5](C[5,5]N[5,6a]C[5,5]H)(O[5]C[5])(CHHO)(H){2|C<3>,2|H<1>,2|O<2>}	C(C[5]C[5,5]O[5]H)(OC)(H)2	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO){1|N<3>,1|O<2>,2|H<1>}	110.1670	0.000	1	110.1670	0.000	1	110.0452	1.555	13	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:S-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHS)(H)	C(C[5]C[5,5]O[5]H)(SC[6])(H)2	O[5](C[5]C[5,5]N[6]H)(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHS)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5,5]O[5]H)(SC[6])(H)2	O[5](C[5]C[5,5]N[6]H)(C[5]C[5,5]CH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	110.6610	0.908	2	110.6610	0.824	2	110.6610	0.824	2	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5,6,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6,6]O[5]H)(CC)(H)2	O[5](C[5]C[5,6,6]CH)(C[5]C[5,6,6]HH)	C[5](C[5,6,6]C[5,6,6]C[6,6]H)(O[5]C[5])(CCHH)(H){1|C<2>,1|C<3>,2|H<1>,3|C<4>}	C(C[5]C[5,6,6]O[5]H)(CC)(H)2	O[5](C[5]C[5,6,6]CH)(C[5]C[5,6,6]HH){1|H<1>,3|C<4>}	108.7940	0.000	1	108.7940	0.000	1	108.7940	0.000	1	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6]O[5]H)(CC)(H)2	O[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<4>,3|C<3>,3|H<1>}	C(C[5]C[5,6]O[5]H)(CC)(H)2	O[5](C[5]C[5,6]CH)(C[5]C[5,6]HH){1|C<3>,1|H<1>,2|C<4>}	109.3190	0.000	1	109.3190	0.000	1	108.2730	2.188	2	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6]O[5]H)(CC)(H)2	O[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]CH)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<3>,2|H<1>,3|C<4>}	C(C[5]C[5,6]O[5]H)(CC)(H)2	O[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]CH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	107.2270	0.000	1	107.2270	0.000	1	108.2730	2.188	2	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6,6])(CHHO)(H)	C(C[5]C[5,6]O[5]H)(OC)(H)2	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6,6])(CHHO)(H){3|C<4>,4|H<1>}	C(C[5]C[5,6]O[5]H)(OC)(H)2	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH){5|C<4>,5|H<1>}	107.5770	0.000	1	107.5770	0.000	1	107.5770	0.000	1	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5,6])(CHHO)(H)	C(C[5]C[5,6]O[5]H)(OC)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH)	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5,6])(CHHO)(H){1|S<4>,2|C<4>,3|H<1>}	C(C[5]C[5,6]O[5]H)(OC)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CH){1|C<4>,1|N<3>,5|H<1>}	111.8930	0.000	1	111.8930	0.000	1	110.8825	2.042	2	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5,6])(CHHO)(H)	C(C[5]C[5,6]O[5]H)(OC)(H)2	O[5](C[5,6]N[6,6a]C[5,6]H)(C[5]C[5,6]CH)	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5,6])(CHHO)(H){1|C<3>,1|N<3>,4|H<1>}	C(C[5]C[5,6]O[5]H)(OC)(H)2	O[5](C[5,6]N[6,6a]C[5,6]H)(C[5]C[5,6]CH){1|N<3>,2|C<3>,3|H<1>}	109.8720	0.000	1	109.8720	0.000	1	110.8825	2.042	2	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[5,6]O[5]H)(OC)(H)2	O[5](C[5]C[5,6]CH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CHHO)(H){3|C<4>,4|H<1>}	C(C[5]C[5,6]O[5]H)(OC)(H)2	O[5](C[5]C[5,6]CH)2{2|C<4>,2|H<1>}	108.8800	0.000	1	108.8800	0.000	1	109.3850	0.208	3	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]S[6]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[5,6]O[5]H)(OH)(H)2	O[5](C[5]C[5,6]N[6a]H)(C[5]C[5,6]CH)	C[5](C[5,6]C[5,6]S[6]H)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>}	C(C[5]C[5,6]O[5]H)(OH)(H)2	O[5](C[5]C[5,6]N[6a]H)(C[5]C[5,6]CH){1|O<2>,1|S<4>,2|C<3>,2|H<1>}	109.7660	0.000	1	109.6375	0.033	2	109.3850	0.208	3	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]S[6]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[5,6]O[5]H)(OH)(H)2	O[5](C[5]C[5,6]N[6a]H)(C[5]C[5,6]CH)	C[5](C[5,6]C[5,6]S[6]H)(O[5]C[5])(CHHO)(H){1|C<4>,2|H<1>,2|N<3>,2|O<1>}	C(C[5]C[5,6]O[5]H)(OH)(H)2	O[5](C[5]C[5,6]N[6a]H)(C[5]C[5,6]CH){1|N<3>,1|S<4>,2|C<3>,2|H<1>}	109.5090	0.000	1	109.6375	0.033	2	109.3850	0.208	3	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:F-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(F)	C(C[5]C[5]O[5]F)(OH)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CF)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(F){1|F<1>,1|N<3>,2|H<1>}	C(C[5]C[5]O[5]F)(OH)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CF){1|F<1>,1|O<2>,2|C<3>,2|H<1>}	110.5560	0.000	1	111.2743	0.406	3	111.2743	0.406	3	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:F-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(F)	C(C[5]C[5]O[5]F)(OH)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CF)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(F){1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]F)(OH)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CF){2|C<3>,2|H<1>,2|O<2>}	111.6335	0.197	2	111.2743	0.406	3	111.2743	0.406	3	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-2:Br-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H)	C(C[5]C[5]O[5]H)(CC)(Br)(H)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(CC)(Br)(H)	O[5](C[5]C[5]CH)2{1|O<2>,3|H<1>}	109.8800	0.000	1	109.8800	0.000	1	109.8800	0.000	1	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CH)(H)2	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(CH)(H)2	O[5](C[5]C[5]CH)2{1|O<2>,3|H<1>}	108.4510	0.000	1	108.4510	0.000	1	108.2260	3.039	5	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CC)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CC)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	108.1697	2.008	4	108.1697	4.031	4	108.2260	3.039	5	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-2:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHN)(H)	C(C[5]C[5]O[5]H)(NN)(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHN)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(NN)(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<2>}	109.3950	0.000	1	109.3950	0.000	1	109.3950	0.000	1	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5,6])(CHHN)(H)	C(C[5]C[5]O[5]H)(NC)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)	C[5](C[5]O[5]CH)(O[5]C[5,6])(CHHN)(H){2|C<4>}	C(C[5]C[5]O[5]H)(NC)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH){3|C<4>,5|H<1>}	110.1315	1.787	2	110.1315	3.193	2	110.1315	3.193	2	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)	C(C[5]C[5]O[5]H)(NN)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(NN)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,1|H<1>,2|O<2>}	106.1190	0.000	1	106.1190	0.000	1	109.3820	2.048	9	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)	C(C[5]C[5]O[5]H)(NN)(H)2	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|C<3>,3|H<1>}	C(C[5]C[5]O[5]H)(NN)(H)2	O[5](C[5]C[5]CH)2{1|O<2>,3|H<1>}	109.9597	0.868	4	109.9597	0.753	4	109.3820	2.048	9	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)	C(C[5]C[5]O[5]H)(NN)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|N<3>,3|H<1>}	C(C[5]C[5]O[5]H)(NN)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	108.9400	0.096	2	108.9400	0.009	2	109.3820	2.048	9	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CHHN)(H)	C(C[5]C[5]O[5]H)(NC)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CHHN)(H){2|C<4>}	C(C[5]C[5]O[5]H)(NC)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	110.3000	0.235	2	110.3000	0.055	2	109.3820	2.048	9	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[4,5]-4:C[5]-4:	C[5](C[5]C[4,5]HO)(O[5]C[4,5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[4,5]C[4,5]N[5a]C[4])(C[5]C[5]CH)	C[5](C[5]C[4,5]HO)(O[5]C[4,5])(CHHO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[4,5]C[4,5]N[5a]C[4])(C[5]C[5]CH){2|C<3>,2|O<2>,4|H<1>}	106.7540	0.000	1	106.7540	0.000	1	108.9410	3.652	3	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[4,5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[4,5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[4,5]C[4]2C[5])(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[4,5])(CHHO)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[4,5]C[4]2C[5])(C[5]C[5]CH){1|N<3>,2|O<2>,6|H<1>}	110.0345	0.360	2	110.0345	0.130	2	108.9410	3.652	3	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OS)(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CHHO)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(OS)(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|O<2>,2|C<4>,2|H<1>}	108.3600	0.000	1	108.3600	0.000	1	109.8779	3.374	34	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]C[5]O)(O[5]C[5,5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OSi)(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]C[5]O)(O[5]C[5,5])(CHHO)(H){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	C(C[5]C[5]O[5]H)(OSi)(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|H<1>,2|C<4>,2|O<2>}	113.0660	0.000	1	113.0660	0.000	1	109.8779	3.374	34	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]ClN)(O[5]C[5,5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OSi)(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]ClN)(O[5]C[5,5])(CHHO)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(OSi)(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	108.0170	0.000	1	108.0170	0.000	1	109.8779	3.374	34	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH){1|C<3>,1|O<2>,5|H<1>}	110.4985	0.515	2	110.4985	0.266	2	109.8779	3.374	34	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OS)(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CHHO)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(OS)(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,1|O<2>,3|H<1>}	112.0660	0.383	2	112.0660	0.147	2	109.8779	3.374	34	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	109.4240	0.000	1	109.4240	0.000	1	109.8779	3.374	34	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<2>}	108.9276	1.359	8	108.9276	1.847	8	109.8779	3.374	34	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5,5]N[5,6a]C[5,5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5,5]N[5,6a]C[5,5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	113.1470	0.000	1	113.1470	0.000	1	109.8779	3.374	34	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){1|N<2>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH){1|C<3>,2|H<1>,2|O<2>}	110.3830	0.000	1	110.3830	0.000	1	109.8779	3.374	34	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){1|C<4>,1|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<2>}	107.6790	0.000	1	107.6790	0.000	1	109.8779	3.374	34	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<2>}	113.0065	0.103	2	113.0065	0.011	2	109.8779	3.374	34	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	109.1300	0.140	2	109.1300	0.020	2	109.8779	3.374	34	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5,5]N[5,6a]C[5,5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5,5]N[5,6a]C[5,5]H)(C[5]C[5]CH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	112.9340	0.000	1	112.9340	0.000	1	109.8779	3.374	34	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OS)(H)2	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){1|C<4>,1|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(OS)(H)2	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<2>}	108.4955	0.484	2	108.4955	0.235	2	109.8779	3.374	34	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OS)(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(OS)(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<2>}	110.3430	2.401	2	110.3430	5.766	2	109.8779	3.374	34	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5,5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CH)	C[5](C[5]C[5]CH)(O[5]C[5,5])(CHHO)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CH){4|C<4>,4|H<1>}	107.5570	0.000	1	107.5570	0.000	1	109.8779	3.374	34	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(H){1|H<1>,3|C<4>}	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]CH){4|C<4>,6|H<1>}	110.2880	0.000	1	110.2880	0.000	1	109.8779	3.374	34	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5,5]C[5]3)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(H){2|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5,5]C[5]3)(C[5]C[5]CH){1|C<4>,1|N<4>,8|H<1>}	109.1420	0.000	1	109.1420	0.000	1	109.8779	3.374	34	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OSi)(H)2	O[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[5]C[5]O[5]H)(OSi)(H)2	O[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]CH){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	108.7940	0.000	1	108.7940	0.000	1	109.8779	3.374	34	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5,5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH)	C[5](C[5]N[5]HH)(O[5]C[5,5])(CHHO)(H){3|C<3>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CH){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	109.2795	0.462	2	109.2795	0.213	2	109.8779	3.374	34	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CHHO)(H){1|H<1>,3|C<4>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){3|C<4>,4|H<1>}	110.2230	0.000	1	110.2230	0.000	1	108.7132	1.600	13	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CHHO)(H){1|O<2>,1|S<4>,2|C<4>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH){1|S<4>,2|C<4>,4|H<1>}	111.2740	0.000	1	111.2740	0.000	1	108.7132	1.600	13	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){3|O<2>,4|H<1>}	109.6670	0.000	1	109.6670	0.000	1	108.7132	1.600	13	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,6])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5,6])(CHHO)(H){2|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH){1|C<4>,1|N<4>,8|H<1>}	108.5290	0.740	2	108.5290	0.547	2	108.7132	1.600	13	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5,6])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5,6])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]CH){1|C<4>,1|N<3>,1|O<2>,5|H<1>}	107.0080	0.000	1	107.0080	0.000	1	108.7132	1.600	13	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5,6])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC[6a])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)	C[5](C[5]O[5]CH)(O[5]C[5,6])(CHHO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(OC[6a])(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH){3|C<4>,5|H<1>}	107.9635	1.004	4	107.9635	1.007	4	108.7132	1.600	13	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)	C[5](C[5]O[5]HH)(O[5]C[5,6])(CHHO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH){3|C<4>,5|H<1>}	108.7293	0.575	3	108.7293	0.330	3	108.7132	1.600	13	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CC)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]CC)(O[5]C[5])(CHHO)(H){1|H<1>,1|N<3>,2|F<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){2|C<3>,2|C<4>,2|F<1>}	106.8390	0.000	1	106.8390	0.000	1	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]C[5]CH)2{1|C<4>,1|O<2>,2|H<1>}	107.6230	3.113	2	107.6230	9.689	2	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	110.0740	0.000	1	110.0740	0.000	1	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC[5])(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H){1|O<2>,3|H<1>}	C(C[5]C[5]O[5]H)(OC[5])(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HO){1|C<3>,3|H<1>}	109.7200	0.000	1	109.7200	0.000	1	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]CH)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	107.6310	0.000	1	107.6310	0.000	1	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]FH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]FH)(O[5]C[5])(CHHO)(H){1|F<1>,1|N<3>,2|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){2|C<3>,2|F<1>,2|H<1>}	110.0160	0.000	1	110.0160	0.000	1	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]FH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]FH)(O[5]C[5])(CHHO)(H){1|F<1>,1|N<3>,2|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,2|F<1>,2|H<1>}	110.9220	0.000	1	109.8603	1.429	8	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]FH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]FH)(O[5]C[5])(CHHO)(H){1|F<1>,1|N<3>,2|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|F<1>,2|H<1>}	108.8580	0.000	1	109.8603	1.429	8	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]FH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]FH)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|F<1>,1|O<2>,2|C<3>,2|H<1>}	109.8503	1.254	6	109.8603	1.429	8	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|O<1>,2|C<4>}	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]CH){1|O<1>,2|H<1>}	108.2950	0.000	1	108.2950	0.000	1	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|C<3>,3|H<1>}	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,3|H<1>}	110.0000	0.000	1	110.0000	0.000	1	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	106.7630	0.000	1	108.6460	5.440	3	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|C<3>,1|S<4>,2|H<1>}	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|S<4>,2|C<3>,3|H<1>}	109.5875	2.358	2	108.6460	5.440	3	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC[6a])(H)2	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|C<2>,3|H<1>}	C(C[5]C[5]O[5]H)(OC[6a])(H)2	O[5](C[5]C[5]CH)2{4|H<1>}	108.3830	0.000	1	108.3830	0.000	1	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	111.1190	0.000	1	108.5026	2.208	5	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){2|C<3>,4|H<1>}	107.8485	0.302	4	108.5026	2.208	5	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	109.1760	0.000	1	109.1760	0.000	1	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	108.1510	0.000	1	108.1510	0.000	1	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OS)(H)2	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OS)(H)2	O[5](C[5]C[5]CH)2{1|O<2>,3|H<1>}	108.9740	0.000	1	108.9740	0.000	1	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OSi)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHO)(H){1|C<4>,1|N<3>,2|H<1>}	C(C[5]C[5]O[5]H)(OSi)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|C<4>,2|C<3>,3|H<1>}	110.2790	0.000	1	110.2790	0.000	1	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HI)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HI)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]C[5]CH)2{1|I<1>,1|O<2>,2|H<1>}	107.2140	0.000	1	107.2140	0.000	1	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HI)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]CO)	C[5](C[5]C[5]HI)(O[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]CO){1|I<1>,1|O<2>,2|H<1>}	107.6110	0.000	1	107.6110	0.000	1	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HI)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OSi)(H)2	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HI)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C(C[5]C[5]O[5]H)(OSi)(H)2	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|I<1>,2|C<3>,3|H<1>}	109.7780	0.000	1	109.7780	0.000	1	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HN)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HN)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|N<2>,2|C<3>,3|H<1>}	110.0900	0.093	2	110.3100	0.071	4	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HN)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HN)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|N<3>,2|C<3>,3|H<1>}	110.5300	0.096	2	110.3100	0.071	4	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]C[3]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]C[3]C[5]H)(C[5]C[5]CH){1|C<4>,2|O<2>,4|H<1>}	109.5330	0.000	1	109.5330	0.000	1	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]CO)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]CO){2|H<1>,2|O<2>}	112.6320	0.946	2	112.6320	0.895	2	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HN)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HN){1|O<2>,3|H<1>}	109.5967	0.488	3	109.5967	0.238	3	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HO){1|C<4>,1|O<2>,2|H<1>}	109.6340	0.492	2	109.8096	1.057	8	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|O<2>,3|H<1>}	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HO){1|O<2>,3|H<1>}	109.7645	2.324	2	109.8096	1.057	8	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|Se<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HO){1|Se<4>,1|O<2>,2|H<1>}	109.8830	0.000	1	109.8096	1.057	8	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HO){2|H<1>,2|O<2>}	109.9323	0.904	3	109.8096	1.057	8	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]C[5a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]C[5a]C[5]H)(C[5]C[5]CH){1|N<2>,2|H<1>,3|O<2>}	110.2020	0.000	1	110.2020	0.000	1	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	109.1590	0.000	1	109.1590	0.000	1	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,2|H<1>,2|O<2>}	109.1495	0.515	2	108.8046	1.678	13	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	108.7693	1.654	7	108.8046	1.678	13	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	108.6940	1.027	4	108.8046	1.678	13	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	109.4925	0.395	2	109.2962	0.910	9	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	109.2401	1.082	7	109.2962	0.910	9	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]2H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]2H)(C[5]C[5]CH){1|C<4>,2|O<2>,4|H<1>}	107.1650	0.000	2	107.1650	0.000	2	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]CN)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]CN){2|H<1>,2|O<2>}	107.9620	0.000	1	107.9620	0.000	1	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]CO)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]CO){2|H<1>,2|O<2>}	110.1623	1.323	8	110.1623	1.751	8	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|O<2>,3|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HH){2|H<1>,2|O<2>}	109.2770	0.000	1	109.2770	0.000	1	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HN)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HN){1|O<2>,3|H<1>}	109.5120	0.000	1	109.5120	0.000	1	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HO){1|H<1>,1|O<2>,2|C<4>}	110.6690	0.000	1	110.0644	1.783	8	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|O<2>,3|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HO){1|O<2>,3|H<1>}	111.0940	0.000	1	110.0644	1.783	8	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HO){2|H<1>,2|O<2>}	109.7920	1.457	6	110.0644	1.783	8	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]CH)2{2|H<1>,2|O<2>}	109.3000	0.000	1	109.4183	0.010	4	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]CH)2{1|O<2>,3|H<1>}	109.4577	0.075	3	109.4183	0.010	4	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	109.3620	0.000	1	108.5563	1.549	21	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	108.3716	0.951	12	108.5563	1.549	21	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]N[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	108.7327	1.679	8	108.5563	1.549	21	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|H<1>,1|N<3>,2|F<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	107.5130	0.000	1	108.4725	0.809	6	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){1|C<2>,1|C<3>,1|O<2>,3|H<1>}	109.0170	0.000	1	108.4725	0.809	6	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	108.5763	0.963	4	108.4725	0.809	6	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5a]C[5]H)(C[5]C[5]CH){1|C<3>,1|S<2>,2|H<1>,2|O<2>}	109.0882	0.955	10	109.0882	0.911	10	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,2|H<1>,2|O<2>}	108.9425	1.128	4	108.7160	1.420	27	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	108.5327	1.530	12	108.7160	1.420	27	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,3|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	108.8336	0.813	11	108.7160	1.420	27	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|F<1>,1|N<3>,2|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|C<3>,1|F<1>,1|N<2>,1|O<2>,2|H<1>}	108.9530	0.000	1	109.1164	1.523	84	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|F<1>,1|N<3>,2|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|F<1>,1|O<1>,2|C<3>,2|H<1>}	107.8150	0.000	1	109.1164	1.523	84	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|F<1>,1|N<3>,2|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|F<1>,1|O<2>,2|C<3>,2|H<1>}	108.4435	1.183	4	109.1164	1.523	84	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,2|H<1>,2|O<2>}	109.2496	0.810	11	109.1164	1.523	84	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	109.0435	0.748	11	109.1164	1.523	84	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,1|O<2>,3|H<1>}	110.0511	1.262	15	109.1164	1.523	84	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|O<1>,2|C<3>,3|H<1>}	109.0345	2.502	4	109.1164	1.523	84	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	108.8408	1.170	37	109.1164	1.523	84	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|Br<1>,1|F<1>,1|H<1>,1|N<3>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|Br<1>,1|F<1>,1|H<1>,1|O<2>,2|C<3>}	110.1470	0.314	2	109.5437	1.178	80	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|Br<1>,1|N<3>,2|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|Br<1>,1|O<2>,2|C<3>,2|H<1>}	109.0500	0.000	1	109.5437	1.178	80	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|C<4>,1|F<1>,1|H<1>,1|O<2>,2|C<3>}	109.5530	0.000	1	109.5437	1.178	80	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	108.5470	0.490	3	109.5437	1.178	80	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|F<1>,1|N<3>,2|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|C<3>,1|F<1>,1|N<2>,1|O<2>,2|H<1>}	108.9080	0.000	1	109.5437	1.178	80	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|F<1>,1|N<3>,2|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|F<1>,1|O<2>,2|C<3>,2|H<1>}	108.3702	1.589	4	109.5437	1.178	80	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	109.6032	0.834	22	109.5437	1.178	80	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|C<3>,1|N<2>,1|O<2>,3|H<1>}	109.6180	0.672	3	109.5437	1.178	80	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	109.6848	1.181	43	109.5437	1.178	80	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OP)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C(C[5]C[5]O[5]H)(OP)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HH){1|N<3>,1|O<2>,2|H<1>}	107.8630	0.000	1	107.8630	0.000	1	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OP)(H)2	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OP)(H)2	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	109.7490	1.415	3	109.8473	1.374	4	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OP)(H)2	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C(C[5]C[5]O[5]H)(OP)(H)2	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	110.1420	0.000	1	109.8473	1.374	4	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OP)(H)2	O[5](C[5]C[5a]C[5]C)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<2>,1|C<3>,1|H<1>,1|O<2>}	C(C[5]C[5]O[5]H)(OP)(H)2	O[5](C[5]C[5a]C[5]C)(C[5]C[5]CH){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	105.4830	0.000	1	105.4830	0.000	1	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OP)(H)2	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>}	C(C[5]C[5]O[5]H)(OP)(H)2	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|C<4>,1|F<1>,1|H<1>,1|O<2>,2|C<3>}	109.9160	0.000	1	109.1540	1.406	4	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OP)(H)2	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OP)(H)2	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	108.9000	1.312	3	109.1540	1.406	4	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OP)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OP)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	110.7600	0.000	1	110.3512	1.933	4	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OP)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C(C[5]C[5]O[5]H)(OP)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	110.2150	1.670	3	110.3512	1.933	4	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OP[6])(H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,3|H<1>}	C(C[5]C[5]O[5]H)(OP[6])(H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	108.8650	0.000	1	108.8650	0.000	1	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OS)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|O<2>,3|H<1>}	C(C[5]C[5]O[5]H)(OS)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HH){2|H<1>,2|O<2>}	110.1420	0.000	1	110.1420	0.000	1	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OS)(H)2	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OS)(H)2	O[5](C[5]C[5]CH)2{2|H<1>,2|O<2>}	110.3620	0.000	1	110.3620	0.000	1	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OS)(H)2	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OS)(H)2	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	109.1860	0.000	1	109.1860	0.000	1	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OS)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C(C[5]C[5]O[5]H)(OS)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	109.0215	0.086	2	109.0215	0.007	2	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OSi)(H)2	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C(C[5]C[5]O[5]H)(OSi)(H)2	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	109.3043	1.581	3	109.3043	2.501	3	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OSi)(H)2	O[5](C[5]C[6a]C[5]O)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(OSi)(H)2	O[5](C[5]C[6a]C[5]O)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	107.8330	0.086	2	107.8330	0.007	2	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OSi)(H)2	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(OSi)(H)2	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	106.7560	0.000	1	109.4993	3.400	6	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OSi)(H)2	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C(C[5]C[5]O[5]H)(OSi)(H)2	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	110.0480	1.411	5	109.4993	3.400	6	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OSi)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C(C[5]C[5]O[5]H)(OSi)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	110.2100	0.000	1	110.2100	0.000	1	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]N[5]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]N[5]H)(O[5]C[5])(CHHO)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){1|N<3>,2|C<3>,3|H<1>}	106.9880	0.000	1	106.9880	0.000	1	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OS)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[5]C[5]O[5]H)(OS)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	109.7230	0.000	1	109.7230	0.000	1	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CHHO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(OC)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	107.4220	0.000	1	107.4220	0.000	1	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CHHO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(OH)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	108.1467	1.621	7	108.1467	2.629	7	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OS)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CHHO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(OS)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<3>,1|H<1>}	108.8560	0.000	1	108.8560	0.000	1	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC[6a])(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CHHO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(OC[6a])(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	107.5386	1.445	8	107.5386	2.089	8	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC[6a])(H)2	O[5](C[5]C[6a]O[5]C)(C[5]C[5]CH)	C[5](C[5]O[5]HH)(O[5]C[5])(CHHO)(H){1|C<3>,1|C<4>}	C(C[5]C[5]O[5]H)(OC[6a])(H)2	O[5](C[5]C[6a]O[5]C)(C[5]C[5]CH){2|C<3>,2|H<1>}	109.1799	1.679	7	109.1799	2.818	7	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OS)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CHHO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(OS)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	108.6160	0.000	1	108.6160	0.000	1	109.1561	1.740	387	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:S-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHS)(H)	C(C[5]C[5]O[5]H)(SC)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHS)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(SC)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HO){2|H<1>,2|O<2>}	108.8800	0.000	1	108.8800	0.000	1	109.0464	0.292	5	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:S-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHS)(H)	C(C[5]C[5]O[5]H)(SC)(H)2	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHS)(H){1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(SC)(H)2	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	109.0710	0.000	1	109.0710	0.000	1	109.0464	0.292	5	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:S-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HS)(O[5]C[5])(CHHS)(H)	C(C[5]C[5]O[5]H)(SH)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HS)(O[5]C[5])(CHHS)(H){1|N<3>,3|H<1>}	C(C[5]C[5]O[5]H)(SH)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|S<2>,2|C<3>,3|H<1>}	109.8840	0.000	1	109.8840	0.000	1	109.0464	0.292	5	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:S-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CHHS)(H)	C(C[5]C[5]O[5]H)(SC[6a])(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CHHS)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[5]C[5]O[5]H)(SC[6a])(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	108.6985	0.445	2	108.6985	0.198	2	109.0464	0.292	5	109.2818	1.997	507	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-2:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CC)(OH)(H)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(CC)(OH)(H)	O[5](C[5]C[5]CH)2{1|O<2>,3|H<1>}	110.6165	0.674	2	110.6165	0.454	2	110.6165	0.454	2	110.6165	0.454	2	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:4:1:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:C-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHO)(H)	C(C[5]C[5,5]O[5]H)(OC[6])(CCHN)(H)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHO)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[5]C[5,5]O[5]H)(OC[6])(CCHN)(H)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO){2|H<1>,2|O<2>}	110.3170	0.000	1	110.3170	0.000	1	110.3170	0.000	1	109.5927	0.517	6	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:4:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-2:C-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(OC[6])(CCHH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(OC[6])(CCHH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	109.1473	0.571	3	109.1473	0.326	3	109.1473	0.326	3	109.5927	0.517	6	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:2:4:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:Se-2:C-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CSeCH)(H)	C(C[5]C[5]O[5]H)(SeC[6a])(CCHH)(H)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CSeCH)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]O[5]H)(SeC[6a])(CCHH)(H)	O[5](C[5]C[5]CH)2{1|C<4>,1|O<2>,2|H<1>}	109.8985	0.793	2	109.8985	0.628	2	109.8985	0.628	2	109.5927	0.517	6	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	N[5]-3:C[5]-4:	C[5](C[5]C[5]HH)(O[5]N[5])(CHHN)(H)	C(C[5]C[5]O[5]H)(NCC)(H)2	O[5](N[5]C[6a]C[5])(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]N[5])(CHHN)(H){1|H<1>,2|C<3>}	C(C[5]C[5]O[5]H)(NCC)(H)2	O[5](N[5]C[6a]C[5])(C[5]C[5]CH){3|C<3>,3|H<1>}	109.4580	0.000	1	109.4580	0.000	1	109.4580	0.000	1	109.4580	0.000	1	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[3,5]-4:O[5]-2:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CN[5]HH)(H)	C(C[5]C[3,5]O[5]H)(N[5]C[5]2)(H)2	O[5](C[5]C[3,5]CH)(C[5]C[3,5]HS)	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CN[5]HH)(H){1|S<2>,2|H<1>}	C(C[5]C[3,5]O[5]H)(N[5]C[5]2)(H)2	O[5](C[5]C[3,5]CH)(C[5]C[3,5]HS){1|O<2>,2|H<1>}	109.1020	0.000	1	109.1020	0.000	1	109.1020	0.000	1	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5,5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,5,6]O[5]H)(CCH)(H)2	O[5](C[5]C[5,5,6]CH)2	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(CCHH)(H){3|H<1>,4|C<4>}	C(C[5]C[5,5,6]O[5]H)(CCH)(H)2	O[5](C[5]C[5,5,6]CH)2{2|C<4>,2|H<1>}	112.3550	0.000	1	112.3550	0.000	1	112.3550	0.000	1	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,5]O[5]H)(COO)(H)2	O[5](C[5]C[3x5]HH)(C[5]C[5,5]CH)	C[5](C[5,5]C[3x5]C[5]H)(O[5]C[5])(CCHH)(H){1|C<3>,2|H<1>,4|C<4>}	C(C[5]C[5,5]O[5]H)(COO)(H)2	O[5](C[5]C[3x5]HH)(C[5]C[5,5]CH){1|C<3>,1|H<1>,2|C<4>}	108.3775	1.546	2	108.3775	2.391	2	107.1772	2.164	5	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,5]O[5]H)(CCO)(H)2	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[5]C[5,5]O[5]H)(CCO)(H)2	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH){2|C<3>,2|C<4>,2|H<1>}	107.2500	0.000	1	107.2500	0.000	1	107.1772	2.164	5	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,5]O[5]H)(CN[6]S)(H)2	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[5,5]O[5]H)(CN[6]S)(H)2	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]CH){1|C<4>,3|H<1>,3|O<2>}	105.9405	0.565	2	105.9405	0.319	2	107.1772	2.164	5	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHN)(H)	C(C[5]C[5,5]O[5]H)(NC[6]H)(H)2	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHN)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[5]C[5,5]O[5]H)(NC[6]H)(H)2	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO){2|H<1>,2|O<2>}	111.3320	0.000	1	111.3320	0.000	1	110.3185	2.054	2	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHN)(H)	C(C[5]C[5,5]O[5]H)(NC[6]H)(H)2	O[5](C[5]C[5,5]N[6]H)(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CHHN)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5,5]O[5]H)(NC[6]H)(H)2	O[5](C[5]C[5,5]N[6]H)(C[5]C[5,5]CH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	109.3050	0.000	1	109.3050	0.000	1	110.3185	2.054	2	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:N[6]-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CN[6]HH)(H)	C(C[5]C[5,5]O[5]H)(N[6]C[6]2)(H)2	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CN[6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[5]C[5,5]O[5]H)(N[6]C[6]2)(H)2	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HH){2|H<1>,2|O<2>}	110.4470	0.000	1	110.4470	0.000	1	110.4470	0.000	1	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(CCHH)(H)	C(C[5]C[5,6]O[5]H)(CCO)(H)2	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(CCHH)(H){2|C<3>,2|C<4>,3|H<1>}	C(C[5]C[5,6]O[5]H)(CCO)(H)2	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH){1|C<3>,2|H<1>,3|C<4>}	108.5950	0.000	1	108.5950	0.000	1	108.5950	0.000	1	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6]O[5]H)(CCC)(H)2	O[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[5,6]O[5]H)(CCC)(H)2	O[5](C[5]C[5,6]CH)(C[5]C[5,6]HO){1|C<3>,1|C<4>,2|H<1>}	110.7575	0.142	2	110.7575	0.020	2	109.6141	3.276	15	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6]O[5]H)(CCC)(H)2	O[5](C[5]C[5,6]CH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<3>,2|H<1>,3|C<4>}	C(C[5]C[5,6]O[5]H)(CCC)(H)2	O[5](C[5]C[5,6]CH)2{1|C<3>,1|C<4>,2|H<1>}	109.1193	2.223	3	109.7050	2.350	7	109.6141	3.276	15	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6]O[5]H)(CCC)(H)2	O[5](C[5]C[5,6]CH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[5]C[5,6]O[5]H)(CCC)(H)2	O[5](C[5]C[5,6]CH)2{1|C<3>,1|C<4>,2|H<1>}	110.2630	0.000	1	109.7050	2.350	7	109.6141	3.276	15	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6]O[5]H)(CCC)(H)2	O[5](C[5]C[5,6]CH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|O<1>,2|H<1>,3|C<4>}	C(C[5]C[5,6]O[5]H)(CCC)(H)2	O[5](C[5]C[5,6]CH)2{1|C<3>,1|C<4>,2|H<1>}	110.1047	1.095	3	109.7050	2.350	7	109.6141	3.276	15	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6]O[5]H)(CCH)(H)2	O[5](C[5]C[5,6]CH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<3>,2|H<1>,3|C<4>}	C(C[5]C[5,6]O[5]H)(CCH)(H)2	O[5](C[5]C[5,6]CH)2{1|C<3>,1|C<4>,2|H<1>}	108.2810	1.741	2	110.0863	5.443	4	109.6141	3.276	15	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6]O[5]H)(CCH)(H)2	O[5](C[5]C[5,6]CH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){2|C<3>,2|C<4>,3|H<1>}	C(C[5]C[5,6]O[5]H)(CCH)(H)2	O[5](C[5]C[5,6]CH)2{1|C<3>,1|C<4>,2|H<1>}	111.5300	0.000	1	110.0863	5.443	4	109.6141	3.276	15	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6]O[5]H)(CCH)(H)2	O[5](C[5]C[5,6]CH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){3|C<4>,4|H<1>}	C(C[5]C[5,6]O[5]H)(CCH)(H)2	O[5](C[5]C[5,6]CH)2{2|C<4>,2|H<1>}	112.2530	0.000	1	110.0863	5.443	4	109.6141	3.276	15	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6]O[5]H)(CCO)(H)2	O[5](C[5]C[5,6]CH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[5]C[5,6]O[5]H)(CCO)(H)2	O[5](C[5]C[5,6]CH)2{2|C<4>,2|H<1>}	107.5810	0.000	1	107.2085	0.278	2	109.6141	3.276	15	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6]O[5]H)(CCO)(H)2	O[5](C[5]C[5,6]CH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,6]O[5]H)(CCO)(H)2	O[5](C[5]C[5,6]CH)2{1|C<3>,1|C<4>,2|H<1>}	106.8360	0.000	1	107.2085	0.278	2	109.6141	3.276	15	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:Br-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CBrCH)(H)	C(C[5]C[5]O[5]H)(COS)(Br)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CBrCH)(H){2|C<4>}	C(C[5]C[5]O[5]H)(COS)(Br)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	108.2250	0.000	1	108.2250	0.000	1	108.2250	0.000	1	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:F-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CCFH)(H)	C(C[5]C[5]O[5]H)(COO)(F)(H)	O[5](C[5]C[5]CH)(C[5]N[5]CC)	C[5](C[5]N[5]CH)(O[5]C[5])(CCFH)(H){1|C<3>,2|C<4>}	C(C[5]C[5]O[5]H)(COO)(F)(H)	O[5](C[5]C[5]CH)(C[5]N[5]CC){1|C<3>,1|C<4>,1|H<1>}	111.3470	0.000	1	111.3470	0.000	1	110.7657	0.806	3	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:F-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCFH)(H)	C(C[5]C[5]O[5]H)(CCH)(F)(H)	O[5](C[5]C[6a]2O[5])(C[5]C[5]CH)	C[5](C[5]O[5]HH)(O[5]C[5])(CCFH)(H){2|C<3>}	C(C[5]C[5]O[5]H)(CCH)(F)(H)	O[5](C[5]C[6a]2O[5])(C[5]C[5]CH){2|H<1>,4|C<3>}	110.4750	1.051	2	110.4750	1.104	2	110.7657	0.806	3	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]SiH)(O[5]C[5,5])(CCHH)(H)	C(C[5]C[5]O[5]H)(COO)(H)2	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)	C[5](C[5]C[5]SiH)(O[5]C[5,5])(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5]O[5]H)(COO)(H)2	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH){1|Si<4>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	105.3295	0.218	2	105.3295	0.048	2	105.3295	0.048	2	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HN)(O[5]C[5,6])(CCHH)(H)	C(C[5]C[5]O[5]H)(COO)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5](C[5]C[5,6]HN)(O[5]C[5,6])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(COO)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){1|N<2>,2|O<2>,4|H<1>}	110.4140	0.000	1	110.4140	0.000	1	110.4140	0.000	1	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HS)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|S<4>,3|H<1>}	C(C[5]C[5]O[5]H)(CCH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HS){1|C<4>,3|H<1>}	107.4680	0.000	1	107.4680	0.000	1	108.9035	1.431	24	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCH)(H)2	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(CCH)(H)2	O[5](C[5]C[5]CH)2{1|C<4>,1|O<2>,2|H<1>}	107.9660	0.000	1	107.9660	0.000	1	108.9035	1.431	24	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(COO)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){4|H<1>}	C(C[5]C[5]O[5]H)(COO)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,3|H<1>}	106.3930	0.000	1	106.3930	0.000	1	108.9035	1.431	24	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCC)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){4|H<1>}	C(C[5]C[5]O[5]H)(CCC)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HH){4|H<1>}	109.9380	0.000	1	109.9380	0.000	1	108.9035	1.431	24	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCO)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(CCO)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]CH){1|O<1>,2|H<1>}	109.9663	0.961	4	109.9663	0.923	4	108.9035	1.431	24	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CNO)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){4|H<1>}	C(C[5]C[5]O[5]H)(CNO)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HH){4|H<1>}	109.0510	0.000	1	109.0510	0.000	1	108.9035	1.431	24	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HN)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCO)(H)2	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HN)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(CCO)(H)2	O[5](C[5]C[5]CH)2{1|N<3>,1|O<2>,2|H<1>}	108.6340	0.000	1	108.6340	0.000	1	108.9035	1.431	24	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCH)(H)2	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H){1|C<2>,3|H<1>}	C(C[5]C[5]O[5]H)(CCH)(H)2	O[5](C[5]C[5]CH)2{1|O<2>,3|H<1>}	109.4760	0.000	1	108.7239	0.451	7	108.9035	1.431	24	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCH)(H)2	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(CCH)(H)2	O[5](C[5]C[5]CH)2{1|O<2>,3|H<1>}	108.5985	0.640	6	108.7239	0.451	7	108.9035	1.431	24	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCH)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCH)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<3>,1|H<1>}	109.4100	0.000	1	109.4264	2.290	5	108.9035	1.431	24	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCH)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCH)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	109.4305	1.747	4	109.4264	2.290	5	108.9035	1.431	24	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCN)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]HH)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H){2|H<1>}	C(C[5]C[5]O[5]H)(CCN)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]HH){1|C<4>,1|H<1>}	108.5390	0.000	1	108.5390	0.000	1	108.9035	1.431	24	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCO)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHH)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCO)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	107.6310	0.000	1	107.6310	0.000	1	108.9035	1.431	24	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC[6a]HH)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC[6a]HH)(H){2|C<3>,2|C<4>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	112.3880	0.000	1	112.3880	0.000	1	112.3880	0.000	1	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	B[5,5]-4:C[5]-4:	C[5](C[5]N[5]HH)(O[5]B[5,5])(CHHN)(H)	C(C[5]C[5]O[5]H)(NCC)(H)2	O[5](B[5,5]N[5]O[5]2)(C[5]C[5]CH)	C[5](C[5]N[5]HH)(O[5]B[5,5])(CHHN)(H){2|C<4>,2|O<2>}	C(C[5]C[5]O[5]H)(NCC)(H)2	O[5](B[5,5]N[5]O[5]2)(C[5]C[5]CH){2|H<1>,4|C<4>}	109.0320	0.000	1	109.0320	0.000	1	109.0320	0.000	1	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]CN)(O[5]C[5,5])(CHHN)(H)	C(C[5]C[5]O[5]H)(NCC)(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]CN)(O[5]C[5,5])(CHHN)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(NCC)(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	108.5560	0.000	1	108.5560	0.000	1	108.4385	0.684	4	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHN)(H)	C(C[5]C[5]O[5]H)(NOsC)(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHN)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(NOsC)(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	107.5270	0.000	1	107.5270	0.000	1	108.4385	0.684	4	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHN)(H)	C(C[5]C[5]O[5]H)(NRuC)(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHN)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(NRuC)(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	108.1680	0.000	1	108.1680	0.000	1	108.4385	0.684	4	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHN)(H)	C(C[5]C[5]O[5]H)(NCC)(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHN)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(NCC)(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<2>}	109.5030	0.000	1	109.5030	0.000	1	108.4385	0.684	4	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H)	C(C[5]C[5]O[5]H)(NCC)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H){4|H<1>}	C(C[5]C[5]O[5]H)(NCC)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HH){4|H<1>}	109.8800	0.000	2	109.8800	0.000	2	108.9897	2.057	24	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H)	C(C[5]C[5]O[5]H)(NCH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H){4|H<1>}	C(C[5]C[5]O[5]H)(NCH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HH){4|H<1>}	110.1500	0.505	2	110.1500	0.255	2	108.9897	2.057	24	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H)	C(C[5]C[5]O[5]H)(NCH)(H)2	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(NCH)(H)2	O[5](C[5]C[5]CH)2{4|H<1>}	108.9680	1.692	9	108.9680	2.862	9	108.9897	2.057	24	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H)	C(C[5]C[5]O[5]H)(NRuC)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H){4|H<1>}	C(C[5]C[5]O[5]H)(NRuC)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HH){4|H<1>}	110.4440	0.000	1	110.4440	0.000	1	108.9897	2.057	24	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)	C(C[5]C[5]O[5]H)(NCH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]CO)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|C<4>,1|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(NCH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]CO){2|H<1>,2|O<2>}	110.4160	0.000	1	110.4160	0.000	1	108.9897	2.057	24	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)	C(C[5]C[5]O[5]H)(NCH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(NCH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,1|H<1>,2|O<2>}	107.7515	1.129	2	107.7515	1.275	2	108.9897	2.057	24	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)	C(C[5]C[5]O[5]H)(NCH)(H)2	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|C<3>,3|H<1>}	C(C[5]C[5]O[5]H)(NCH)(H)2	O[5](C[5]C[5]CH)2{1|O<2>,3|H<1>}	108.2773	0.708	3	108.2773	0.502	3	108.9897	2.057	24	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H)	C(C[5]C[5]O[5]H)(NReC)(H)2	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(H){1|N<3>,3|H<1>}	C(C[5]C[5]O[5]H)(NReC)(H)2	O[5](C[5]C[5]N[6]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	106.4890	0.000	1	106.4890	0.000	1	108.9897	2.057	24	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CHHN)(H)	C(C[5]C[5]O[5]H)(NCuC)(H)2	O[5](C[5]C[6]N[5]H)(C[5]C[5]CH)	C[5](C[5]N[5]HH)(O[5]C[5])(CHHN)(H){1|Cu<6>,1|C<3>,2|H<1>}	C(C[5]C[5]O[5]H)(NCuC)(H)2	O[5](C[5]C[6]N[5]H)(C[5]C[5]CH){1|Cu<6>,1|C<3>,1|N<3>,3|H<1>}	108.8720	0.000	1	108.8720	0.000	1	108.9897	2.057	24	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CHHN)(H)	C(C[5]C[5]O[5]H)(NNiC)(H)2	O[5](C[5]C[6]N[5]H)(C[5]C[5]CH)	C[5](C[5]N[5]HH)(O[5]C[5])(CHHN)(H){1|Ni<6>,1|C<3>,2|H<1>}	C(C[5]C[5]O[5]H)(NNiC)(H)2	O[5](C[5]C[6]N[5]H)(C[5]C[5]CH){1|Ni<6>,1|C<3>,1|N<3>,3|H<1>}	110.3270	0.000	1	110.3270	0.000	1	108.9897	2.057	24	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CC)(O[5]C[5])(CHHN)(H)	C(C[5]C[5]O[5]H)(NCH)(H)2	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)	C[5](C[5]O[5]CC)(O[5]C[5])(CHHN)(H){1|C<3>,1|H<1>}	C(C[5]C[5]O[5]H)(NCH)(H)2	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH){1|C<2>,1|C<4>,2|C<3>}	108.0980	0.000	1	108.0980	0.000	1	108.9897	2.057	24	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HS)(O[5]C[5])(CN[5]HH)(H)	C(C[5]C[5]O[5]H)(N[5]C[5]2)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HS)(O[5]C[5])(CN[5]HH)(H){1|N<3>,3|H<1>}	C(C[5]C[5]O[5]H)(N[5]C[5]2)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|S<2>,2|C<3>,3|H<1>}	109.4040	0.000	1	109.4040	0.000	1	110.8840	2.851	5	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CN[5]HH)(H)	C(C[5]C[5]O[5]H)(N[5]C[5]2)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CN[5]HH)(H){2|C<4>}	C(C[5]C[5]O[5]H)(N[5]C[5]2)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	111.2540	1.700	4	111.2540	2.889	4	110.8840	2.851	5	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N[6]-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(CN[6]HH)(H)	C(C[5]C[5]O[5]H)(N[6]C[6]2)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)	C[5](C[5]O[5]HH)(O[5]C[5,6])(CN[6]HH)(H){2|C<3>}	C(C[5]C[5]O[5]H)(N[6]C[6]2)(H)2	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH){2|C<3>,2|H<1>,2|N<3>}	109.1150	0.000	1	109.1150	0.000	1	109.1150	0.000	1	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N[6]-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CN[6]HH)(H)	C(C[5]C[5]O[5]H)(N[6]C[6]2)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(CN[6]HH)(H){4|H<1>}	C(C[5]C[5]O[5]H)(N[6]C[6]2)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HH){4|H<1>}	108.1570	0.000	1	108.1570	0.000	1	108.7645	0.738	2	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N[6]-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CN[6]HH)(H)	C(C[5]C[5]O[5]H)(N[6]C[5a,6]2)(H)2	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CN[6]HH)(H){1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(N[6]C[5a,6]2)(H)2	O[5](C[5]N[5a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	109.3720	0.000	1	109.3720	0.000	1	108.7645	0.738	2	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CN[6a]HH)(H)	C(C[5]C[5]O[5]H)(N[6a]C[6a]2)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CN[6a]HH)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(N[6a]C[6a]2)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){1|C<3>,1|O<2>,4|H<1>}	109.8370	0.000	1	109.8370	0.000	1	109.8370	0.000	1	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-3:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OPtH)(H)2	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)(H){1|C<4>,1|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(OPtH)(H)2	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]CH){1|C<4>,1|O<2>,1|O<3>,2|H<1>}	107.7010	0.000	1	107.7010	0.000	1	107.7010	0.000	1	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OCoC)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|O<2>,1|O<3>,2|H<1>}	C(C[5]C[5]O[5]H)(OCoC)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HO){2|H<1>,2|O<3>}	109.0190	0.000	1	109.0190	0.000	1	109.1683	0.063	3	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:O-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(ONiH)(H)2	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)	C[5](C[5]N[5]HH)(O[5]C[5])(CHHO)(H){1|Ni<6>,1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]O[5]H)(ONiH)(H)2	O[5](C[5]C[6a]N[5]H)(C[5]C[5]CH){1|Ni<6>,1|C<4>,2|C<3>,2|H<1>}	109.2430	0.304	2	109.2430	0.092	2	109.1683	0.063	3	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:S-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHS)(H)	C(C[5]C[5]O[5]H)(SC[6a]O)(H)2	O[5](C[5]C[5]C[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHS)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(SC[6a]O)(H)2	O[5](C[5]C[5]C[6]H)(C[5]C[5]CH){1|C<4>,1|O<2>,5|H<1>}	109.0325	0.006	2	109.0325	0.000	2	109.0325	0.000	2	109.1335	2.598	102	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:2:1:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(CCHO)(H)	C(C[5]C[5,5]O[5]H)(CNO)(OH)(H)	O[5](C[5]C[5,5]CH)2	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[5,5]O[5]H)(CNO)(OH)(H)	O[5](C[5]C[5,5]CH)2{1|C<4>,1|H<1>,2|O<2>}	110.2510	0.000	1	110.2510	0.000	1	110.2510	0.000	1	109.0851	2.040	31	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:C-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCCH)(H)	C(C[5]C[5]O[5]H)(CCC)(CC)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CCCH)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCC)(CC)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	108.4170	0.000	1	108.4170	0.000	1	108.4170	0.000	1	109.0851	2.040	31	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCC)(OH)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(CCC)(OH)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<2>}	111.1760	0.000	1	111.1760	0.000	1	111.1760	0.000	1	109.0851	2.040	31	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCO)(OC)(H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)	C[5](C[5]O[5]HH)(O[5]C[5,6])(CCHO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCO)(OC)(H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH){2|C<4>,6|H<1>}	108.7860	0.000	1	108.7860	0.000	1	108.7860	0.000	1	109.0851	2.040	31	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCH)(OH)(H)	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(CCH)(OH)(H)	O[5](C[5]C[5]CC)(C[5]C[5]CH){1|C<4>,3|H<1>}	108.4530	0.000	1	108.4530	0.000	1	108.9590	2.346	22	109.0851	2.040	31	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CC[6a]O)(OH)(H)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(CC[6a]O)(OH)(H)	O[5](C[5]C[5]CH)2{4|H<1>}	107.6037	0.843	6	107.6037	0.710	6	108.9590	2.346	22	109.0851	2.040	31	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CN[5]O)(OH)(H)	O[5](C[5]C[5]2H)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(CN[5]O)(OH)(H)	O[5](C[5]C[5]2H)(C[5]C[5]CH){1|C<4>,1|O<2>,5|H<1>}	108.9570	0.000	1	108.9570	0.000	1	108.9590	2.346	22	109.0851	2.040	31	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(COO)(OH)(H)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(COO)(OH)(H)	O[5](C[5]C[5]CH)2{4|H<1>}	107.8790	0.499	3	107.8790	0.249	3	108.9590	2.346	22	109.0851	2.040	31	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCH)(OC)(H)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(CCH)(OC)(H)	O[5](C[5]C[5]CH)2{2|H<1>,2|O<2>}	109.8960	0.000	1	109.8960	0.000	1	108.9590	2.346	22	109.0851	2.040	31	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(COO)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(COO)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HO){2|H<1>,2|O<2>}	108.4247	0.078	3	108.4247	0.006	3	108.9590	2.346	22	109.0851	2.040	31	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCH)(OH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCH)(OH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	110.5432	0.888	5	110.5432	0.788	5	108.9590	2.346	22	109.0851	2.040	31	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CN[5]O)(OS)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CN[5]O)(OS)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	112.3440	0.000	1	112.3440	0.000	1	108.9590	2.346	22	109.0851	2.040	31	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCH)(OH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CN)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,1|N<3>}	C(C[5]C[5]O[5]H)(CCH)(OH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CN){2|H<1>}	110.1990	0.000	1	110.1990	0.000	1	108.9590	2.346	22	109.0851	2.040	31	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[6a]HO)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OC)(H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[6a]HO)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OC)(H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH){1|C<3>,2|O<2>,4|H<1>}	109.6115	1.559	2	109.6115	2.431	2	108.9497	1.397	4	109.0851	2.040	31	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[6a]HO)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[6a]HO)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<2>}	108.2880	0.088	2	108.2880	0.008	2	108.9497	1.397	4	109.0851	2.040	31	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-3:C-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCHN)(H)	C(C[5]C[5]O[5]H)(NCO)(CC)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHN)(H){2|C<4>}	C(C[5]C[5]O[5]H)(NCO)(CC)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	110.1110	0.000	1	110.1110	0.000	1	110.1110	0.000	1	109.0851	2.040	31	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:3:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:N-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H)	C(C[5]C[5]O[5]H)(CCH)(NHS)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCH)(NHS)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	109.1807	2.068	3	109.1807	4.278	3	109.1807	4.278	3	107.6826	6.790	5	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:3:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-3:N-3:F-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CFNN)(H)	C(C[5]C[5]O[5]H)(NOO)2(F)	O[5](C[5]C[5]CH)(C[5]O[5]HO)	C[5](C[5]O[5]CH)(O[5]C[5])(CFNN)(H){1|H<1>,1|O<2>}	C(C[5]C[5]O[5]H)(NOO)2(F)	O[5](C[5]C[5]CH)(C[5]O[5]HO){1|C<4>,1|H<1>}	105.4355	1.331	2	105.4355	1.773	2	105.4355	1.773	2	107.6826	6.790	5	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:3:2:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5,5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5,5])(CC[6a]2O)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OH)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CH)	C[5](C[5]O[5]CH)(O[5]C[5,5])(CC[6a]2O)(H){2|C<4>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OH)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CH){3|C<4>,5|H<1>}	109.5860	0.909	13	109.5860	0.826	13	109.5860	0.826	13	108.6703	1.443	47	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:3:2:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5,6])(CC[6a]2O)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OH)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)	C[5](C[5]O[5]CH)(O[5]C[5,6])(CC[6a]2O)(H){2|C<4>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OH)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH){3|C<4>,5|H<1>}	108.3202	1.120	34	108.3202	1.255	34	108.3202	1.255	34	108.6703	1.443	47	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:3:4:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	Si[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]Si[5])(CC[6a]CH)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CH3)(H)	O[5](Si[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]Si[5])(CC[6a]CH)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CH3)(H)	O[5](Si[5]C[5]CC)(C[5]C[5]CH){1|C<3>,1|O<2>,2|H<1>}	110.3080	0.000	1	110.3080	0.000	1	110.3080	0.000	1	110.3080	0.000	1	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	N[5,5]-3:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]N[5,5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CHHN)(H)2	O[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]CH)	C[5](C[5]C[5,5]HH)(O[5]N[5,5])(CCHH)(H){1|C<4>,2|C<3>}	C(C[5]C[5]O[5]H)(CHHN)(H)2	O[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]CH){1|C<4>,2|H<1>,3|C<3>}	110.5820	0.000	1	110.5820	0.000	1	110.5820	0.000	1	109.2343	1.464	3	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	N[5,6]-3:C[5]-4:	C[5](C[5]C[5,6]CH)(O[5]N[5,6])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHH)(H)2	O[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)	C[5](C[5]C[5,6]CH)(O[5]N[5,6])(CCHH)(H){1|H<1>,2|C<4>}	C(C[5]C[5]O[5]H)(CCHH)(H)2	O[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH){1|C<3>,2|C<4>,4|H<1>}	108.8790	0.000	1	108.8790	0.000	1	108.8790	0.000	1	109.2343	1.464	3	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	3:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	N[5]-3:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]N[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	O[5](N[5]C[5,5]C)(C[5]C[5]CH)	C[5](C[5]C[5,5]HH)(O[5]N[5])(CCHH)(H){3|C<4>}	C(C[5]C[5]O[5]H)(CCHO)(H)2	O[5](N[5]C[5,5]C)(C[5]C[5]CH){2|C<4>,2|H<1>}	108.2420	0.000	1	108.2420	0.000	1	108.2420	0.000	1	109.2343	1.464	3	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:	C[5](C[5]C[5]CH)(O[5]N[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	O[5](C[5]C[5]CH)(N[5]C[5]C)	C[5](C[5]C[5]CH)(O[5]N[5])(CCHH)(H){1|H<1>,2|C<4>}	C(C[5]C[5]O[5]H)(CCHO)(H)2	O[5](C[5]C[5]CH)(N[5]C[5]C){1|C<3>,1|C<4>,2|H<1>}	108.1895	1.483	2	108.1895	2.199	2	108.8978	5.209	5	108.7175	4.362	6	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:	C[5](C[5]C[5]HH)(O[5]N[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CC[6]HO)(H)2	O[5](C[5]C[5]CH)(N[5]C[5]C)	C[5](C[5]C[5]HH)(O[5]N[5])(CCHH)(H){1|H<1>,2|C<4>}	C(C[5]C[5]O[5]H)(CC[6]HO)(H)2	O[5](C[5]C[5]CH)(N[5]C[5]C){1|C<4>,3|H<1>}	109.3700	2.913	3	109.3700	8.483	3	108.8978	5.209	5	108.7175	4.362	6	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:	C[5](C[5]C[5]HH)(O[5]N[5])(CC[5]HH)(H)	C(C[5]C[5]O[5]H)2(H)2	O[5](C[5]C[5]CH)(N[5]C[5]C)	C[5](C[5]C[5]HH)(O[5]N[5])(CC[5]HH)(H){1|H<1>,2|C<4>}	C(C[5]C[5]O[5]H)2(H)2	O[5](C[5]C[5]CH)(N[5]C[5]C){1|C<4>,3|H<1>}	107.8160	0.000	1	107.8160	0.000	1	107.8160	0.000	1	108.7175	4.362	6	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[4,5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[4,5,6]C[4,5,6]C[4,6]N[6])(O[5]C[5])(CCHH)(H)	C(C[5]C[4,5,6]O[5]H)(CCCH)(H)2	O[5](C[5]C[4,5,6]CH)(C[5]C[4,5,6]HH)	C[5](C[4,5,6]C[4,5,6]C[4,6]N[6])(O[5]C[5])(CCHH)(H){2|C<3>,2|C<4>,4|H<1>}	C(C[5]C[4,5,6]O[5]H)(CCCH)(H)2	O[5](C[5]C[4,5,6]CH)(C[5]C[4,5,6]HH){1|C<3>,1|N<3>,2|C<4>}	110.1430	0.000	1	110.1430	0.000	1	110.1430	0.000	1	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]N[5])(O[5]C[5,5])(CCHH)(H)	C(C[5]C[5,5]O[5]H)(CCHO)(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5,5]CH)	C[5](C[5,5]C[5,5]C[5]N[5])(O[5]C[5,5])(CCHH)(H){2|C<4>,3|O<2>,4|H<1>}	C(C[5]C[5,5]O[5]H)(CCHO)(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5,5]CH){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	110.3120	0.000	1	110.3120	0.000	1	110.3120	0.000	1	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,5]O[5]H)(CSnHH)(H)2	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHH)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[5]C[5,5]O[5]H)(CSnHH)(H)2	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO){2|H<1>,2|O<2>}	109.6300	0.000	1	109.6300	0.000	1	108.0545	4.964	2	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5]3)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,5]O[5]H)(CCHH)(H)2	O[5](C[5]C[5,5]CH)(C[5]C[5]CC)	C[5](C[5,5]C[5]3)(O[5]C[5])(CCHH)(H){1|O<1>,4|C<4>,4|H<1>}	C(C[5]C[5,5]O[5]H)(CCHH)(H)2	O[5](C[5]C[5,5]CH)(C[5]C[5]CC){1|C<3>,1|C<4>,2|H<1>}	106.4790	0.000	1	106.4790	0.000	1	108.0545	4.964	2	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6,6])(CCHH)(H)	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	O[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]CH)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6,6])(CCHH)(H){2|H<1>,3|C<4>}	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	O[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]CH){1|O<2>,3|H<1>,4|C<4>}	109.6580	0.035	2	109.6580	0.001	2	109.6580	0.001	2	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(CCHH)(H)	C(C[5]C[5,6]O[5]H)(CH3)(H)2	O[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]CH)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(CCHH)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[5,6]O[5]H)(CH3)(H)2	O[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]CH){1|C<3>,1|H<1>,3|C<4>}	110.4920	0.581	2	110.4920	0.338	2	110.4920	0.338	2	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[5]C[6])(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6]O[5]H)(CC[6a]HH)(H)2	O[5](C[5]C[5,6]CH)(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[5]C[6])(O[5]C[5])(CCHH)(H){1|B<3>,1|C<4>,2|C<3>,5|H<1>}	C(C[5]C[5,6]O[5]H)(CC[6a]HH)(H)2	O[5](C[5]C[5,6]CH)(C[5]C[5]HH){1|C<3>,1|C<4>,2|H<1>}	110.6760	0.000	1	110.6760	0.000	1	111.9688	1.642	4	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6]O[5]H)(CCCO)(H)2	O[5](C[5]C[5,6]CH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<3>,2|H<1>,3|C<4>}	C(C[5]C[5,6]O[5]H)(CCCO)(H)2	O[5](C[5]C[5,6]CH)2{1|C<3>,1|C<4>,2|H<1>}	113.7390	0.000	1	113.7390	0.000	1	111.9688	1.642	4	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	O[5](C[5]C[5,6]CH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<3>,3|C<4>,3|H<1>}	C(C[5]C[5,6]O[5]H)(CCHH)(H)2	O[5](C[5]C[5,6]CH)2{1|C<3>,1|C<4>,2|H<1>}	111.7860	0.000	1	111.7860	0.000	1	111.9688	1.642	4	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5,6]O[5]H)(CC[5]CO)(H)2	O[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]CH)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHH)(H){1|C<3>,2|H<1>,3|C<4>}	C(C[5]C[5,6]O[5]H)(CC[5]CO)(H)2	O[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]CH){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	111.6740	0.000	1	111.6740	0.000	1	111.9688	1.642	4	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C[3]-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[3]HH)(H)	C(C[5]C[5,6]O[5]H)(C[3]C[3]O[3]C)(H)2	O[5](C[5]C[5,6]CH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[3]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,6]O[5]H)(C[3]C[3]O[3]C)(H)2	O[5](C[5]C[5,6]CH)2{1|C<3>,1|C<4>,2|H<1>}	110.4340	0.000	1	110.4340	0.000	1	110.4340	0.000	1	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:Br-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(CBrCH)(H)	C(C[5]C[5]O[5]H)(CCHO)(Br)(H)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CBrCH)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[5]O[5]H)(CCHO)(Br)(H)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CH){1|Br<1>,2|C<4>,5|H<1>}	113.9880	0.000	1	113.9880	0.000	1	113.9880	0.000	1	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:Br-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H)	C(C[5]C[5]O[5]H)(CCHH)(Br)(H)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(CCHH)(Br)(H)	O[5](C[5]C[5]CH)2{4|H<1>}	107.2647	0.989	3	107.4022	0.575	8	107.7814	1.797	9	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:Br-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H)	C(C[5]C[5]O[5]H)(CCHH)(Br)(H)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H){1|Cl<1>,1|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(CCHH)(Br)(H)	O[5](C[5]C[5]CH)2{1|Cl<1>,3|H<1>}	107.4848	0.703	5	107.4022	0.575	8	107.7814	1.797	9	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:Br-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H)	C(C[5]C[5]O[5]H)(CHHO)(Br)(H)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CBrCH)(H){1|Br<1>,1|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(CHHO)(Br)(H)	O[5](C[5]C[5]CH)2{1|Br<1>,3|H<1>}	110.8150	0.000	1	110.8150	0.000	1	107.7814	1.797	9	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:Cl-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CClCH)(H)	C(C[5]C[5]O[5]H)(CCHH)(Cl)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CClCH)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCHH)(Cl)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	108.1160	0.000	1	108.1160	0.000	1	108.1160	0.000	1	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:F-1:F-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCFF)(H)	C(C[5]C[5]O[5]H)(CBrFF)(F)2	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)	C[5](C[5]O[5]HH)(O[5]C[5])(CCFF)(H){1|C<3>,1|H<1>}	C(C[5]C[5]O[5]H)(CBrFF)(F)2	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>}	109.8940	1.134	2	109.8940	1.286	2	109.8940	1.286	2	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CH3)(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHH)(H){1|C<4>,1|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(CH3)(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|H<1>,2|C<4>,2|O<2>}	109.5240	0.000	1	109.5240	0.000	1	110.9060	7.646	5	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]ClH)(O[5]C[5,5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CH)	C[5](C[5]C[5]ClH)(O[5]C[5,5])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(CCHO)(H)2	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CH){1|Br<1>,1|Cl<1>,2|C<4>,4|H<1>}	115.8290	0.000	1	115.8290	0.000	1	110.9060	7.646	5	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHH)(H)2	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCHH)(H){1|C<3>,1|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(CCHH)(H)2	O[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CH){1|O<2>,3|C<3>,3|H<1>}	110.0680	0.000	1	110.0680	0.000	1	110.9060	7.646	5	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5,5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHH)(H)2	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5,5])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(CCHH)(H)2	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CH){1|O<2>,2|C<4>,5|H<1>}	109.5545	0.289	2	109.5545	0.084	2	110.9060	7.646	5	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHH)(H)2	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]CH)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(CCHH)(H)2	O[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]CH){1|C<3>,2|C<4>,2|H<1>}	108.2720	0.000	1	108.2720	0.000	1	108.8465	0.193	4	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHH)(H)2	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]CH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHH)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(CCHH)(H)2	O[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	109.3150	0.000	1	109.3150	0.000	1	108.8465	0.193	4	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(CCHH)(H)	C(C[5]C[5]O[5]H)(CHHO)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5](C[5]C[5,6]HO)(O[5]C[5,6])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(CHHO)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){1|C<4>,3|H<1>,3|O<2>}	109.0120	0.000	1	109.0120	0.000	1	108.8465	0.193	4	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5,6])(CCHH)(H)	C(C[5]C[5]O[5]H)(CHHO)(H)2	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5,6])(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(CHHO)(H)2	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]CH){1|O<2>,3|C<4>,4|H<1>}	108.7870	0.000	1	108.7870	0.000	1	108.8465	0.193	4	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]2H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHH)(H)2	O[5](C[5]C[5]2H)(C[5]C[5]CH)	C[5](C[5]C[5]2H)(O[5]C[5])(CCHH)(H){1|N<3>,3|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(CCHH)(H)2	O[5](C[5]C[5]2H)(C[5]C[5]CH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	107.9040	0.000	1	107.9040	0.000	1	109.7853	7.237	45	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]BrH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]BrH)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(CCHO)(H)2	O[5](C[5]C[5]CH)2{1|Br<1>,3|H<1>}	111.6210	0.000	1	111.6210	0.000	1	109.7853	7.237	45	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHH)(H)2	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(CCHH)(H)2	O[5](C[5]C[5]CH)2{1|C<4>,3|H<1>}	106.9020	0.000	1	109.4915	13.411	2	109.7853	7.237	45	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHH)(H)2	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(H){2|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(CCHH)(H)2	O[5](C[5]C[5]CH)2{2|C<4>,2|H<1>}	112.0810	0.000	1	109.4915	13.411	2	109.7853	7.237	45	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CO)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHH)(H)2	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]CO)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(CCHH)(H)2	O[5](C[5]C[5]CH)2{1|C<4>,1|O<2>,2|H<1>}	111.2970	0.137	2	111.2970	0.019	2	109.7853	7.237	45	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]C[6]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHH)(H)2	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]C[6]H)(O[5]C[5])(CCHH)(H){1|O<2>,3|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(CCHH)(H)2	O[5](C[5]C[5]CH)2{2|C<4>,2|H<1>}	109.6050	0.000	1	109.6050	0.000	1	109.7853	7.237	45	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]ClH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]ClH)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(CCHO)(H)2	O[5](C[5]C[5]CH)2{1|Cl<1>,3|H<1>}	109.2443	1.659	3	109.2443	2.751	3	109.7853	7.237	45	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]ClH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CHHO)(H)2	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]ClH)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(CHHO)(H)2	O[5](C[5]C[5]CH)2{1|Cl<1>,3|H<1>}	108.5275	0.218	2	108.5275	0.048	2	109.7853	7.237	45	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCCO)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]CO)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]O[5]H)(CCCO)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]CO){1|C<4>,3|H<1>}	112.5667	0.701	8	112.5667	0.492	8	109.7853	7.237	45	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHH)(H)2	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(CCHH)(H)2	O[5](C[5]C[5]CH)2{1|C<4>,3|H<1>}	110.0910	0.000	1	106.3580	10.380	4	109.7853	7.237	45	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHH)(H)2	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(CCHH)(H)2	O[5](C[5]C[5]CH)2{4|H<1>}	103.6670	0.048	2	106.3580	10.380	4	109.7853	7.237	45	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHH)(H)2	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){2|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(CCHH)(H)2	O[5](C[5]C[5]CH)2{1|C<4>,3|H<1>}	108.0070	0.000	1	106.3580	10.380	4	109.7853	7.237	45	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(CCHO)(H)2	O[5](C[5]C[5]CH)2{4|H<1>}	108.9437	0.184	4	108.9437	0.034	4	109.7853	7.237	45	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HN)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CH3)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HN)(O[5]C[5])(CCHH)(H){4|H<1>}	C(C[5]C[5]O[5]H)(CH3)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HH){1|N<3>,3|H<1>}	109.4580	0.000	1	109.4580	0.000	1	109.7853	7.237	45	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HN)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CHHO)(H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HN)(O[5]C[5])(CCHH)(H){1|C<3>,3|H<1>}	C(C[5]C[5]O[5]H)(CHHO)(H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CH){1|N<3>,2|C<3>,3|H<1>}	107.7615	1.177	2	107.7615	1.386	2	109.7853	7.237	45	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHN)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H){1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(CCHN)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){2|C<3>,2|H<1>,2|O<2>}	110.4670	0.000	1	110.4670	0.000	1	109.7853	7.237	45	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(H){2|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(CCHO)(H)2	O[5](C[5]C[5]CH)2{1|C<4>,1|O<2>,2|H<1>}	108.8400	0.000	1	108.8400	0.000	1	109.7853	7.237	45	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HS)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCCH)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]HS)(O[5]C[5])(CCHH)(H){1|O<1>,2|C<4>}	C(C[5]C[5]O[5]H)(CCCH)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]CH){1|H<1>,1|O<1>,1|S<4>}	108.0050	0.000	1	108.0050	0.000	1	109.7853	7.237	45	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CH3)(H)2	O[5](C[5]C[5]CH)(C[5]N[5]CC)	C[5](C[5]N[5]HH)(O[5]C[5])(CCHH)(H){1|C<3>,2|C<4>}	C(C[5]C[5]O[5]H)(CH3)(H)2	O[5](C[5]C[5]CH)(C[5]N[5]CC){1|C<3>,2|H<1>}	119.4960	0.000	1	119.4960	0.000	1	109.7853	7.237	45	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5a]C[5]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CHHO)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]N[5a]C[5]H)(O[5]C[5])(CCHH)(H){2|C<3>,4|H<1>}	C(C[5]C[5]O[5]H)(CHHO)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HH){1|N<3>,3|H<1>}	109.7345	0.770	2	109.7345	0.593	2	109.7853	7.237	45	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]N[6a]O[5]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CHHO)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]N[6a]O[5]H)(O[5]C[5])(CCHH)(H){2|C<3>,2|C<4>}	C(C[5]C[5]O[5]H)(CHHO)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|H<1>,1|N<3>}	112.8710	0.000	1	112.8710	0.000	1	109.7853	7.237	45	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CC)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CH3)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CC)(O[5]C[5])(CCHH)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CH3)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<3>,1|C<4>}	108.5920	0.000	1	108.5920	0.000	1	109.7853	7.237	45	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHH)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCHH)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	107.4620	0.669	2	107.4620	0.447	2	109.7853	7.237	45	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CC[6a]HH)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]HH)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H){2|H<1>}	C(C[5]C[5]O[5]H)(CC[6a]HH)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]HH){1|C<4>,1|H<1>}	110.0390	0.000	1	110.0390	0.000	1	109.7853	7.237	45	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CHHS)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CHHS)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	108.1810	0.000	1	108.1810	0.000	1	109.7853	7.237	45	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CN[5]HH)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHH)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CN[5]HH)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	108.0470	0.000	1	108.0470	0.000	1	109.7853	7.237	45	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CO)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHH)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CO)(O[5]C[5])(CCHH)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCHH)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|O<2>}	109.1910	0.000	1	109.1910	0.000	1	109.7853	7.237	45	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:O-1:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(CCHO)(H)	C(C[5]C[5]O[5]H)(CBrCF)(H)(O)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)	C[5](C[5]O[5]HH)(O[5]C[5,6])(CCHO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CBrCF)(H)(O)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH){2|C<4>,6|H<1>}	107.7650	0.000	1	107.7650	0.000	1	107.7650	0.000	1	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:O-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCHH)(H)(O)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(CCHH)(H)(O)	O[5](C[5]C[5]CH)2{1|O<2>,3|H<1>}	110.4010	0.000	1	110.4010	0.000	1	110.4010	0.000	1	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CC[5]FF)(H)	C(C[5]C[5]O[5]H)2(F)2	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CC[5]FF)(H){2|C<3>,2|C<4>}	C(C[5]C[5]O[5]H)2(F)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<3>,1|H<1>}	108.9460	0.000	1	108.9460	0.000	1	108.3965	0.604	2	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]FF)(H)	C(C[5]C[5]O[5]H)2(F)2	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]FF)(H){2|C<4>}	C(C[5]C[5]O[5]H)2(F)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	107.8470	0.000	1	107.8470	0.000	1	108.3965	0.604	2	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(C[5]C[5]2Ti)(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CC[5]HH)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(C[5]C[5]2Ti)(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<2>}	110.2790	0.000	1	110.2790	0.000	1	110.2790	0.000	1	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HH)(H)	C(C[5]C[5]O[5]H)2(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HH)(H){2|C<4>}	C(C[5]C[5]O[5]H)2(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	109.8680	0.000	1	109.8680	0.000	1	110.3965	0.559	2	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HH)(H)	C(C[5]C[5]O[5]H)(C[5]C[5]2C)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HH)(H){2|C<4>}	C(C[5]C[5]O[5]H)(C[5]C[5]2C)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	110.9250	0.000	1	110.9250	0.000	1	110.3965	0.559	2	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[6]-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]SeH)(O[5]C[5])(CC[6]HH)(H)	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]C)(H)2	O[5](C[5]C[5]C[6]H)(C[5]C[5]CH)	C[5](C[5]C[5]SeH)(O[5]C[5])(CC[6]HH)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]C)(H)2	O[5](C[5]C[5]C[6]H)(C[5]C[5]CH){1|Se<2>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	110.4100	0.000	1	110.4100	0.000	1	109.4634	1.835	7	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[6]-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CC[6]HH)(H)	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]C)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[6]HH)(H){2|C<4>}	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]C)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	108.8897	1.711	3	108.8897	2.927	3	109.4634	1.835	7	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[6]-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CC[6]HH)(H)	C(C[5]C[5]O[5]H)(C[6]C[6]2S)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[6]HH)(H){2|C<4>}	C(C[5]C[5]O[5]H)(C[6]C[6]2S)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	110.4370	0.000	2	110.4370	0.000	2	109.4634	1.835	7	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[6]-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CC[6]HH)(H)	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]H)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[6]HH)(H){2|C<4>}	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]H)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	108.2910	0.000	1	108.2910	0.000	1	109.4634	1.835	7	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-4:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHN)(H)	C(C[5]C[5]O[5]H)(NCuCC)(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHN)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(NCuCC)(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	106.3900	0.000	1	106.3900	0.000	1	106.3900	0.000	1	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H)	C(C[5]C[5]O[5]H)(NC3)(H)2	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(NC3)(H)2	O[5](C[5]C[5]CH)2{1|O<2>,3|H<1>}	111.2070	0.000	1	111.2070	0.000	1	108.5165	16.387	6	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H)	C(C[5]C[5]O[5]H)(NC3)(H)2	O[5](C[5]C[6a]2C[5])(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H){1|H<1>,1|O<2>,2|C<3>}	C(C[5]C[5]O[5]H)(NC3)(H)2	O[5](C[5]C[6a]2C[5])(C[5]C[5]CH){1|O<2>,3|H<1>,4|C<3>}	109.5930	0.000	1	109.5930	0.000	1	108.5165	16.387	6	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H)	C(C[5]C[5]O[5]H)(NFeCC)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(CHHN)(H){4|H<1>}	C(C[5]C[5]O[5]H)(NFeCC)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]HH){4|H<1>}	104.8340	6.319	2	104.8340	39.926	2	108.5165	16.387	6	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CHHN)(H)	C(C[5]C[5]O[5]H)(NPtHH)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CH)	C[5](C[5]O[5]CH)(O[5]C[5])(CHHN)(H){1|C<4>,1|H<1>}	C(C[5]C[5]O[5]H)(NPtHH)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CH){1|C<4>,1|H<1>}	110.3155	0.125	2	110.3155	0.016	2	108.5165	16.387	6	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:P-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CHHP)(H)	C(C[5]C[5]O[5]H)(PC[6a]2Cu)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CHHP)(H){2|C<4>}	C(C[5]C[5]O[5]H)(PC[6a]2Cu)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	107.3556	3.634	8	107.3556	13.208	8	107.3556	13.208	8	109.4125	6.654	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:3:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:	C[5](C[5]C[5]HH)(O[5]N[5])(CC[5]HO)(H)	C(C[5]C[5]O[5]H)2(OH)(H)	O[5](C[5]C[5]CH)(N[5]C[5]C)	C[5](C[5]C[5]HH)(O[5]N[5])(CC[5]HO)(H){1|H<1>,2|C<4>}	C(C[5]C[5]O[5]H)2(OH)(H)	O[5](C[5]C[5]CH)(N[5]C[5]C){1|C<4>,3|H<1>}	108.0310	0.000	1	108.0310	0.000	1	108.0310	0.000	1	108.0310	0.000	1	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[3,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CCHO)(H)	C(C[5]C[3,5]O[5]H)(CHHO)(OH)(H)	O[5](C[5]C[3,5]N[5a]H)(C[5]C[3,5]CH)	C[5](C[3,5]C[3,5]O[3]H)(O[5]C[5])(CCHO)(H){1|N<3>,2|H<1>}	C(C[5]C[3,5]O[5]H)(CHHO)(OH)(H)	O[5](C[5]C[3,5]N[5a]H)(C[5]C[3,5]CH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	111.5323	0.299	3	111.5323	0.089	3	111.5323	0.089	3	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHO)(H)	C(C[5]C[5,5]O[5]H)(CH3)(OH)(H)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHO)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[5]C[5,5]O[5]H)(CH3)(OH)(H)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO){2|H<1>,2|O<2>}	109.5820	0.000	1	109.5820	0.000	1	109.5820	0.000	1	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[6]-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CC[6]HO)(H)	C(C[5]C[5,5]O[5]H)(C[6]C[6a]S[6]2)(OC)(H)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CC[6]HO)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[5]C[5,5]O[5]H)(C[6]C[6a]S[6]2)(OC)(H)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO){2|H<1>,2|O<2>}	110.2170	0.000	1	110.2170	0.000	1	110.2170	0.000	1	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHO)(H)	C(C[5]C[5,6]O[5]H)(CCHH)(OSi)(H)	O[5](C[5]C[5,6]CH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCHO)(H){2|C<3>,2|C<4>,3|H<1>}	C(C[5]C[5,6]O[5]H)(CCHH)(OSi)(H)	O[5](C[5]C[5,6]CH)2{1|C<3>,1|C<4>,2|H<1>}	115.0720	0.000	1	115.0720	0.000	1	115.0720	0.000	1	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:N-2:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHN)(H)	C(C[5]C[5]O[5]H)(CCHH)(NN)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHN)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(CCHH)(NN)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<2>}	109.9280	0.000	1	109.9280	0.000	1	108.2173	1.119	6	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:N-2:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHN)(H)	C(C[5]C[5]O[5]H)(CHHO)(NN)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHN)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(CHHO)(NN)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<2>}	107.8752	0.721	5	107.8752	0.520	5	108.2173	1.119	6	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:N-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CCHN)(H)	C(C[5]C[5]O[5]H)(CCHN)(NS)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CCHN)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[5]C[5]O[5]H)(CCHN)(NS)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	112.8570	0.000	1	112.8570	0.000	1	112.5670	0.168	2	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:N-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CCHN)(H)	C(C[5]C[5]O[5]H)(CHHN)(NS)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CCHN)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[5]C[5]O[5]H)(CHHN)(NS)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	112.2770	0.000	1	112.2770	0.000	1	112.5670	0.168	2	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	B[5,6]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]B[5,6])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	O[5](B[5,6]N[5a,6]2O[5])(C[5]C[5]CH)	C[5](C[5]C[5]O[5]H)(O[5]B[5,6])(CCHO)(H){1|C<4>,1|H<1>,1|O<2>,2|N<3>}	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	O[5](B[5,6]N[5a,6]2O[5])(C[5]C[5]CH){1|C<4>,1|H<1>,4|C<3>}	112.2000	0.000	1	112.2000	0.000	1	112.2000	0.000	1	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|O<2>,2|C<4>,2|H<1>}	106.8490	0.000	1	106.8490	0.000	1	108.2131	2.310	21	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCHN)(OH)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(CCHN)(OH)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<2>}	109.0105	0.296	2	109.0105	0.088	2	108.2131	2.310	21	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CH3)(OH)(H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(CH3)(OH)(H)	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH){1|C<3>,2|O<2>,4|H<1>}	108.1322	1.073	4	108.1322	1.152	4	108.2131	2.310	21	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){1|C<4>,1|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CH){1|C<3>,2|O<2>,4|H<1>}	109.4600	0.069	2	109.4600	0.005	2	108.2131	2.310	21	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|N<3>}	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	O[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	107.3103	1.638	3	107.3103	2.685	3	108.2131	2.310	21	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	106.9210	0.000	1	106.9210	0.000	1	108.2131	2.310	21	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<2>}	108.1800	0.000	1	108.1800	0.000	1	108.2131	2.310	21	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OS)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(CHHO)(OS)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<2>}	105.2160	0.000	1	105.2160	0.000	1	108.2131	2.310	21	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHS)(OH)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(CHHS)(OH)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<2>}	110.4950	0.000	1	110.4950	0.000	1	108.2131	2.310	21	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CN[5a]HH)(OH)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(CN[5a]HH)(OH)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<2>}	107.6440	1.081	3	107.6440	1.169	3	108.2131	2.310	21	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HS)(O[5]C[5,5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HS)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	110.2405	1.083	2	110.2405	1.172	2	108.2131	2.310	21	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHO)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){1|C<4>,1|O<2>,5|H<1>}	108.8990	0.000	1	108.8990	0.000	1	109.0597	0.471	4	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]SiH)(O[5]C[5,6])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5](C[5]C[5,6]SiH)(O[5]C[5,6])(CCHO)(H){1|H<1>,3|C<4>}	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){1|Si<4>,3|C<4>,3|H<1>}	109.1100	0.000	1	109.1100	0.000	1	109.0597	0.471	4	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5,6])(CCHO)(H)	C(C[5]C[5]O[5]H)(CC[5]HO)(OH)(H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)	C[5](C[5]O[5]HH)(O[5]C[5,6])(CCHO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CC[5]HO)(OH)(H)	O[5](C[5,6]C[6]2O[5])(C[5]C[5]CH){2|C<4>,6|H<1>}	109.1150	1.174	2	109.1150	1.378	2	109.0597	0.471	4	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5,6]O[5]H)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]C[5,6]O[5]H)(O[5]C[5])(CCHO)(H){1|H<1>,1|N<3>,3|C<4>}	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	109.0270	0.000	1	109.0270	0.000	1	109.4917	2.684	51	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CC3)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){4|H<1>}	C(C[5]C[5]O[5]H)(CC3)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HH){4|H<1>}	108.6880	0.000	1	108.6880	0.000	1	109.4917	2.684	51	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	O[5](C[5]C[5]CH)2{4|H<1>}	108.9940	2.335	2	108.9940	5.452	2	109.4917	2.684	51	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	O[5](C[5]C[5]2H)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	O[5](C[5]C[5]2H)(C[5]C[5]CH){1|C<4>,1|O<2>,5|H<1>}	109.0145	0.008	2	109.0145	0.000	2	109.4917	2.684	51	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	O[5](C[5]C[5]CH)2{1|O<2>,3|H<1>}	109.0145	1.194	2	109.0145	1.426	2	109.4917	2.684	51	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCHH)(OSi)(H)	O[5](C[5]C[3]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(CCHH)(OSi)(H)	O[5](C[5]C[3]C[5]H)(C[5]C[5]CH){1|C<4>,1|O<2>,5|H<1>}	110.0650	0.000	1	110.0650	0.000	1	109.4917	2.684	51	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	O[5](C[5]C[5]CH)2{4|H<1>}	113.1730	0.000	1	113.1730	0.000	1	109.4917	2.684	51	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CC[6a]HH)(OH)(H)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H){1|N<3>,3|H<1>}	C(C[5]C[5]O[5]H)(CC[6a]HH)(OH)(H)	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CH){1|O<2>,2|C<3>,3|H<1>}	108.2605	0.917	2	108.2605	0.841	2	109.4917	2.684	51	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HO)(O[5]C[5])(CCHO)(H){1|C<4>,1|N<3>,2|H<1>}	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	O[5](C[5]C[5]CH)2{1|N<3>,1|O<2>,2|H<1>}	108.1060	0.000	1	108.1060	0.000	1	109.4917	2.684	51	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CC3)(OH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CCHO)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[5]C[5]O[5]H)(CC3)(OH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	111.4850	0.000	1	111.4850	0.000	1	109.4917	2.684	51	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	O[5](C[5]C[6a]N[5]C)(C[5]C[5]CH)	C[5](C[5]N[5]HH)(O[5]C[5])(CCHO)(H){1|C<4>,2|C<3>}	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	O[5](C[5]C[6a]N[5]C)(C[5]C[5]CH){2|H<1>,3|C<3>}	108.8490	0.000	1	108.8490	0.000	1	109.4917	2.684	51	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	O[5](C[5]C[5]CH)(C[5]N[5]CC)	C[5](C[5]N[5]HH)(O[5]C[5])(CCHO)(H){3|C<4>}	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	O[5](C[5]C[5]CH)(C[5]N[5]CC){1|C<4>,2|H<1>}	110.3333	0.301	3	110.3333	0.091	3	109.4917	2.684	51	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5a]O[5]H)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]N[5a]O[5]H)(O[5]C[5])(CCHO)(H){1|C<3>,1|N<2>,2|C<4>}	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|H<1>,1|N<3>}	108.3280	0.692	2	108.3280	0.478	2	109.4917	2.684	51	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]N[6a]O[5]H)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]N[6a]O[5]H)(O[5]C[5])(CCHO)(H){2|C<3>,2|C<4>}	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|H<1>,1|N<3>}	108.8110	0.188	2	108.8110	0.035	2	109.4917	2.684	51	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]N[6a]O[5]H)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]N[6a]O[5]H)(O[5]C[5])(CCHO)(H){2|C<3>,2|C<4>}	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|H<1>,1|N<3>}	110.3790	0.000	1	110.3790	0.000	1	109.4917	2.684	51	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CC3)(OH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CC3)(OH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	106.8490	0.000	1	106.8490	0.000	1	109.4917	2.684	51	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<3>,1|H<1>}	109.2830	0.000	1	108.3463	1.967	3	109.4917	2.684	51	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCHH)(OC)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	107.8780	1.618	2	108.3463	1.967	3	109.4917	2.684	51	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	108.0210	0.315	2	108.0210	0.099	2	109.4917	2.684	51	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCHN)(OH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCHN)(OH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<3>,1|H<1>}	110.0845	0.542	2	110.0845	0.294	2	109.4917	2.684	51	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	109.7670	0.000	1	109.7670	0.000	1	109.4917	2.684	51	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	O[5](C[5]C[5]CH)(C[5]O[5]HH)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|H<1>}	C(C[5]C[5]O[5]H)(CCHO)(OC)(H)	O[5](C[5]C[5]CH)(C[5]O[5]HH){1|C<4>,1|H<1>}	111.7260	0.000	1	111.7260	0.000	1	109.4917	2.684	51	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	112.1200	0.000	1	112.1200	0.000	1	109.4917	2.684	51	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<2>,1|H<1>}	106.8080	0.000	1	106.8080	0.000	1	109.4917	2.684	51	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	112.6017	0.458	4	112.6017	0.210	4	109.4917	2.684	51	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CC3)(OH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CC3)(OH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	109.7700	0.710	2	109.7700	0.504	2	109.4917	2.684	51	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCCH)(OC)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCCH)(OC)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	109.5620	0.000	1	109.5620	0.000	1	109.4917	2.684	51	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCCH)(OH)(H)	O[5](C[5]C[6a]2O[5])(C[5]C[5]CH)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H){2|C<3>}	C(C[5]C[5]O[5]H)(CCCH)(OH)(H)	O[5](C[5]C[6a]2O[5])(C[5]C[5]CH){2|H<1>,4|C<3>}	108.0250	0.000	1	108.0250	0.000	1	109.4917	2.684	51	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCHH)(OH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	111.4720	0.000	1	111.4720	0.000	1	109.4917	2.684	51	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCHO)(OSi)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCHO)(OSi)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	107.9580	0.000	1	107.9580	0.000	1	109.4917	2.684	51	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CC[5]HN)(OC)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CC[5]HN)(OC)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	108.1100	0.341	2	108.1100	0.116	2	109.4917	2.684	51	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CC[5]HO)(OH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CC[5]HO)(OH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	109.1890	0.732	4	109.1890	0.536	4	109.4917	2.684	51	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H)	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(OC)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(OC)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	108.5410	0.000	1	108.5410	0.000	1	109.3426	2.155	15	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H)	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(OH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(OH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	108.3210	0.000	1	108.3210	0.000	1	109.3426	2.155	15	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H)	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(OH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(OH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	110.1220	0.000	1	110.1220	0.000	1	109.3426	2.155	15	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H)	C(C[5]C[5]O[5]H)(C[5]N[5]S[5]H)(OC)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(C[5]N[5]S[5]H)(OC)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	113.5710	0.000	1	113.5710	0.000	1	109.3426	2.155	15	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H)	C(C[5]C[5]O[5]H)2(OH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	C(C[5]C[5]O[5]H)2(OH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<3>,1|H<1>}	109.2040	0.000	1	109.5930	0.119	3	109.3426	2.155	15	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H)	C(C[5]C[5]O[5]H)2(OH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	C(C[5]C[5]O[5]H)2(OH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	109.7875	0.107	2	109.5930	0.119	3	109.3426	2.155	15	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H)	C(C[5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	C(C[5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(OH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	108.9813	0.813	3	108.9813	0.662	3	109.3426	2.155	15	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H)	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(OH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(OH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	108.2565	0.409	2	108.2565	0.168	2	109.3426	2.155	15	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H)	C(C[5]C[5]O[5]H)(C[5]C[5]2H)(OH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(C[5]C[5]2H)(OH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	107.3230	0.000	1	107.3230	0.000	1	109.3426	2.155	15	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H)	C(C[5]C[5]O[5]H)2(OH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(H){2|C<4>}	C(C[5]C[5]O[5]H)2(OH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	110.0125	0.593	2	110.0125	0.352	2	109.3426	2.155	15	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[6]-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CC[6]HO)(H)	C(C[5]C[5]O[5]H)(C[6]C[6]N[6]H)(OSi)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[6]HO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(C[6]C[6]N[6]H)(OSi)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	108.1630	0.864	2	108.1630	0.747	2	108.7870	1.541	3	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[6]-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CC[6]HO)(H)	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]H)(OH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[6]HO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]H)(OH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	110.0350	0.000	1	110.0350	0.000	1	108.7870	1.541	3	109.3156	3.099	109	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:2:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-2:C-2:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC3)(H)	C(C[5]C[5,6]O[5]H)(CC[6a]HH)(CN)2	O[5](C[5]C[5,6]CC)(C[5]C[5,6]CH)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC3)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6]O[5]H)(CC[6a]HH)(CN)2	O[5](C[5]C[5,6]CC)(C[5]C[5,6]CH){1|C<3>,1|O<2>,2|H<1>}	106.6050	0.000	1	106.6050	0.000	1	106.6050	0.000	1	109.3270	8.768	3	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:2:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-2:O-2:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H)	C(C[5]C[5]O[5]H)(CH3)(CC)(OH)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(CH3)(CC)(OH)	O[5](C[5]C[5]CH)2{4|H<1>}	108.8960	0.000	1	108.8960	0.000	1	108.8960	0.000	1	109.3270	8.768	3	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:2:2:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:O-2:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCOO)(H)	C(C[5]C[5]O[5]H)(CF3)(OH)2	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCOO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CF3)(OH)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<3>,1|H<1>}	112.4800	0.000	1	112.4800	0.000	1	112.4800	0.000	1	109.3270	8.768	3	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:3:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCCH)(H)	C(C[5]C[5]O[5]H)(CH3)(COO)(H)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCCH)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(CH3)(COO)(H)	O[5](C[5]C[5]CH)2{4|H<1>}	107.8240	0.281	5	107.8240	0.079	5	108.1423	0.671	6	109.4003	2.951	28	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:3:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCCH)(H)	C(C[5]C[5]O[5]H)(CHHO)(CCH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCCH)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CHHO)(CCH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	109.7340	0.000	1	109.7340	0.000	1	108.1423	0.671	6	109.4003	2.951	28	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:3:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:N-3:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHN)(H)	C(C[5]C[5]O[5]H)(CCHH)(NCH)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHN)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(CCHH)(NCH)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<2>}	106.0150	0.000	1	106.0150	0.000	1	106.0150	0.000	1	109.4003	2.951	28	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:3:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:N-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CCHN)(H)	C(C[5]C[5]O[5]H)(CCHN)(NHS)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CCHN)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[5]C[5]O[5]H)(CCHN)(NHS)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	112.0650	0.000	1	112.0650	0.000	1	110.2338	2.465	17	109.4003	2.951	28	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:3:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:N-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H)	C(C[5]C[5]O[5]H)(CCHH)(NCC)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCHH)(NCC)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<3>,1|H<1>}	111.1080	0.000	1	110.7813	0.136	3	110.2338	2.465	17	109.4003	2.951	28	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:3:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:N-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H)	C(C[5]C[5]O[5]H)(CCHH)(NCC)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCHH)(NCC)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	110.6180	0.335	2	110.7813	0.136	3	110.2338	2.465	17	109.4003	2.951	28	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:3:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:N-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H)	C(C[5]C[5]O[5]H)(CCHH)(NCH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCHH)(NCH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	108.5005	0.842	2	108.5005	0.709	2	110.2338	2.465	17	109.4003	2.951	28	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:3:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:N-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H)	C(C[5]C[5]O[5]H)(CCHO)(NCC)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCHO)(NCC)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<3>,1|H<1>}	109.2060	0.000	1	110.3710	2.714	2	110.2338	2.465	17	109.4003	2.951	28	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:3:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:N-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H)	C(C[5]C[5]O[5]H)(CCHO)(NCC)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCHO)(NCC)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	111.5360	0.000	1	110.3710	2.714	2	110.2338	2.465	17	109.4003	2.951	28	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:3:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:N-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H)	C(C[5]C[5]O[5]H)(CCHO)(NCH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCHO)(NCH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	111.6897	0.397	3	111.6897	0.157	3	110.2338	2.465	17	109.4003	2.951	28	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:3:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:N-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H)	C(C[5]C[5]O[5]H)(CHHO)(NCH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CHHO)(NCH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	112.5190	0.000	1	112.5190	0.000	1	110.2338	2.465	17	109.4003	2.951	28	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:3:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:N-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H)	C(C[5]C[5]O[5]H)(CHHS)(NHS)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CHHS)(NHS)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	109.4125	0.771	2	109.4125	0.595	2	110.2338	2.465	17	109.4003	2.951	28	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:3:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:N-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCHN)(H)	C(C[5]C[5]O[5]H)(CCCH)(NCH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHN)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCCH)(NCH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	108.7790	0.000	1	108.7790	0.000	1	110.2338	2.465	17	109.4003	2.951	28	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:3:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:N-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCHN)(H)	C(C[5]C[5]O[5]H)(CCFF)(NHS)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CCHN)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCFF)(NHS)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	108.3155	1.462	2	108.3155	2.136	2	110.2338	2.465	17	109.4003	2.951	28	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:3:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-3:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OCoC)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(CHHO)(OCoC)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,1|O<2>,1|O<3>,2|H<1>}	107.9830	0.006	2	107.9830	0.000	2	107.9830	0.000	2	109.4003	2.951	28	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:3:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[6]-4:N-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CC[6]HN)(H)	C(C[5]C[5]O[5]H)(C[6]S[6]2C)(NCH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]HH)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[6]HN)(H){2|H<1>}	C(C[5]C[5]O[5]H)(C[6]S[6]2C)(NCH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]HH){1|C<4>,1|H<1>}	109.2460	0.000	1	109.2460	0.000	1	109.2460	0.000	1	109.4003	2.951	28	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:3:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:S-4:N-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CHNS)(H)	C(C[5]C[5]O[5]H)(SC[6a]OO)(NCH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CHNS)(H){2|C<4>}	C(C[5]C[5]O[5]H)(SC[6a]OO)(NCH)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	109.1520	0.000	1	109.1520	0.000	1	109.1520	0.000	1	109.4003	2.951	28	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:3:2:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-3:O-2:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H)	C(C[5]C[5]O[5]H)(CH3)(COO)(OH)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(CH3)(COO)(OH)	O[5](C[5]C[5]CH)2{4|H<1>}	107.4260	0.000	1	107.4260	0.000	1	109.1854	3.253	5	109.1854	3.253	5	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:3:2:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-3:O-2:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]C)(O[5]C[5])(CCCO)(H)	C(C[5]C[5]O[5]H)(CCHH)(CCH)(OH)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]C)(O[5]C[5])(CCCO)(H){1|C<3>,3|C<4>}	C(C[5]C[5]O[5]H)(CCHH)(CCH)(OH)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<3>,1|C<4>}	108.0530	0.000	1	108.0530	0.000	1	109.1854	3.253	5	109.1854	3.253	5	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:3:2:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-3:O-2:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CCCO)(H)	C(C[5]C[5]O[5]H)(CHHN)(COO)(OH)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(O[5]C[5])(CCCO)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[5]C[5]O[5]H)(CHHN)(COO)(OH)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	111.1335	0.190	2	111.1335	0.036	2	109.1854	3.253	5	109.1854	3.253	5	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:3:2:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-3:O-2:	C[5]-4:C[5]-4:	C[5](C[5]C[6]O[5]H)(O[5]C[5])(CCCO)(H)	C(C[5]C[5]O[5]H)(CH3)(CCH)(OC)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]C[6]O[5]H)(O[5]C[5])(CCCO)(H){1|H<1>,4|C<4>}	C(C[5]C[5]O[5]H)(CH3)(CCH)(OC)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	108.1810	0.000	1	108.1810	0.000	1	109.1854	3.253	5	109.1854	3.253	5	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:1:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:S-4:C-4:H-1:	C[5]-4:C[5,5]-4:	C[5](C[5,5]C[5]O[5]2)(O[5]C[5,5])(CCHS)(H)	C(C[5]C[5,5]O[5]H)(SC[6a]OO)(CCHH)(H)	O[5](C[5]C[5,5]CH)(C[5,5]C[5]3)	C[5](C[5,5]C[5]O[5]2)(O[5]C[5,5])(CCHS)(H){2|H<1>,4|C<4>}	C(C[5]C[5,5]O[5]H)(SC[6a]OO)(CCHH)(H)	O[5](C[5]C[5,5]CH)(C[5,5]C[5]3){2|O<2>,3|C<4>,5|H<1>}	112.7020	0.000	1	112.7020	0.000	1	112.7020	0.000	1	109.5295	5.517	22	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:Cl-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CClCC)(H)	C(C[5]C[5]O[5]H)(CH3)2(Cl)	O[5](C[5]C[5]C[6]C)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CClCC)(H){2|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(CH3)2(Cl)	O[5](C[5]C[5]C[6]C)(C[5]C[5]CH){2|C<4>,5|H<1>}	106.5020	0.000	1	106.5020	0.000	1	106.5020	0.000	1	109.5295	5.517	22	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCCH)(H)	C(C[5]C[5]O[5]H)(CCCH)(CHHS)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCCH)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(CCCH)(CHHS)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<2>}	103.6030	0.000	1	103.6030	0.000	1	104.8910	3.318	2	109.5295	5.517	22	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCCH)(H)	C(C[5]C[5]O[5]H)(CCHH)(CHHS)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCCH)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(CCHH)(CHHS)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<2>}	106.1790	0.000	1	106.1790	0.000	1	104.8910	3.318	2	109.5295	5.517	22	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCCH)(H)	C(C[5]C[5]O[5]H)(CHHO)(CH3)(H)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HO)(O[5]C[5])(CCCH)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(CHHO)(CH3)(H)	O[5](C[5]C[5]CH)2{1|O<2>,3|H<1>}	109.2570	0.000	1	109.2570	0.000	1	110.7697	2.537	9	109.5295	5.517	22	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CCCH)(H)	C(C[5]C[5]O[5]H)(CCHO)(CH3)(H)	O[5](C[5]C[5]CH)(C[5]N[5]CC)	C[5](C[5]N[5]CH)(O[5]C[5])(CCCH)(H){1|C<3>,2|C<4>}	C(C[5]C[5]O[5]H)(CCHO)(CH3)(H)	O[5](C[5]C[5]CH)(C[5]N[5]CC){1|C<3>,1|C<4>,1|H<1>}	111.7250	3.857	2	111.7250	14.873	2	110.7697	2.537	9	109.5295	5.517	22	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCCH)(H)	C(C[5]C[5]O[5]H)(CCHH)(CHHO)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCCH)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCHH)(CHHO)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	110.9535	0.391	4	110.9535	0.153	4	110.7697	2.537	9	109.5295	5.517	22	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCCH)(H)	C(C[5]C[5]O[5]H)(CCCH)(CCCN)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CCCH)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCCH)(CCCN)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	110.0150	0.000	1	110.0150	0.000	1	110.7697	2.537	9	109.5295	5.517	22	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CCCH)(H)	C(C[5]C[5]O[5]H)(CCCH)(CCCS)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CCCH)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCCH)(CCCS)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	110.3910	0.000	1	110.3910	0.000	1	110.7697	2.537	9	109.5295	5.517	22	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,6])(CCCO)(H)	C(C[5]C[5]O[5]H)(CH3)2(O)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5,6])(CCCO)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5]O[5]H)(CH3)2(O)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH){1|O<1>,3|C<3>,5|H<1>}	108.5630	0.000	1	108.5630	0.000	1	108.5630	0.000	1	109.5295	5.517	22	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCCO)(H)	C(C[5]C[5]O[5]H)(CCFF)2(O)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCCO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCFF)2(O)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	110.2570	0.000	1	110.2570	0.000	1	110.2570	0.000	1	109.5295	5.517	22	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:N-4:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHN)(H)	C(C[5]C[5]O[5]H)(CCHH)(NCHH)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCHN)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(CCHH)(NCHH)(H)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<2>}	109.8473	1.172	3	109.8473	1.373	3	109.8473	1.373	3	109.5295	5.517	22	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]CH)(H)	C(C[5]C[5,6]C[5]H)(C[5]C[5]O[5]H)(CH3)(H)	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]CH)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5,6]C[5]H)(C[5]C[5]O[5]H)(CH3)(H)	O[5](C[5]C[5]CC)(C[5]C[5]CH){1|O<2>,3|H<1>}	110.0240	0.000	1	110.0240	0.000	1	110.1380	0.026	2	109.5295	5.517	22	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]CH)(H)	C(C[5]C[5,6]C[5]H)(C[5]C[5]O[5]H)(CH3)(H)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]CH)(H){1|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]H)(C[5]C[5]O[5]H)(CH3)(H)	O[5](C[5]C[5]CH)2{4|H<1>}	110.2520	0.000	1	110.2520	0.000	1	110.1380	0.026	2	109.5295	5.517	22	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:1:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:N-4:C-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H)	C(C[5]C[5]O[5]H)(NRuHH)(CH3)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHN)(H){2|C<4>}	C(C[5]C[5]O[5]H)(NRuHH)(CH3)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	107.5495	1.739	2	107.5495	3.023	2	107.5495	3.023	2	109.5295	5.517	22	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:2:	4:4:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCCO)(H)	C(C[5]C[5,5]O[5]H)(CH3)2(OH)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCCO)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[5]C[5,5]O[5]H)(CH3)2(OH)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO){2|H<1>,2|O<2>}	110.9760	0.000	1	110.9760	0.000	1	110.9760	0.000	1	109.1306	3.585	59	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:2:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCCO)(H)	C(C[5]C[5,6]O[5]H)(CCHH)(CH3)(OH)	O[5](C[5]C[5,6]CH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCCO)(H){1|C<3>,3|C<4>,3|H<1>}	C(C[5]C[5,6]O[5]H)(CCHH)(CH3)(OH)	O[5](C[5]C[5,6]CH)2{1|C<3>,1|C<4>,2|H<1>}	113.1380	4.519	4	111.3528	19.929	6	111.3528	19.929	6	109.1306	3.585	59	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:2:	4:4:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCCO)(H)	C(C[5]C[5,6]O[5]H)(CCHH)(CH3)(OH)	O[5](C[5]C[5,6]CH)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCCO)(H){2|C<3>,2|C<4>,3|H<1>}	C(C[5]C[5,6]O[5]H)(CCHH)(CH3)(OH)	O[5](C[5]C[5,6]CH)2{1|C<3>,1|C<4>,2|H<1>}	107.7825	0.359	2	111.3528	19.929	6	111.3528	19.929	6	109.1306	3.585	59	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:2:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:N-2:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCCN)(H)	C(C[5]C[5]O[5]H)(CHHO)2(NN)	O[5](C[5]C[5]CH)(C[5]C[5]HO)	C[5](C[5]C[5]HO)(O[5]C[5])(CCCN)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(CHHO)2(NN)	O[5](C[5]C[5]CH)(C[5]C[5]HO){2|H<1>,2|O<2>}	111.3420	0.000	1	111.3420	0.000	1	111.3420	0.000	1	109.1306	3.585	59	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:2:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCCO)(H)	C(C[5]C[5]O[5]H)(CHHN)(CHHO)(OH)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCCO)(H){2|H<1>,2|O<2>}	C(C[5]C[5]O[5]H)(CHHN)(CHHO)(OH)	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CH){1|C<4>,2|H<1>,2|O<2>}	108.9540	0.000	1	108.9540	0.000	1	108.9540	0.000	1	109.1306	3.585	59	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:2:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCCO)(H)	C(C[5]C[5]O[5]H)(CH3)2(OH)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCCO)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]O[5]H)(CH3)2(OH)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	112.1930	0.000	1	112.1930	0.000	1	110.6175	4.964	2	109.1306	3.585	59	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:2:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,6])(CCCO)(H)	C(C[5]C[5]O[5]H)(CH3)2(OH)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5,6])(CCCO)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5]O[5]H)(CH3)2(OH)	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH){1|O<1>,3|C<3>,5|H<1>}	109.0420	0.000	1	109.0420	0.000	1	110.6175	4.964	2	109.1306	3.585	59	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:2:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H)	C(C[5]C[5]O[5]H)(CCHH)(CH3)(OH)	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H){2|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(CCHH)(CH3)(OH)	O[5](C[5]C[5]CC)(C[5]C[5]CH){4|H<1>}	110.0910	1.052	2	110.0910	1.107	2	108.7100	1.116	48	109.1306	3.585	59	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:2:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H)	C(C[5]C[5]O[5]H)(CCHH)2(OH)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(CCHH)2(OH)	O[5](C[5]C[5]CH)2{4|H<1>}	109.6610	0.000	1	109.6610	0.000	1	108.7100	1.116	48	109.1306	3.585	59	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:2:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H)	C(C[5]C[5]O[5]H)(CC[5]HH)(CH3)(OH)	O[5](C[5]C[5]2O)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]H)(CC[5]HH)(CH3)(OH)	O[5](C[5]C[5]2O)(C[5]C[5]CH){1|C<4>,1|O<2>,5|H<1>}	109.8380	0.000	1	109.8380	0.000	1	108.7100	1.116	48	109.1306	3.585	59	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:2:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H)	C(C[5]C[5]O[5]H)(CH3)2(OH)	O[5](C[5]C[5]2C)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H){2|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(CH3)2(OH)	O[5](C[5]C[5]2C)(C[5]C[5]CH){1|C<4>,1|O<2>,5|H<1>}	108.3585	0.407	2	108.9908	1.074	18	108.7100	1.116	48	109.1306	3.585	59	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:2:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H)	C(C[5]C[5]O[5]H)(CH3)2(OH)	O[5](C[5]C[5]2C)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H){2|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(CH3)2(OH)	O[5](C[5]C[5]2C)(C[5]C[5]CH){2|C<4>,5|H<1>}	109.0698	1.070	16	108.9908	1.074	18	108.7100	1.116	48	109.1306	3.585	59	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:2:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H)	C(C[5]C[5]O[5]H)(CH3)2(OH)	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(CH3)2(OH)	O[5](C[5]C[5]CC)(C[5]C[5]CH){4|H<1>}	106.7970	0.000	1	106.7970	0.000	1	108.7100	1.116	48	109.1306	3.585	59	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:2:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H)	C(C[5]C[5]O[5]H)(CH3)2(OH)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(CH3)2(OH)	O[5](C[5]C[5]CH)2{4|H<1>}	107.6135	0.628	6	107.6135	0.395	6	108.7100	1.116	48	109.1306	3.585	59	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:2:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCCO)(H)	C(C[5]C[5]O[5]H)(CCFF)2(OH)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCCO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CCFF)2(OH)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	108.8049	1.076	9	108.8049	1.157	9	108.7100	1.116	48	109.1306	3.585	59	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:2:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCCO)(H)	C(C[5]C[5]O[5]H)(CF3)2(OH)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCCO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CF3)2(OH)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<3>,1|H<1>}	109.6180	0.000	1	108.4785	0.589	6	108.7100	1.116	48	109.1306	3.585	59	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:2:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCCO)(H)	C(C[5]C[5]O[5]H)(CF3)2(OH)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCCO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CF3)2(OH)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	108.2506	0.589	5	108.4785	0.589	6	108.7100	1.116	48	109.1306	3.585	59	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:2:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCCO)(H)	C(C[5]C[5]O[5]H)(CH3)2(OH)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCCO)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CH3)2(OH)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	108.4928	0.111	4	108.4928	0.012	4	108.7100	1.116	48	109.1306	3.585	59	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC3)(H)	C(C[5]C[5]O[5]H)(CH3)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CC3)(H){1|H<1>,3|C<4>}	C(C[5]C[5]O[5]H)(CH3)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH){1|O<2>,3|C<4>,3|H<1>}	109.6070	0.000	1	109.6070	0.000	1	109.6070	0.000	1	109.5090	0.019	2	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:1:	4:4:4:4:	4:4:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CC3)(H)	C(C[5]C[5]O[5]H)(CHHS)(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CC3)(H){2|C<4>}	C(C[5]C[5]O[5]H)(CHHS)(CH3)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<2>,1|H<1>}	109.4110	0.000	1	109.4110	0.000	1	109.4110	0.000	1	109.5090	0.019	2	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:2:	4:1:1:1:	3:4:	C[5]-4:O[5]-2:C-4:N-2:	C[5]-4:H-1:H-1:H-1:	N[5,5]-3:C[5]-4:	C[5](C[5]C[5,5]CH)(O[5]N[5,5])(CH3)(NN)	C(C[5]C[5]O[5]N)(H)3	O[5](N[5,5]C[5,5]C[5])(C[5]C[5]CN)	C[5](C[5]C[5,5]CH)(O[5]N[5,5])(CH3)(NN){1|H<1>,2|C<4>}	C(C[5]C[5]O[5]N)(H)3	O[5](N[5,5]C[5,5]C[5])(C[5]C[5]CN){1|C<3>,2|C<4>,4|H<1>}	107.3710	0.000	1	107.3710	0.000	1	107.3710	0.000	1	107.3710	0.000	1	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:2:	4:1:1:1:	4:2:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:F-1:F-1:F-1:	C[5]-4:O[5]-2:	C[5](C[5]C[5]HH)(O[5]O[5])(CF3)(OH)	C(C[5]C[5]O[5]O)(F)3	O[5](C[5]C[5]CO)(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]O[5])(CF3)(OH){1|C<4>,1|O<2>}	C(C[5]C[5]O[5]O)(F)3	O[5](C[5]C[5]CO)(O[5]C[5]){1|C<4>,1|O<2>,2|H<1>}	103.9380	0.021	2	103.9380	0.000	2	103.9380	0.000	2	105.6133	2.396	6	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:2:	4:1:1:1:	4:2:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:	C[5](C[5]C[5]CH)(O[5]O[5])(CH3)(OO)	C(C[5]C[5]O[5]O)(H)3	O[5](C[5]C[5]CO)(O[5]C[5])	C[5](C[5]C[5]CH)(O[5]O[5])(CH3)(OO){1|O<1>}	C(C[5]C[5]O[5]O)(H)3	O[5](C[5]C[5]CO)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>}	105.5580	0.604	2	105.5580	0.365	2	106.4510	1.186	4	105.6133	2.396	6	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:2:	4:1:1:1:	4:2:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:	C[5](C[5]C[5]HH)(O[5]O[5])(CH3)(OO)	C(C[5]C[5]O[5]O)(H)3	O[5](C[5]C[5]CO)(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]O[5])(CH3)(OO){1|C<4>,1|O<2>}	C(C[5]C[5]O[5]O)(H)3	O[5](C[5]C[5]CO)(O[5]C[5]){1|C<4>,1|O<2>,2|H<1>}	107.3440	0.052	2	107.3440	0.003	2	106.4510	1.186	4	105.6133	2.396	6	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:2:	4:1:1:1:	4:4:	C[5,5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,6]H)(O[5]C[5,6])(CH3)(OH)	C(C[5]C[5,5]O[5]O)(H)3	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]CO)	C[5](C[5,5]C[5,5,6]C[5,6]H)(O[5]C[5,6])(CH3)(OH){1|O<2>,3|C<4>,3|H<1>}	C(C[5]C[5,5]O[5]O)(H)3	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]CO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	108.5860	0.000	1	108.5860	0.000	1	108.5860	0.000	1	107.3650	2.692	23	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:2:	4:1:1:1:	4:4:	C[5,5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]C)(O[5]C[5])(CH3)(OH)	C(C[5]C[5,5]O[5]O)(H)3	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]CO)	C[5](C[5,5]C[5,5]C[5]C)(O[5]C[5])(CH3)(OH){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[5,5]O[5]O)(H)3	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]CO){1|H<1>,2|C<3>,4|C<4>}	108.0965	0.132	2	108.0965	0.017	2	107.8383	0.209	3	107.3650	2.692	23	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:2:	4:1:1:1:	4:4:	C[5,5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CH3)(OH)	C(C[5]C[5,5]O[5]O)(H)3	O[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CH3)(OH){1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[5,5]O[5]O)(H)3	O[5](C[5]C[5,5]CO)(C[5]C[5,5]HH){1|C<4>,1|H<1>,2|O<2>}	107.3220	0.000	1	107.3220	0.000	1	107.8383	0.209	3	107.3650	2.692	23	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:2:	4:1:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CH3)(OH)	C(C[5]C[5,6]O[5]O)(H)3	O[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]CO)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CH3)(OH){3|H<1>,4|C<4>}	C(C[5]C[5,6]O[5]O)(H)3	O[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]CO){4|C<4>,6|H<1>}	107.7840	0.225	2	107.7840	0.051	2	107.7840	0.051	2	107.3650	2.692	23	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:2:	4:1:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(CH3)(OC)	C(C[5]C[5,6]O[5]O)(H)3	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]CO)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(CH3)(OC){2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,6]O[5]O)(H)3	O[5](C[5]C[5,6,6]HH)(C[5]C[5,6]CO){1|C<4>,1|H<1>,2|C<3>}	108.2560	0.000	1	108.2560	0.000	1	108.2560	0.000	1	107.3650	2.692	23	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:2:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:Br-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CBrHH)(OC)	C(C[5]C[5]O[5]O)(Br)(H)2	O[5](C[5]C[5]CO)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(CBrHH)(OC){4|H<1>}	C(C[5]C[5]O[5]O)(Br)(H)2	O[5](C[5]C[5]CO)(C[5]C[5]HH){4|H<1>}	104.5580	0.000	1	104.5580	0.000	1	103.9695	0.693	2	107.3650	2.692	23	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:2:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:Br-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CBrHH)(OC[6])	C(C[5]C[5]O[5]O)(Br)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]CO)	C[5](C[5]C[5]HO)(O[5]C[5])(CBrHH)(OC[6]){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]O)(Br)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]CO){2|H<1>,2|O<2>}	103.3810	0.000	1	103.3810	0.000	1	103.9695	0.693	2	107.3650	2.692	23	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:2:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:Cl-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CClHH)(OC[6])	C(C[5]C[5]O[5]O)(Cl)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]CO)	C[5](C[5]C[5]HO)(O[5]C[5])(CClHH)(OC[6]){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]O)(Cl)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]CO){2|H<1>,2|O<2>}	107.7578	2.761	4	107.7578	7.623	4	107.7578	7.623	4	107.3650	2.692	23	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:2:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:F-1:F-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CFFH)(OH)	C(C[5]C[5]O[5]O)(F)2(H)	O[5](C[5]C[5]CO)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CFFH)(OH){2|C<4>}	C(C[5]C[5]O[5]O)(F)2(H)	O[5](C[5]C[5]CO)(C[5]O[5]CC){1|C<4>,1|H<1>}	105.5160	0.000	1	105.5160	0.000	1	105.5160	0.000	1	107.3650	2.692	23	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:2:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CH3)(OH)	C(C[5]C[5]O[5]O)(H)3	O[5](C[5,5]C[5,5]C[6a]N[5])(C[5]C[5]CO)	C[5](C[5]C[5,5]HH)(O[5]C[5,5])(CH3)(OH){1|C<4>,1|N<3>,2|C<3>}	C(C[5]C[5]O[5]O)(H)3	O[5](C[5,5]C[5,5]C[6a]N[5])(C[5]C[5]CO){2|C<4>,2|H<1>,4|C<3>}	108.0810	0.000	1	108.0810	0.000	1	107.4156	0.153	7	107.3650	2.692	23	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:2:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5,5])(CH3)(OC)	C(C[5]C[5]O[5]O)(H)3	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CO)	C[5](C[5]C[5]CH)(O[5]C[5,5])(CH3)(OC){1|H<1>,1|O<2>,2|C<3>}	C(C[5]C[5]O[5]O)(H)3	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CO){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	107.1117	0.096	3	107.1117	0.009	3	107.4156	0.153	7	107.3650	2.692	23	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:2:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5,5])(CH3)(OH)	C(C[5]C[5]O[5]O)(H)3	O[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]CO)	C[5](C[5]C[5]CH)(O[5]C[5,5])(CH3)(OH){1|H<1>,3|C<3>}	C(C[5]C[5]O[5]O)(H)3	O[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]CO){2|H<1>,6|C<3>}	107.8130	0.000	1	107.8130	0.000	1	107.4156	0.153	7	107.3650	2.692	23	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:2:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5,5])(CH3)(OH)	C(C[5]C[5]O[5]O)(H)3	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CO)	C[5](C[5]C[5]CH)(O[5]C[5,5])(CH3)(OH){1|H<1>,3|C<3>}	C(C[5]C[5]O[5]O)(H)3	O[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CO){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	107.2630	0.000	1	107.2630	0.000	1	107.4156	0.153	7	107.3650	2.692	23	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:2:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5,5])(CH3)(OH)	C(C[5]C[5]O[5]O)(H)3	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CO)	C[5](C[5]C[5]CH)(O[5]C[5,5])(CH3)(OH){1|H<1>,1|O<2>,2|C<3>}	C(C[5]C[5]O[5]O)(H)3	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CO){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	107.4170	0.000	1	107.4170	0.000	1	107.4156	0.153	7	107.3650	2.692	23	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:2:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,6])(CH3)(OO)	C(C[5]C[5]O[5]O)(H)3	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]CO)	C[5](C[5]C[5]HH)(O[5]C[5,6])(CH3)(OO){2|C<4>,2|H<1>}	C(C[5]C[5]O[5]O)(H)3	O[5](C[5,6]C[5]C[6]2)(C[5]C[5]CO){1|O<2>,4|H<1>,5|C<4>}	109.2800	0.000	1	109.2800	0.000	1	109.2800	0.000	1	107.3650	2.692	23	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:2:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(OH)	C(C[5]C[5]O[5]O)(H)3	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CO)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(OH){2|C<3>,2|H<1>}	C(C[5]C[5]O[5]O)(H)3	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CO){3|C<3>,3|H<1>}	107.7950	0.000	1	107.7950	0.000	1	107.7950	0.000	1	107.3650	2.692	23	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:2:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:N-2:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(NN)	C(C[5]C[5]O[5]N)(OH)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CN)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(NN){1|F<1>,1|N<3>,2|H<1>}	C(C[5]C[5]O[5]N)(OH)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CN){1|F<1>,1|O<2>,2|C<3>,2|H<1>}	110.9260	0.000	1	110.9260	0.000	1	110.9260	0.000	1	109.2832	0.999	5	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:2:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(OC)	C(C[5]C[5]O[5]O)(OH)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CO)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(OC){1|F<1>,1|N<3>,2|H<1>}	C(C[5]C[5]O[5]O)(OH)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CO){1|F<1>,1|O<2>,2|C<3>,2|H<1>}	109.1850	0.137	2	109.0853	0.039	3	108.8725	0.207	4	109.2832	0.999	5	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:2:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(OC)	C(C[5]C[5]O[5]O)(OH)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CO)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(OC){1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]O)(OH)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CO){2|C<3>,2|H<1>,2|O<2>}	108.8860	0.000	1	109.0853	0.039	3	108.8725	0.207	4	109.2832	0.999	5	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:2:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(OH)	C(C[5]C[5]O[5]O)(OH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]CO)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(OH){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]O)(OH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]CO){2|H<1>,2|O<2>}	108.2340	0.000	1	108.2340	0.000	1	108.8725	0.207	4	109.2832	0.999	5	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:2:	4:2:2:1:	4:4:	C[5]-4:O[5]-2:C-4:C-2:	C[5]-4:C-2:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(CC)	C(C[5]C[5]O[5]C)(CC)(OC)(H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(CC){1|C<3>,1|H<1>}	C(C[5]C[5]O[5]C)(CC)(OC)(H)	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC){1|C<4>,1|H<1>,2|C<3>}	107.9990	0.000	1	107.9990	0.000	1	107.9990	0.000	1	107.9990	0.000	1	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:2:	4:3:1:1:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C-3:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHH)(OH)	C(C[5]C[5]O[5]O)(CCH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CO)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CCHH)(OH){1|O<2>,3|C<4>}	C(C[5]C[5]O[5]O)(CCH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	108.5170	1.013	2	108.5170	1.025	2	108.5170	1.025	2	108.5165	1.860	4	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:2:	4:3:1:1:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(OH)	C(C[5]C[5]O[5]O)(COO)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]CO)	C[5](C[5]C[5]CH)(O[5]C[5])(CCHH)(OH){1|O<1>,2|C<4>}	C(C[5]C[5]O[5]O)(COO)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]CO){1|C<4>,1|H<1>,1|O<1>}	107.0070	0.000	1	107.0070	0.000	1	107.0070	0.000	1	108.5165	1.860	4	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:2:	4:3:1:1:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(OH)	C(C[5]C[5]O[5]O)(NCC)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]CO)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHN)(OH){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]O)(NCC)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]CO){2|H<1>,2|O<2>}	110.0250	0.000	1	110.0250	0.000	1	110.0250	0.000	1	108.5165	1.860	4	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:2:	4:4:1:1:	4:2:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:	C[5](C[5]C[5]HH)(O[5]O[5])(CCHH)(OO)	C(C[5]C[5]O[5]O)(CC[6a]HH)(H)2	O[5](C[5]C[5]CO)(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]O[5])(CCHH)(OO){2|C<4>}	C(C[5]C[5]O[5]O)(CC[6a]HH)(H)2	O[5](C[5]C[5]CO)(O[5]C[5]){2|C<4>,2|H<1>}	106.4610	0.000	1	106.4610	0.000	1	106.4610	0.000	1	106.4610	0.000	1	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:2:	4:4:1:1:	4:4:	C[5,5]-4:O[5]-2:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(CCHH)(OH)	C(C[5]C[5,5]O[5]O)(CH3)(H)2	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]CO)	C[5](C[5,5]C[5,5,6]C[5,5]H)(O[5]C[5,6])(CCHH)(OH){1|O<2>,3|C<4>,3|H<1>}	C(C[5]C[5,5]O[5]O)(CH3)(H)2	O[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]CO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	107.4130	0.000	1	107.4130	0.000	1	107.4130	0.000	1	108.6259	4.733	13	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:2:	4:4:1:1:	4:4:	C[5,5]-4:O[5]-2:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]O)(O[5]C[5])(CCHH)(OH)	C(C[5]C[5,5]O[5]O)(CC3)(H)2	O[5](C[5]C[5,5]CC)(C[5]C[5,5]CO)	C[5](C[5,5]C[5,5]O[5]O)(O[5]C[5])(CCHH)(OH){1|H<1>,4|C<4>}	C(C[5]C[5,5]O[5]O)(CC3)(H)2	O[5](C[5]C[5,5]CC)(C[5]C[5,5]CO){1|C<4>,1|H<1>,2|O<2>}	110.9250	0.000	1	110.9250	0.000	1	110.9250	0.000	1	108.6259	4.733	13	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:2:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-2:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CCHH)(CN)	C(C[5]C[5]O[5]C)(CCHH)(H)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CCHH)(CN){2|C<4>,2|H<1>}	C(C[5]C[5]O[5]C)(CCHH)(H)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC){3|C<4>,4|H<1>}	108.9250	0.000	1	108.9250	0.000	1	108.9250	0.000	1	108.6259	4.733	13	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:2:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C-4:F-1:F-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCFF)(OH)	C(C[5]C[5]O[5]O)(CF3)(F)2	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]CO)	C[5](C[5]C[5,5]HO)(O[5]C[5,5])(CCFF)(OH){1|C<4>,1|H<1>,2|O<2>}	C(C[5]C[5]O[5]O)(CF3)(F)2	O[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]CO){1|C<4>,2|H<1>,2|O<2>}	103.0010	0.000	1	103.0010	0.000	1	103.0010	0.000	1	108.6259	4.733	13	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:2:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]BrH)(O[5]C[5,5])(CCHH)(OC)	C(C[5]C[5]O[5]O)(CCHH)(H)2	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CO)	C[5](C[5]C[5,5]BrH)(O[5]C[5,5])(CCHH)(OC){1|C<4>,1|H<1>,2|O<2>}	C(C[5]C[5]O[5]O)(CCHH)(H)2	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CO){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	107.4060	0.000	1	107.4060	0.000	1	107.4060	0.000	1	108.6259	4.733	13	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:2:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CC)(O[5]C[5])(CCHH)(OH)	C(C[5]C[5]O[5]O)(CCHH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]CO)	C[5](C[5]C[5]CC)(O[5]C[5])(CCHH)(OH){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]O)(CCHH)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]CO){1|O<1>,2|C<4>}	110.3070	0.000	1	110.3070	0.000	1	109.0217	1.686	4	108.6259	4.733	13	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:2:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(OO)	C(C[5]C[5]O[5]O)(CCHH)(H)2	O[5](C[5]C[5]CO)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(OO){1|C<4>,1|N<3>,2|H<1>}	C(C[5]C[5]O[5]O)(CCHH)(H)2	O[5](C[5]C[5]CO)(C[5]C[5]HH){1|C<4>,1|N<3>,2|H<1>}	108.5933	1.195	3	108.5933	1.428	3	109.0217	1.686	4	108.6259	4.733	13	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:2:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(CC[5]HH)(OC)	C(C[5]C[5,5]C[5]C)(C[5]C[5]O[5]O)(H)2	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]CO)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6])(CC[5]HH)(OC){1|C<3>,1|H<1>,2|C<4>}	C(C[5]C[5,5]C[5]C)(C[5]C[5]O[5]O)(H)2	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]CO){1|C<3>,3|C<4>,3|H<1>}	107.3450	0.000	1	107.3450	0.000	1	107.3450	0.000	1	108.6259	4.733	13	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:2:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HH)(OH)	C(C[5]C[5]O[5]O)(C[5]C[5]2H)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]CO)	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HH)(OH){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]O)(C[5]C[5]2H)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]CO){1|C<4>,3|H<1>}	110.3450	0.560	3	110.3450	0.314	3	110.3450	0.314	3	108.6259	4.733	13	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:2:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HO)(OH)	C(C[5]C[5]O[5]O)(C[5]C[5]2H)(OC)(H)	O[5](C[5]C[5]CH)(C[5]C[5]CO)	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HO)(OH){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]O)(C[5]C[5]2H)(OC)(H)	O[5](C[5]C[5]CH)(C[5]C[5]CO){1|C<4>,3|H<1>}	105.0973	1.006	4	105.0973	1.011	4	105.6710	2.404	5	105.6710	2.404	5	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:2:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HO)(OH)	C(C[5]C[5]O[5]O)(C[5]C[5]2H)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]CO)	C[5](C[5]C[5]CH)(O[5]C[5])(CC[5]HO)(OH){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]O)(C[5]C[5]2H)(OH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]CO){1|C<4>,3|H<1>}	107.9660	0.000	1	107.9660	0.000	1	105.6710	2.404	5	105.6710	2.404	5	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:2:	4:4:4:1:	4:4:	C[3,5]-4:O[5]-2:C-4:O-2:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:	C[5](C[3,5]C[3,5]O[3]C)(O[5]C[5])(CCCH)(OO)	C(C[5]C[3,5]O[5]O)(CH3)2(H)	O[5](C[5]C[3,5]C[6a]O)(C[5]C[3,5]CO)	C[5](C[3,5]C[3,5]O[3]C)(O[5]C[5])(CCCH)(OO){1|O<2>,2|C<3>}	C(C[5]C[3,5]O[5]O)(CH3)2(H)	O[5](C[5]C[3,5]C[6a]O)(C[5]C[3,5]CO){1|O<2>,4|C<3>}	108.2090	0.000	1	108.2090	0.000	1	108.2090	0.000	1	107.6263	1.108	3	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:2:	4:4:4:1:	4:4:	C[5,5]-4:O[5]-2:C-4:O-2:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CCCH)(OH)	C(C[5]C[5,5]O[5]O)(CCHH)(CH3)(H)	O[5](C[5]C[5,5]CC)(C[5]C[5,5]CO)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CCCH)(OH){1|H<1>,1|O<1>,4|C<4>}	C(C[5]C[5,5]O[5]O)(CCHH)(CH3)(H)	O[5](C[5]C[5,5]CC)(C[5]C[5,5]CO){1|C<3>,1|C<4>,2|H<1>}	108.2590	0.000	1	108.2590	0.000	1	108.2590	0.000	1	107.6263	1.108	3	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:2:	4:4:4:1:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CCCH)(OH)	C(C[5]C[5]O[5]O)(CCHH)(CH3)(H)	O[5](C[5]C[5]CH)(C[5]C[5]CO)	C[5](C[5]C[5]CH)(O[5]C[5])(CCCH)(OH){1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]O[5]O)(CCHH)(CH3)(H)	O[5](C[5]C[5]CH)(C[5]C[5]CO){2|C<3>,2|H<1>}	106.4110	0.000	1	106.4110	0.000	1	106.4110	0.000	1	107.6263	1.108	3	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:2:	4:4:4:2:	4:4:	C[5,6]-4:O[5]-2:C-4:O-2:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCCO)(OH)	C(C[5]C[5,6]O[5]O)(CC[5]HH)(CHHO)(OH)	O[5](C[5]C[5,6]CC)(C[5]C[5,6]CO)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CCCO)(OH){1|H<1>,1|O<2>,5|C<4>}	C(C[5]C[5,6]O[5]O)(CC[5]HH)(CHHO)(OH)	O[5](C[5]C[5,6]CC)(C[5]C[5,6]CO){2|C<4>,2|H<1>}	106.6770	0.000	1	106.6770	0.000	1	106.6770	0.000	1	107.4475	1.708	4	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:2:	4:4:4:2:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(OH)	C(C[5]C[5]O[5]O)(CH3)2(OH)	O[5](C[5]C[5]2C)(C[5]C[5]CO)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(OH){2|C<4>,2|H<1>}	C(C[5]C[5]O[5]O)(CH3)2(OH)	O[5](C[5]C[5]2C)(C[5]C[5]CO){1|C<4>,1|O<2>,5|H<1>}	106.0760	0.000	1	107.7043	2.166	3	107.7043	2.166	3	107.4475	1.708	4	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:2:	4:4:4:2:	4:4:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(OH)	C(C[5]C[5]O[5]O)(CH3)2(OH)	O[5](C[5]C[5]2C)(C[5]C[5]CO)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCO)(OH){2|C<4>,2|H<1>}	C(C[5]C[5]O[5]O)(CH3)2(OH)	O[5](C[5]C[5]2C)(C[5]C[5]CO){2|C<4>,5|H<1>}	108.5185	0.596	2	107.7043	2.166	3	107.7043	2.166	3	107.4475	1.708	4	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:2:	4:4:4:4:	4:4:	C[5,5]-4:O[5]-2:C-4:O-2:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(O[5]C[5])(CC3)(OH)	C(C[5]C[5,5]O[5]O)(CH3)3	O[5](C[5]C[5,5]CC)(C[5]C[5,5]CO)	C[5](C[5,5]C[5,6a]C[5,5]H)(O[5]C[5])(CC3)(OH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C(C[5]C[5,5]O[5]O)(CH3)3	O[5](C[5]C[5,5]CC)(C[5]C[5,5]CO){1|C<3>,1|N<3>,2|H<1>}	107.8140	0.000	1	107.8140	0.000	1	107.8140	0.000	1	108.6317	0.511	3	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:2:	4:4:4:4:	4:4:	P[5]-4:O[5]-2:C-4:C-2:	C[5]-4:C-4:C-4:C-4:	B[5]-4:C[5]-4:	C[5](P[5]C[6a]C[5]H)(O[5]B[5])(CC3)(CC)	C(C[5]O[5]P[5]C)(CH3)3	O[5](B[5]C[6a]2C[5])(C[5]P[5]CC)	C[5](P[5]C[6a]C[5]H)(O[5]B[5])(CC3)(CC){5|C<3>}	C(C[5]O[5]P[5]C)(CH3)3	O[5](B[5]C[6a]2C[5])(C[5]P[5]CC){1|H<1>,6|C<3>}	109.0405	0.135	2	109.0405	0.018	2	109.0405	0.018	2	108.6317	0.511	3	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:3:	4:1:1:1:	3:4:	C[5,5]-4:O[5]-2:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5]H)(O[5]N[5])(CH3)(CCO)	C(C[5]C[5,5]O[5]C)(H)3	O[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CC)	C[5](C[5,5]C[5,6a]C[5,5]H)(O[5]N[5])(CH3)(CCO){1|C<4>,1|H<1>,3|C<3>}	C(C[5]C[5,5]O[5]C)(H)3	O[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CC){1|C<4>,2|H<1>,3|C<3>}	108.1570	0.000	1	108.1570	0.000	1	108.1570	0.000	1	108.1570	0.000	1	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:3:	4:1:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)(COO)	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CC)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)(COO){1|O<2>,2|H<1>,4|C<4>}	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CC){1|C<2>,2|O<2>,3|H<1>,4|C<4>}	108.4670	0.000	1	108.4670	0.000	1	108.4670	0.000	1	109.0788	2.517	11	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:3:	4:1:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(CH3)(COO)	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5,6]C[6,6a]O[5,6]O)(C[5]C[5,6]CC)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])(CH3)(COO){1|O<1>,1|O<2>,2|C<3>}	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5,6]C[6,6a]O[5,6]O)(C[5]C[5,6]CC){1|H<1>,3|C<3>}	109.9530	0.000	1	109.9530	0.000	1	109.9530	0.000	1	109.0788	2.517	11	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:3:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CC)(O[5]C[5])(CH3)(CCH)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]CC)(O[5]C[5])(CH3)(CCH){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]CH){2|C<3>,2|H<1>}	106.9700	0.000	1	106.9700	0.000	1	109.1681	3.874	7	109.0788	2.517	11	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:3:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)(COO)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)2	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)(COO){2|C<4>,2|H<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)2{1|C<4>,3|H<1>}	108.0240	0.000	1	108.0240	0.000	1	109.1681	3.874	7	109.0788	2.517	11	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:3:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(CCH)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)2	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)(CCH){1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)2{4|H<1>}	108.2030	0.119	2	108.2030	0.014	2	109.1681	3.874	7	109.0788	2.517	11	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:3:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(CNO)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]HH)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(CNO){1|O<2>,3|H<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]HH){2|H<1>,2|O<2>}	109.2680	0.000	1	109.2680	0.000	1	109.1681	3.874	7	109.0788	2.517	11	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:3:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CH3)(COO)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CH3)(COO){1|H<1>,3|C<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC){1|H<1>,3|C<3>}	110.7960	0.000	1	110.7960	0.000	1	109.1681	3.874	7	109.0788	2.517	11	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:3:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CC)(O[5]C[5])(CH3)(COO)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]C[5])(CH3)(COO){1|C<3>,1|H<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC){2|C<2>,2|C<3>}	112.7130	0.000	1	112.7130	0.000	1	109.1681	3.874	7	109.0788	2.517	11	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:3:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:S[5]-4:	C[5](C[5]N[5]HH)(O[5]S[5])(CH3)(CNO)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(S[5]N[5]OO)	C[5](C[5]N[5]HH)(O[5]S[5])(CH3)(CNO){1|C<3>,2|O<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(S[5]N[5]OO){1|C<3>,2|H<1>}	109.0430	0.000	1	109.0430	0.000	1	108.6350	0.333	2	109.0788	2.517	11	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:3:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:S[5]-4:	C[5](C[5]N[5]HH)(O[5]S[5])(CH3)(COO)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(S[5]N[5]OO)	C[5](C[5]N[5]HH)(O[5]S[5])(CH3)(COO){1|C<3>,2|O<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(S[5]N[5]OO){1|C<3>,2|H<1>}	108.2270	0.000	1	108.2270	0.000	1	108.6350	0.333	2	109.0788	2.517	11	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:3:	4:1:1:1:	5:4:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	P[5]-5:C[5]-4:	C[5](C[5]C[6a]O[5]H)(O[5]P[5])(CH3)(CCO)	C(C[5]C[5]O[5]C)(H)3	O[5](P[5]O[5]O3)(C[5]C[5]CC)	C[5](C[5]C[6a]O[5]H)(O[5]P[5])(CH3)(CCO){2|C<3>,3|O<2>}	C(C[5]C[5]O[5]C)(H)3	O[5](P[5]O[5]O3)(C[5]C[5]CC){1|C<3>,1|H<1>}	107.8440	0.000	1	107.8440	0.000	1	107.8440	0.000	1	107.8440	0.000	1	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:3:	4:2:2:1:	4:4:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:C-2:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(CNO)	C(C[5]C[5]O[5]C)(CC)(OC)(H)	O[5](C[5]C[5]CC)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CCHO)(CNO){2|C<4>}	C(C[5]C[5]O[5]C)(CC)(OC)(H)	O[5](C[5]C[5]CC)(C[5]O[5]CC){1|C<4>,1|H<1>}	108.7310	0.000	1	108.7310	0.000	1	108.7310	0.000	1	108.7310	0.000	1	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:3:	4:3:1:1:	4:4:	C[5,5]-4:O[5]-2:C-4:C-3:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]N[5]H)(O[5]C[5])(CHHN)(CCO)	C(C[5]C[5,5]O[5]C)(NCS)(H)2	O[5](C[5]C[5,5]CC)(C[5]C[5,5]CO)	C[5](C[5,5]C[5,5]N[5]H)(O[5]C[5])(CHHN)(CCO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[5]C[5,5]O[5]C)(NCS)(H)2	O[5](C[5]C[5,5]CC)(C[5]C[5,5]CO){1|C<3>,1|N<3>,2|H<1>}	107.1140	0.000	1	107.1140	0.000	1	107.1140	0.000	1	107.6657	0.848	3	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:3:	4:3:1:1:	4:4:	C[5,5]-4:O[5]-2:C-4:N-3:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHH)(NCH)	C(C[5]C[5,5]O[5]N)(COO)(H)2	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]CN)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(CCHH)(NCH){1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[5,5]O[5]N)(COO)(H)2	O[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]CN){1|C<4>,3|H<1>,3|O<2>}	107.1540	0.000	1	107.1540	0.000	1	107.1540	0.000	1	107.6657	0.848	3	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:3:	4:3:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-3:	C[5]-4:C-3:H-1:H-1:	Si[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]Cr)(O[5]Si[5])(CCHH)(CCH)	C(C[5]C[5,6]O[5]C)(CCH)(H)2	O[5](Si[5]C[5,6]CC)(C[5]C[5,6]CC)	C[5](C[5,6]C[5,6]C[6]Cr)(O[5]Si[5])(CCHH)(CCH){1|H<1>,4|C<4>}	C(C[5]C[5,6]O[5]C)(CCH)(H)2	O[5](Si[5]C[5,6]CC)(C[5]C[5,6]CC){1|Cr<9>,2|C<4>}	108.7290	0.000	1	108.7290	0.000	1	108.7290	0.000	1	107.6657	0.848	3	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:3:	4:4:1:1:	4:2:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:	C[5](C[5]C[5]HH)(O[5]O[5])(CCHH)(CCH)	C(C[5]C[5]O[5]C)(CH3)(H)2	O[5](C[5]C[5]CC)(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]O[5])(CCHH)(CCH){1|C<3>,1|C<4>}	C(C[5]C[5]O[5]C)(CH3)(H)2	O[5](C[5]C[5]CC)(O[5]C[5]){1|C<3>,1|C<4>,2|H<1>}	105.4070	0.000	1	105.4070	0.000	1	105.4070	0.000	1	105.4070	0.000	1	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:3:	4:4:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CCHH)(CHO)	C(C[5]C[5]O[5]C)(CCHH)(H)2	O[5](C[5]C[5]CC)(N[5]C[5]O)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CCHH)(CHO){1|O<1>,3|C<3>}	C(C[5]C[5]O[5]C)(CCHH)(H)2	O[5](C[5]C[5]CC)(N[5]C[5]O){1|H<1>,2|C<3>}	108.8450	0.000	1	108.8450	0.000	1	108.8450	0.000	1	108.8450	0.000	1	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:3:	4:4:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-3:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)(CCH)	C(C[5]C[5,6]O[5]C)(CH3)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)(CCH){3|C<4>,4|H<1>}	C(C[5]C[5,6]O[5]C)(CH3)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC){1|C<3>,2|C<4>,4|H<1>}	108.9610	0.000	1	108.9610	0.000	1	108.9610	0.000	1	108.8127	0.017	3	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:3:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(COO)	C(C[5]C[5]O[5]C)(CCHH)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]HO)	C[5](C[5]C[5]HO)(O[5]C[5])(CCHH)(COO){1|O<1>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]C)(CCHH)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]HO){1|O<1>,1|O<2>,2|H<1>}	108.7470	0.000	1	108.7470	0.000	1	108.7470	0.000	1	108.8127	0.017	3	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:3:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:N-3:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CCHH)(NCC)	C(C[5]C[5]O[5]N)(CCHH)(H)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CN)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CCHH)(NCC){2|C<4>,2|H<1>}	C(C[5]C[5]O[5]N)(CCHH)(H)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CN){3|C<4>,4|H<1>}	108.7300	0.000	1	108.7300	0.000	1	108.7300	0.000	1	108.8127	0.017	3	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:3:	4:4:2:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-3:	C[5]-4:C-4:O-2:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5a,6]C[5,6]H)(O[5]C[5,6])(CCHO)(CCH)	C(C[5]C[5,6]O[5]C)(CH3)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CC)	C[5](C[5,6]C[5a,6]C[5,6]H)(O[5]C[5,6])(CCHO)(CCH){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C(C[5]C[5,6]O[5]C)(CH3)(OH)(H)	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CC){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	105.6350	0.000	1	105.6350	0.000	1	105.6350	0.000	1	105.6350	0.000	1	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:3:	4:4:4:4:	4:4:	C[5]-4:O[5]-2:C-4:N-3:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CC3)(NCC)	C(C[5]C[5]O[5]N)(CH3)3	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CN)	C[5](C[5]C[6a]O[5]H)(O[5]C[5])(CC3)(NCC){1|H<1>,3|C<3>}	C(C[5]C[5]O[5]N)(CH3)3	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CN){1|H<1>,3|C<3>}	105.0290	0.000	1	105.0290	0.000	1	105.0290	0.000	1	105.0290	0.000	1	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	3:4:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5,5]-3:C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(O[5]N[5,5])(CH3)2	C(C[5]C[5,5]O[5]C)(H)3	O[5](N[5,5]C[5,6a]C[3x5])(C[5]C[5,5]CC)	C[5](C[5,5]C[3x5]C[5]H)(O[5]N[5,5])(CH3)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[5]C[5,5]O[5]C)(H)3	O[5](N[5,5]C[5,6a]C[3x5])(C[5]C[5,5]CC){1|H<1>,2|C<4>,3|C<3>}	108.7520	4.480	2	108.7520	20.072	2	108.7520	20.072	2	108.7520	20.072	2	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:2:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:	C[5](C[5]C[5,6]HH)(O[5]O[5])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(O[5]C[5,6])	C[5](C[5]C[5,6]HH)(O[5]O[5])(CCHH)(CH3){2|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(O[5]C[5,6]){2|C<4>,2|H<1>}	110.1810	0.000	1	110.1810	0.000	1	108.7537	5.673	6	108.7537	5.673	6	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:2:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:	C[5](C[5]C[5]HH)(O[5]O[5])(CHHO)(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]O[5])(CHHO)(CH3){1|C<3>,1|O<2>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(O[5]C[5]){1|C<3>,1|O<2>,2|H<1>}	109.9830	0.110	2	108.4682	6.480	5	108.7537	5.673	6	108.7537	5.673	6	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:2:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:	C[5](C[5]C[5]HH)(O[5]O[5])(CHHO)(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]O[5])(CHHO)(CH3){1|C<4>,1|O<2>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(O[5]C[5]){1|C<4>,1|O<2>,2|H<1>}	108.1310	3.943	2	108.4682	6.480	5	108.7537	5.673	6	108.7537	5.673	6	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:2:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:	C[5](C[5]C[5]HH)(O[5]O[5])(CHHO)(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]O[5])(CHHO)(CH3){2|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(O[5]C[5]){2|C<4>,2|H<1>}	106.1130	0.000	1	108.4682	6.480	5	108.7537	5.673	6	108.7537	5.673	6	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:3:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:	C[5](C[5]C[5]HH)(O[5]N[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(N[5]C[5]C)	C[5](C[5]C[5]HH)(O[5]N[5])(CH3)2{3|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(N[5]C[5]C){2|C<4>,2|H<1>}	107.3700	2.686	2	107.3700	7.212	2	107.3700	7.212	2	107.3700	7.212	2	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[3,5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[3,5]C[3,5,6]C[3]H)(O[5]C[5,6])(CH3)2	C(C[5]C[3,5]O[5]C)(H)3	O[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]CC)	C[5](C[3,5]C[3,5,6]C[3]H)(O[5]C[5,6])(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C(C[5]C[3,5]O[5]C)(H)3	O[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	108.4315	2.330	2	108.4315	5.429	2	108.4315	5.429	2	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[4,5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[4,5]C[4,5,6]C[4]H)(O[5]C[5,6])(CH3)2	C(C[5]C[4,5]O[5]C)(H)3	O[5](C[5,6]C[4,5,6]O[6]O)(C[5]C[4,5]CC)	C[5](C[4,5]C[4,5,6]C[4]H)(O[5]C[5,6])(CH3)2{1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C(C[5]C[4,5]O[5]C)(H)3	O[5](C[5,6]C[4,5,6]O[6]O)(C[5]C[4,5]CC){1|C<3>,1|H<1>,3|C<4>}	107.2853	2.032	4	107.2853	4.129	4	107.2853	4.129	4	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5,5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[4,5,5,6]-4:C[5]-4:	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(O[5]C[4,5,5,6])(CH3)2	C(C[5]C[5,5,6]O[5]C)(H)3	O[5](C[4,5,5,6]C[3x5,6]C[4,5,6]O[4])(C[5]C[5,5,6]CC)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(O[5]C[4,5,5,6])(CH3)2{1|Br<1>,1|O<2>,2|H<1>,3|C<4>}	C(C[5]C[5,5,6]O[5]C)(H)3	O[5](C[4,5,5,6]C[3x5,6]C[4,5,6]O[4])(C[5]C[5,5,6]CC){1|Br<1>,1|H<1>,1|O<2>,4|C<4>}	108.2245	0.614	2	108.2245	0.378	2	108.2245	0.378	2	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5,5]C[3x5,6]C[5]H)(O[5]C[5,5])(CCHH)(CH3)	C(C[5]C[5,5]O[5]C)(H)3	O[5](C[5,5]C[3x5,6]O[5]H)(C[5]C[5,5]CC)	C[5](C[5,5]C[3x5,6]C[5]H)(O[5]C[5,5])(CCHH)(CH3){1|O<2>,3|C<4>,3|H<1>}	C(C[5]C[5,5]O[5]C)(H)3	O[5](C[5,5]C[3x5,6]O[5]H)(C[5]C[5,5]CC){1|H<1>,4|C<4>}	108.4715	0.379	4	108.4715	0.143	4	108.0125	1.585	6	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5,5]C[3x5]C[5,6]H)(O[5]C[5,5])(CH3)2	C(C[5]C[5,5]O[5]C)(H)3	O[5](C[5,5]C[3x5]C[5]O)(C[5]C[5,5]CC)	C[5](C[5,5]C[3x5]C[5,6]H)(O[5]C[5,5])(CH3)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C(C[5]C[5,5]O[5]C)(H)3	O[5](C[5,5]C[3x5]C[5]O)(C[5]C[5,5]CC){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	107.0945	2.228	2	107.0945	4.964	2	108.0125	1.585	6	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(CH3)2	C(C[5]C[5,5]O[5]C)(H)3	O[5](C[5,6]C[5,5,6]C[6,6a]H)(C[5]C[5,5]CC)	C[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(CH3)2{1|C<3>,2|C<4>,4|H<1>}	C(C[5]C[5,5]O[5]C)(H)3	O[5](C[5,6]C[5,5,6]C[6,6a]H)(C[5]C[5,5]CC){2|C<3>,2|C<4>,2|H<1>}	108.4180	2.899	2	108.4180	8.405	2	108.4180	8.405	2	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]H)(O[5]C[5])(CCHH)(CH3)	C(C[5]C[5,5]O[5]C)(H)3	O[5](C[5]C[5,5]CC)(C[5]C[5,5]CO)	C[5](C[5,5]C[5,5]C[5,6]H)(O[5]C[5])(CCHH)(CH3){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,5]O[5]C)(H)3	O[5](C[5]C[5,5]CC)(C[5]C[5,5]CO){1|C<3>,1|C<4>,2|H<1>}	107.5080	0.000	1	107.5080	0.000	1	107.6214	3.140	7	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CH3)2	C(C[5]C[5,5]O[5]C)(H)3	O[5](C[5]C[5,5]CC)(C[5]C[5,5]CO)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CH3)2{1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5,5]O[5]C)(H)3	O[5](C[5]C[5,5]CC)(C[5]C[5,5]CO){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	106.8670	2.922	2	106.8670	8.537	2	107.6214	3.140	7	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CH3)2	C(C[5]C[5,5]O[5]C)(H)3	O[5](C[5]C[5,5]CC)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(CH3)2{1|O<2>,2|C<4>,4|H<1>}	C(C[5]C[5,5]O[5]C)(H)3	O[5](C[5]C[5,5]CC)(C[5]C[5,5]HO){2|C<4>,2|H<1>}	107.2090	0.687	2	107.2090	0.472	2	107.6214	3.140	7	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(O[5]C[5])(CH3)2	C(C[5]C[5,5]O[5]C)(H)3	O[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)	C[5](C[5,5]C[5,5]C[5]O)(O[5]C[5])(CH3)2{1|C<4>,2|H<1>,3|C<3>}	C(C[5]C[5,5]O[5]C)(H)3	O[5](C[5]C[5,5]CC)(C[5]C[5,5]HH){1|C<4>,1|O<2>,2|C<3>}	108.8450	2.312	2	108.8450	5.346	2	107.6214	3.140	7	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5,6,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5,3x6]-4:C[5]-4:	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(O[5]C[5,5,3x6])(CH3)2	C(C[5]C[5,6,6]O[5]C)(H)3	O[5](C[5,5,3x6]C[5,5,3x6]C[5,4x6]C[5,6])(C[5]C[5,6,6]CC)	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(O[5]C[5,5,3x6])(CH3)2{1|O<2>,2|H<1>,4|C<4>}	C(C[5]C[5,6,6]O[5]C)(H)3	O[5](C[5,5,3x6]C[5,5,3x6]C[5,4x6]C[5,6])(C[5]C[5,6,6]CC){3|H<1>,3|O<2>,4|C<4>}	107.8755	1.747	2	107.8755	3.053	2	107.8755	3.053	2	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5,6,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]C[5,6,6])(CH3)2	C(C[5]C[5,6,6]O[5]C)(H)3	O[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]CC)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(O[5]C[5,6,6])(CH3)2{2|C<3>,2|C<4>,3|H<1>}	C(C[5]C[5,6,6]O[5]C)(H)3	O[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]CC){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	107.3835	0.646	2	107.3835	0.417	2	107.4408	0.234	19	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5,6,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(O[5]C[5,6,6])(CH3)2	C(C[5]C[5,6,6]O[5]C)(H)3	O[5](C[5,6,6]C[5,4x6]C[6,6]C)(C[5]C[5,6,6]CC)	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(O[5]C[5,6,6])(CH3)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[5]C[5,6,6]O[5]C)(H)3	O[5](C[5,6,6]C[5,4x6]C[6,6]C)(C[5]C[5,6,6]CC){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	107.3752	0.404	9	107.4475	0.236	17	107.4408	0.234	19	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5,6,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(O[5]C[5,6,6])(CH3)2	C(C[5]C[5,6,6]O[5]C)(H)3	O[5](C[5,6,6]C[5,4x6]C[6,6]C)(C[5]C[5,6,6]CC)	C[5](C[5,6,6]C[5,4x6]C[6,6]H)(O[5]C[5,6,6])(CH3)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,6,6]O[5]C)(H)3	O[5](C[5,6,6]C[5,4x6]C[6,6]C)(C[5]C[5,6,6]CC){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	107.5289	0.583	8	107.4475	0.236	17	107.4408	0.234	19	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:Br-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CBrHH)(CH3)	C(C[5]C[5,6]O[5]C)(Br)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CC)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CBrHH)(CH3){2|C<3>,5|H<1>}	C(C[5]C[5,6]O[5]C)(Br)(H)2	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CC){1|C<4>,2|C<3>,3|H<1>}	103.5680	0.000	1	103.5680	0.000	1	103.5680	0.000	1	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(CH3)2	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]CC)	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(CH3)2{1|O<2>,3|C<4>,3|H<1>}	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5,6]CC){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	108.3694	2.178	14	108.3694	4.746	14	108.2365	4.248	16	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,5])(CH3)2	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6]CC)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,5])(CH3)2{3|H<1>,4|C<3>}	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6]CC){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	107.3065	0.227	2	107.3065	0.052	2	108.2365	4.248	16	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5](C[5,6]C[3,6]C[5,6]H)(O[5]C[5,6,6])(CH3)2	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]CC)	C[5](C[5,6]C[3,6]C[5,6]H)(O[5]C[5,6,6])(CH3)2{2|H<1>,2|O<2>,3|C<4>}	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5]C[5,6]CC){2|H<1>,2|O<2>,6|C<4>}	108.7045	1.669	2	108.7045	2.787	2	108.7486	0.688	51	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5,6,6]C[5,3x6]C[5,6]C[6])(C[5]C[5,6]CC)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2{1|O<2>,3|C<4>,3|H<1>}	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5,6,6]C[5,3x6]C[5,6]C[6])(C[5]C[5,6]CC){2|H<1>,2|O<2>,6|C<4>}	108.1015	0.564	6	108.1015	0.318	6	108.7486	0.688	51	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CC)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2{2|H<1>,2|O<2>,3|C<4>}	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CC){1|O<2>,3|H<1>,6|C<4>}	108.9931	0.412	12	108.8278	0.687	28	108.7486	0.688	51	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CC)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2{2|H<1>,2|O<2>,3|C<4>}	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CC){2|H<1>,2|O<2>,6|C<4>}	108.6803	1.300	8	108.8278	0.687	28	108.7486	0.688	51	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CC)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2{3|C<4>,4|H<1>}	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CC){1|O<2>,3|H<1>,6|C<4>}	108.5738	0.843	6	108.8278	0.687	28	108.7486	0.688	51	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CC)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2{3|C<4>,4|H<1>}	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CC){4|H<1>,6|C<4>}	109.1880	0.399	2	108.8278	0.687	28	108.7486	0.688	51	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CHHO)(CH3)	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5,6,6]C[3x6]C[5,6]C[6])(C[5]C[5,6]CC)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CHHO)(CH3){1|O<2>,3|C<4>,3|H<1>}	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5,6,6]C[3x6]C[5,6]C[6])(C[5]C[5,6]CC){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	108.8080	0.000	1	108.8080	0.000	1	108.7486	0.688	51	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CHHO)(CH3)	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5,6,6]C[5,3x6]C[5,6]2)(C[5]C[5,6]CC)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CHHO)(CH3){1|O<2>,3|C<4>,3|H<1>}	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5,6,6]C[5,3x6]C[5,6]2)(C[5]C[5,6]CC){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	109.2130	0.259	2	109.2130	0.067	2	108.7486	0.688	51	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5,6,6]C[6,6]N[6,6]O[5,6])(C[5]C[5,6]CC)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5,6,6]C[6,6]N[6,6]O[5,6])(C[5]C[5,6]CC){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	108.0085	1.305	2	108.0085	1.702	2	108.7486	0.688	51	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]CC)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2{1|C<4>,1|O<1>,2|C<3>}	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]CC){2|C<3>,2|C<4>,3|H<1>}	108.8002	0.596	6	108.9732	0.550	10	108.7486	0.688	51	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]CC)	C[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6,6])(CH3)2{2|H<1>,3|C<4>}	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5,6,6]C[6,6]O[5,6]C[6])(C[5]C[5,6]CC){3|H<1>,5|C<4>}	109.2328	0.953	4	108.9732	0.550	10	108.7486	0.688	51	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(CH3)2	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CC)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(CH3)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CC){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	106.9870	2.106	2	107.8360	1.450	8	108.1372	0.790	24	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(CH3)2	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CC)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(CH3)2{1|C<3>,3|C<4>,3|H<1>}	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CC){1|C<3>,3|C<4>,3|H<1>}	108.2595	1.545	2	107.8360	1.450	8	108.1372	0.790	24	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(CH3)2	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CC)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(CH3)2{3|H<1>,4|C<4>}	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CC){1|C<3>,3|C<4>,3|H<1>}	108.0487	0.669	4	107.8360	1.450	8	108.1372	0.790	24	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)(CH3)	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)(CH3){3|C<4>,4|H<1>}	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC){1|C<3>,2|C<4>,4|H<1>}	108.3590	0.190	2	108.3590	0.036	2	108.1372	0.790	24	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CH3)2	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CH3)2{1|C<3>,2|C<4>,4|H<1>}	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC){1|C<3>,2|C<4>,4|H<1>}	108.1355	0.122	2	108.4467	0.122	8	108.1372	0.790	24	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CH3)2	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CH3)2{3|C<4>,4|H<1>}	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC){1|C<3>,2|C<4>,4|H<1>}	108.5505	0.341	6	108.4467	0.122	8	108.1372	0.790	24	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CBrHH)(CH3)	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CC)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CBrHH)(CH3){2|C<3>,5|H<1>}	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]CC){1|C<4>,2|C<3>,3|H<1>}	106.9890	0.000	1	106.9890	0.000	1	108.1372	0.790	24	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CH3)2	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5,6]C[5,6]O[6]C)(C[5]C[5,6]CC)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CH3)2{2|H<1>,2|O<2>,3|C<4>}	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5,6]C[5,6]O[6]C)(C[5]C[5,6]CC){1|H<1>,1|O<2>,3|C<4>}	107.8385	1.872	2	107.8385	3.503	2	108.1372	0.790	24	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CHHO)(CH3)	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6]CC)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CHHO)(CH3){1|C<2>,1|O<2>,2|C<4>,3|H<1>}	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6]CC){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	108.5220	0.000	1	108.5220	0.000	1	108.1372	0.790	24	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CHHO)(CH3)	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5,6]C[5,6]2C)(C[5]C[5,6]CC)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CHHO)(CH3){1|C<2>,1|O<2>,2|C<4>,3|H<1>}	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5,6]C[5,6]2C)(C[5]C[5,6]CC){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	108.6740	0.000	1	108.6740	0.000	1	108.1372	0.790	24	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CHHO)(CH3)	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CHHO)(CH3){1|C<2>,1|O<2>,2|C<3>,3|H<1>}	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	108.4500	0.000	1	108.4500	0.000	1	108.1372	0.790	24	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6]C[3,6]C[5,6]H)(O[5]C[5])(CC[5]HO)(CH3)	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)	C[5](C[5,6]C[3,6]C[5,6]H)(O[5]C[5])(CC[5]HO)(CH3){3|H<1>,4|C<4>}	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5]C[5,6]CC)(C[5]C[5,6]HH){1|H<1>,3|C<4>}	108.2510	0.000	1	108.2510	0.000	1	107.2694	1.886	11	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[5]HO)(CH3)	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[5]HO)(CH3){1|C<3>,3|C<4>,3|H<1>}	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5]C[5,6]CC)(C[5]C[5,6]HH){1|H<1>,3|C<4>}	105.8640	0.824	2	106.2410	0.451	4	107.2694	1.886	11	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[5]HO)(CH3)	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[5]HO)(CH3){2|C<3>,2|C<4>,3|H<1>}	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5]C[5,6]CC)(C[5]C[5,6]HH){1|H<1>,3|C<4>}	106.6180	0.325	2	106.2410	0.451	4	107.2694	1.886	11	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)2	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5]C[5,6]CC)(C[5]C[5,6]CO)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5]C[5,6]CC)(C[5]C[5,6]CO){2|C<4>,2|H<1>}	107.9480	0.031	2	107.9480	0.001	2	107.2694	1.886	11	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)2	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5]C[5,6]CC)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)2{1|C<3>,2|H<1>,3|C<4>}	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5]C[5,6]CC)2{1|C<3>,1|C<4>,2|H<1>}	108.5260	1.959	2	107.7130	3.533	4	107.2694	1.886	11	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)2	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5]C[5,6]CC)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)2{2|C<3>,2|H<1>,3|C<4>}	C(C[5]C[5,6]O[5]C)(H)3	O[5](C[5]C[5,6]CC)2{1|C<3>,1|C<4>,2|H<1>}	106.9000	2.029	2	107.7130	3.533	4	107.2694	1.886	11	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:Br-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CBrHH)(CHHN)	C(C[5]C[5]O[5]C)(Br)(H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)	C[5](C[5]C[5]HH)(O[5]C[5])(CBrHH)(CHHN){1|H<1>,3|C<3>}	C(C[5]C[5]O[5]C)(Br)(H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){2|H<1>,4|C<3>}	105.4230	3.779	2	105.4230	14.279	2	105.4230	14.279	2	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	B[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]B[5])(CF3)2	C(C[5]C[5]O[5]C)(F)3	O[5](B[5]C[6a]2C[5])(C[5]C[5]CC)	C[5](C[5]C[5]HH)(O[5]B[5])(CF3)2{1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5]O[5]C)(F)3	O[5](B[5]C[6a]2C[5])(C[5]C[5]CC){1|C<4>,3|H<1>,4|C<3>}	108.0390	0.144	2	108.0390	0.021	2	108.0267	6.065	4	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	B[5]-4:C[5]-4:	C[5](C[5]P[5]HH)(O[5]B[5])(CF3)2	C(C[5]C[5]O[5]C)(F)3	O[5](B[5]C[6a]2P[5])(C[5]C[5]CC)	C[5](C[5]P[5]HH)(O[5]B[5])(CF3)2{2|C<3>,2|C<4>}	C(C[5]C[5]O[5]C)(F)3	O[5](B[5]C[6a]2P[5])(C[5]C[5]CC){2|C<4>,2|H<1>,4|C<3>}	108.0145	4.263	2	108.0145	18.174	2	108.0267	6.065	4	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[3,5]-4:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[3,5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[3,5]Nb[3,6]N[3]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[3,5])(CH3)2{1|Nb<6>,1|N<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[3,5]Nb[3,6]N[3]O[5])(C[5]C[5]CC){1|H<1>,1|N<2>,2|N<3>,3|C<4>}	107.5853	1.122	4	107.5853	1.258	4	107.5853	1.258	4	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[3x5]-4:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[3x5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[3x5]C[5,5,6]N[3x5,6]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[3x5])(CH3)2{1|C<4>,1|N<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[3x5]C[5,5,6]N[3x5,6]O[5])(C[5]C[5]CC){1|C<3>,7|C<4>}	107.7747	0.707	4	107.7747	0.499	4	107.7747	0.499	4	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5,5]-4:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5,5]C[5,5,6]O[5]2)(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2{1|C<4>,1|O<2>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5,5]C[5,5,6]O[5]2)(C[5]C[5]CC){1|C<3>,1|H<1>,4|C<4>}	108.9188	0.764	4	108.9188	0.584	4	108.5401	0.483	71	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5,5]-4:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2{1|C<3>,1|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5,5]C[5,6a]C[5]O[5])(C[5]C[5]CC){1|N<4>,2|C<3>,2|C<4>,2|F<1>}	108.2535	0.624	4	108.2535	0.389	4	108.5401	0.483	71	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5,5]-4:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5,5]C[5,6a]N[5,5]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2{1|C<3>,1|N<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5,5]C[5,6a]N[5,5]O[5])(C[5]C[5]CC){1|H<1>,2|C<3>,4|C<4>}	108.6657	0.609	16	108.6657	0.371	16	108.5401	0.483	71	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5,5]-4:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5,5]C[5,6a]N[5]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2{1|C<3>,1|N<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5,5]C[5,6a]N[5]O[5])(C[5]C[5]CC){2|C<3>,5|C<4>}	107.9617	0.476	4	107.9617	0.227	4	108.5401	0.483	71	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5,5]-4:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5,5]C[5]N[5]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2{1|C<3>,1|N<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5,5]C[5]N[5]O[5])(C[5]C[5]CC){1|Mg<4>,1|N<2>,2|C<3>,2|C<4>}	108.3032	1.761	4	108.3032	3.102	4	108.5401	0.483	71	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5,5]-4:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5,5]C[5]O[5]2)(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2{1|C<3>,1|O<2>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5,5]C[5]O[5]2)(C[5]C[5]CC){2|C<4>,3|C<3>}	108.7262	0.773	4	108.5767	0.398	15	108.5401	0.483	71	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5,5]-4:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5,5]C[5]O[5]2)(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2{1|C<4>,1|O<2>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5,5]C[5]O[5]2)(C[5]C[5]CC){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	108.2440	0.695	4	108.5767	0.398	15	108.5401	0.483	71	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5,5]-4:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5,5]C[5]O[5]2)(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2{1|C<4>,1|O<2>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5,5]C[5]O[5]2)(C[5]C[5]CC){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	108.6814	0.536	7	108.5767	0.398	15	108.5401	0.483	71	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5,5]-4:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5,5]N[5,6]C[5]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2{1|C<4>,1|N<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5,5]N[5,6]C[5]O[5])(C[5]C[5]CC){2|B<3>,2|C<3>,3|C<4>}	108.1662	0.383	4	108.1662	0.147	4	108.5401	0.483	71	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5,5]-4:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5,5]N[5,6]O[5]2)(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2{1|N<3>,1|O<2>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5,5]N[5,6]O[5]2)(C[5]C[5]CC){2|C<3>,3|C<4>}	108.6168	0.552	16	108.6168	0.304	16	108.5401	0.483	71	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5,5]-4:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5,5]O[5]3)(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2{2|O<2>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5,5]O[5]3)(C[5]C[5]CC){1|C<3>,3|C<4>}	108.6907	0.654	4	108.6907	0.428	4	108.5401	0.483	71	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5,6]-4:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5,6])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5,6]C[6,6a]N[6,6]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5,6])(CH3)2{1|C<3>,1|N<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5,6]C[6,6a]N[6,6]O[5])(C[5]C[5]CC){2|C<4>,4|C<3>}	108.4342	0.272	4	108.4342	0.074	4	108.3504	0.194	16	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5,6]-4:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5,6])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5,6]C[6]O[5]O[6])(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5,6])(CH3)2{1|C<4>,1|O<2>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5,6]C[6]O[5]O[6])(C[5]C[5]CC){1|C<3>,1|N<4>,2|C<4>,2|F<1>}	108.5302	0.641	4	108.5302	0.411	4	108.3504	0.194	16	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5,6]-4:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5,6])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5,6]N[6]O[5]O[6])(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5,6])(CH3)2{1|N<3>,1|O<2>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5,6]N[6]O[5]O[6])(C[5]C[5]CC){1|C<3>,1|N<2>,1|P<3>,2|C<4>}	108.2185	0.408	8	108.2185	0.166	8	108.3504	0.194	16	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-4:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]B[5]C[5]O[5])(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|B<3>,1|C<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]B[5]C[5]O[5])(C[5]C[5]CC){2|C<4>,2|N<3>,2|O<2>}	108.8558	0.606	4	108.8558	0.368	4	108.5672	0.384	51	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-4:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[4]O[5]C)(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{2|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[4]O[5]C)(C[5]C[5]CC){5|C<4>}	108.8487	0.360	3	108.8487	0.129	3	108.5672	0.384	51	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-4:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[4]O[5]O)(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>,1|O<2>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[4]O[5]O)(C[5]C[5]CC){2|C<3>,2|C<4>}	109.0072	0.152	4	109.0072	0.023	4	108.5672	0.384	51	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-4:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[5]O[5]C)(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{2|C<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[5]O[5]C)(C[5]C[5]CC){2|C<4>,2|N<3>}	108.6397	0.448	4	108.6397	0.201	4	108.5672	0.384	51	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-4:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[5]O[5]F)(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>,1|F<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[5]O[5]F)(C[5]C[5]CC){2|C<4>,2|N<3>}	108.4650	0.384	4	108.4650	0.147	4	108.5672	0.384	51	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-4:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[5]O[5]H)(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>,1|H<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[5]O[5]H)(C[5]C[5]CC){1|C<3>,1|N<3>,2|C<4>}	108.4950	0.427	4	108.4950	0.182	4	108.5672	0.384	51	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-4:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[6]O[5]N)(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|C<3>,1|N<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]C[6]O[5]N)(C[5]C[5]CC){1|C<3>,1|N<3>,2|C<4>}	108.0583	0.767	4	108.0583	0.588	4	108.5672	0.384	51	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-4:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]N[6]2O[5])(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{2|N<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]N[6]2O[5])(C[5]C[5]CC){2|C<4>,4|C<3>}	108.3095	0.314	4	108.3095	0.099	4	108.5672	0.384	51	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-4:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]O[5]HN)(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|H<1>,1|N<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]O[5]HN)(C[5]C[5]CC){2|C<4>}	108.6492	0.165	4	108.6492	0.027	4	108.5672	0.384	51	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-4:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]O[5]OO)(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Co<6>,2|O<2>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]O[5]OO)(C[5]C[5]CC){1|Co<6>,2|C<4>}	108.5720	0.151	2	108.8135	0.236	8	108.5672	0.384	51	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-4:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]O[5]OO)(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Cu<4>,2|O<2>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]O[5]OO)(C[5]C[5]CC){1|Cu<4>,2|C<4>}	109.1995	0.760	2	108.8135	0.236	8	108.5672	0.384	51	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-4:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]O[5]OO)(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{2|O<2>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]O[5]OO)(C[5]C[5]CC){2|C<4>}	108.7413	0.452	4	108.8135	0.236	8	108.5672	0.384	51	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-4:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]O[5]RuC)(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Ru<8>,1|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]O[5]RuC)(C[5]C[5]CC){2|C<4>}	108.5157	1.486	4	108.5157	2.209	4	108.5672	0.384	51	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-4:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]O[5]RuH)(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Ru<7>,1|H<2>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]O[5]RuH)(C[5]C[5]CC){2|C<4>}	107.9730	0.602	4	107.9730	0.362	4	108.5672	0.384	51	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[3x5]-4:C[5]-4:	C[5](C[5]C[5,5]CH)(O[5]C[3x5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[3x5]C[5,5]2O[5])(C[5]C[5]CC)	C[5](C[5]C[5,5]CH)(O[5]C[3x5])(CH3)2{1|C<3>,1|C<4>,2|O<2>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[3x5]C[5,5]2O[5])(C[5]C[5]CC){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	107.5415	2.207	2	107.5415	4.870	2	107.5415	4.870	2	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,3x6]-4:C[5]-4:	C[5](C[5]C[5,6,6]CC)(O[5]C[5,3x6])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,3x6]C[5,6,6]2C[6,6])(C[5]C[5]CC)	C[5](C[5]C[5,6,6]CC)(O[5]C[5,3x6])(CH3)2{1|H<1>,3|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,3x6]C[5,6,6]2C[6,6])(C[5]C[5]CC){1|O<2>,4|H<1>,5|C<4>}	106.2475	0.088	2	106.2475	0.008	2	106.2475	0.008	2	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CH3)2{1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	107.9693	1.423	12	107.9693	2.026	12	107.7202	2.847	46	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CC)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CH3)2{2|C<4>,2|O<2>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CC){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	108.8193	2.446	4	108.8193	5.985	4	107.7202	2.847	46	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CHHO)(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CHHO)(CH3){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	109.1255	0.630	6	109.1255	0.396	6	107.7202	2.847	46	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]C[5]H)(O[5]C[5,5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)	C[5](C[5]C[5,5]C[5]H)(O[5]C[5,5])(CH3)2{2|H<1>,2|O<2>,3|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	107.9705	0.616	2	107.9705	0.379	2	107.7202	2.847	46	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]2H)(O[5]C[5,5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CC)	C[5](C[5]C[5]2H)(O[5]C[5,5])(CH3)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CC){3|C<4>,5|H<1>}	105.5555	3.310	2	106.2697	7.103	6	107.7202	2.847	46	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]2H)(O[5]C[5,5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CC)	C[5](C[5]C[5]2H)(O[5]C[5,5])(CH3)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CC){1|C<3>,2|C<4>,4|H<1>}	106.6268	2.771	4	106.2697	7.103	6	107.7202	2.847	46	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCHO)(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CC)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCHO)(CH3){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CC){4|C<4>,4|H<1>}	108.0890	0.000	1	108.0890	0.000	1	107.7202	2.847	46	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CC)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)2{1|C<3>,1|O<1>,1|O<2>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CC){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	107.8120	2.396	2	107.1305	1.691	8	107.7202	2.847	46	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CC)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CC){3|C<4>,5|H<1>}	106.9033	0.985	6	107.1305	1.691	8	107.7202	2.847	46	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CC)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(CH3){1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CC){1|C<4>,2|C<3>,4|H<1>}	107.5710	0.000	1	107.2875	0.161	2	107.7202	2.847	46	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CC)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(CH3){1|C<4>,1|H<1>,2|O<2>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CC){1|O<2>,3|C<4>,4|H<1>}	107.0040	0.000	1	107.2875	0.161	2	107.7202	2.847	46	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5,5])(CCHO)(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CC)	C[5](C[5]C[5]HO)(O[5]C[5,5])(CCHO)(CH3){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CC){1|O<2>,3|H<1>,4|C<4>}	106.1040	0.000	1	106.1040	0.000	1	107.7202	2.847	46	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]O[5]CC)(O[5]C[5,5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,5]O[5]3)(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]C[5,5])(CH3)2{2|O<2>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,5]O[5]3)(C[5]C[5]CC){2|C<3>,2|C<4>}	107.5242	0.765	4	107.5242	0.585	4	107.7202	2.847	46	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6,6])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5]C[5]CC)	C[5](C[5]C[5,6,6]HH)(O[5]C[5,6,6])(CH3)2{1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,6,6]C[5,6,6]C[6]O[6])(C[5]C[5]CC){2|C<3>,3|C<4>,3|H<1>}	106.7255	0.914	2	106.7255	0.836	2	106.7255	0.836	2	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,6])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]CC)	C[5](C[5]C[5]HH)(O[5]C[5,6])(CCHH)(CH3){2|C<4>,2|H<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]CC){1|C<3>,4|C<4>,5|H<1>}	108.9630	0.000	1	108.9630	0.000	1	108.4917	1.379	3	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5,6])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]CC)	C[5](C[5]C[5]HO)(O[5]C[5,6])(CH3)2{2|C<3>,2|H<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]CC){2|C<3>,2|O<2>,4|H<1>}	108.2560	1.557	2	108.2560	2.424	2	108.4917	1.379	3	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5,5]HH)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5,5]CH)(C[5]C[5]CC)	C[5](C[5]C[5,5]HH)(O[5]C[5])(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5,5]CH)(C[5]C[5]CC){1|C<3>,1|C<4>,2|H<1>}	108.3180	2.531	2	108.3180	6.408	2	108.2436	1.701	39	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]CH)(O[5]C[5])(CH3)2{1|H<1>,3|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]CH){1|H<1>,3|C<4>}	107.7765	1.411	4	107.7765	1.990	4	108.2436	1.701	39	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]2H)(C[5]C[5]CC)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(CH3){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]2H)(C[5]C[5]CC){1|O<2>,2|C<4>,4|H<1>}	107.6850	0.000	1	107.6850	0.000	1	108.2436	1.701	39	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(CH3){2|C<4>,2|H<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]CH){1|C<4>,3|H<1>}	108.1460	0.000	1	108.1460	0.000	1	108.2436	1.701	39	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(CH3){1|C<3>,1|H<1>,2|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)2{1|C<4>,3|H<1>}	107.2700	0.000	1	107.2700	0.000	1	108.2436	1.701	39	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]2H)(C[5]C[5]CC)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]2H)(C[5]C[5]CC){1|O<2>,2|C<4>,4|H<1>}	107.9343	0.030	3	107.9343	0.001	3	108.2436	1.701	39	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3){1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]CH){1|O<2>,3|H<1>}	107.3390	0.000	1	109.0457	3.201	3	108.2436	1.701	39	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3){1|C<3>,3|H<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]CH){4|H<1>}	108.8910	0.000	1	109.0457	3.201	3	108.2436	1.701	39	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]CH){4|H<1>}	110.9070	0.000	1	109.0457	3.201	3	108.2436	1.701	39	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]HH)(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]HH)(CH3){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]CH){1|O<1>,2|H<1>}	108.9630	0.745	2	108.9630	0.555	2	108.2436	1.701	39	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]HO)(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]HO)(CH3){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]CH){4|H<1>}	108.5840	0.000	1	108.5840	0.000	1	108.2436	1.701	39	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)2{1|C<4>,3|H<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]CH){4|H<1>}	108.2550	0.153	2	108.2550	0.023	2	108.2436	1.701	39	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)	C[5](C[5]C[5]HH)(O[5]C[5])(CH3)2{1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){1|O<2>,2|C<3>,3|H<1>}	107.6815	0.882	2	107.6815	0.778	2	108.2436	1.701	39	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)2{1|C<4>,3|H<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]CH){1|O<2>,3|H<1>}	108.0115	1.524	2	108.0115	2.322	2	108.2436	1.701	39	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(CH3){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]CH){1|C<4>,1|H<1>,2|O<2>}	109.0320	0.000	1	109.0320	0.000	1	108.2436	1.701	39	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CC)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(CH3){1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CC){2|C<3>,2|H<1>,2|O<2>}	107.6990	0.000	1	107.6990	0.000	1	108.2436	1.701	39	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[5]HH)(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]HH)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[5]HH)(CH3){2|C<3>,4|H<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]HH){1|C<3>,3|H<1>}	107.0310	0.000	1	107.0310	0.000	1	108.2436	1.701	39	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]N[5]CC)	C[5](C[5]N[5]CH)(O[5]C[5])(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]N[5]CC){1|C<3>,1|C<4>,1|H<1>}	109.1695	2.636	4	109.1695	6.946	4	108.2436	1.701	39	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CC)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]C[5])(CH3)2{1|C<3>,1|H<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC){2|C<3>,2|C<4>}	108.1089	1.142	8	108.1089	1.303	8	108.2436	1.701	39	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:P[5]-4:	C[5](C[5]O[5]CC)(O[5]P[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(P[5]O[5]HO)	C[5](C[5]O[5]CC)(O[5]P[5])(CH3)2{1|H<1>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(P[5]O[5]HO){2|C<4>}	107.4102	0.650	4	107.4102	0.422	4	107.2880	0.841	8	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:P[5]-4:	C[5](C[5]O[5]CC)(O[5]P[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(P[5]O[5]OO)	C[5](C[5]O[5]CC)(O[5]P[5])(CH3)2{1|O<1>,1|O<2>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(P[5]O[5]OO){2|C<4>}	107.1658	1.225	4	107.1658	1.501	4	107.2880	0.841	8	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	P[5]-4:C[5]-4:	C[5](C[5]O[5]CC)(O[5]P[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](P[5]O[5]PdO)(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]P[5])(CH3)2{1|Pd<4>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](P[5]O[5]PdO)(C[5]C[5]CC){2|C<4>}	107.5138	0.572	8	107.1511	0.591	12	107.0464	0.505	16	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	P[5]-4:C[5]-4:	C[5](C[5]O[5]CC)(O[5]P[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](P[5]O[5]PdO)(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]P[5])(CH3)2{1|Pd<4>,1|O<2>}	C(C[5]C[5]O[5]C)(H)3	O[5](P[5]O[5]PdO)(C[5]C[5]CC){2|C<4>}	106.4257	0.594	4	107.1511	0.591	12	107.0464	0.505	16	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	P[5]-4:C[5]-4:	C[5](C[5]O[5]CC)(O[5]P[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](P[5]O[5]ReO)(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]P[5])(CH3)2{1|Re<6>,1|O<2>}	C(C[5]C[5]O[5]C)(H)3	O[5](P[5]O[5]ReO)(C[5]C[5]CC){2|C<4>}	106.7325	0.429	4	106.7325	0.184	4	107.0464	0.505	16	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	Si[5]-4:C[5]-4:	C[5](C[5]O[5]CC)(O[5]Si[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](Si[5]C[6a]O[5]C)(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]Si[5])(CH3)2{1|C<3>,1|C<4>}	C(C[5]C[5]O[5]C)(H)3	O[5](Si[5]C[6a]O[5]C)(C[5]C[5]CC){2|C<3>,2|C<4>}	107.5952	0.268	4	107.5952	0.072	4	107.5952	0.072	4	108.1246	1.552	421	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	5:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5,5]-5:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5,5]C[5]N[5]O[5]Mg)(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2{1|Mg<5>,1|C<3>,1|N<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5,5]C[5]N[5]O[5]Mg)(C[5]C[5]CC){1|N<2>,2|C<3>,2|C<4>}	108.8300	0.950	2	108.8300	0.903	2	108.7631	0.213	12	108.4955	0.664	20	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	5:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5,5]-5:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5,5]O[5]3Mg)(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5,5])(CH3)2{1|Mg<5>,1|O<2>,1|O<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5,5]O[5]3Mg)(C[5]C[5]CC){4|C<4>}	108.7497	0.398	10	108.7497	0.159	10	108.7631	0.213	12	108.4955	0.664	20	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	5:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-5:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]O[5]MgHH)(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Mg<6>,2|H<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]O[5]MgHH)(C[5]C[5]CC){2|C<4>}	108.0740	2.097	2	108.0740	4.399	2	108.3610	1.119	6	108.4955	0.664	20	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	5:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-5:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]O[5]MgHN)(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Mg<5>,1|H<1>,1|N<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]O[5]MgHN)(C[5]C[5]CC){2|C<4>}	108.4785	0.530	2	108.4785	0.281	2	108.3610	1.119	6	108.4955	0.664	20	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	5:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-5:C[5]-4:	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]O[5]MgOO)(C[5]C[5]CC)	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)2{1|Mg<5>,1|O<2>,1|O<3>}	C(C[5]C[5]O[5]C)(H)3	O[5](B[5]O[5]MgOO)(C[5]C[5]CC){2|C<4>}	108.5305	0.817	2	108.5305	0.667	2	108.3610	1.119	6	108.4955	0.664	20	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:1:1:1:	5:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	Ge[3x5]-5:C[5]-4:	C[5](C[5]N[3x5]HH)(O[5]Ge[3x5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	O[5](Ge[3x5]N[3x5]O[5]2Br)(C[5]C[5]CC)	C[5](C[5]N[3x5]HH)(O[5]Ge[3x5])(CH3)2{1|Br<1>,2|C<4>,2|O<2>}	C(C[5]C[5]O[5]C)(H)3	O[5](Ge[3x5]N[3x5]O[5]2Br)(C[5]C[5]CC){2|H<1>,4|C<4>}	107.2930	0.909	2	107.2930	0.827	2	107.2930	0.827	2	108.4955	0.664	20	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:2:1:1:	4:2:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:	C[5](C[5]C[5]HH)(O[5]O[5])(CHHO)(CH3)	C(C[5]C[5]O[5]C)(OC)(H)2	O[5](C[5]C[5]CC)(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]O[5])(CHHO)(CH3){2|C<4>}	C(C[5]C[5]O[5]C)(OC)(H)2	O[5](C[5]C[5]CC)(O[5]C[5]){2|C<4>,2|H<1>}	110.1410	0.000	1	110.1410	0.000	1	106.5628	11.279	5	106.5628	11.279	5	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:2:1:1:	4:2:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:	C[5](C[5]C[5]HH)(O[5]O[5])(CHHO)(CH3)	C(C[5]C[5]O[5]C)(OH)(H)2	O[5](C[5]C[5]CC)(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]O[5])(CHHO)(CH3){1|C<3>,1|O<2>}	C(C[5]C[5]O[5]C)(OH)(H)2	O[5](C[5]C[5]CC)(O[5]C[5]){1|C<3>,1|O<2>,2|H<1>}	103.8345	0.117	2	105.6683	9.704	4	106.5628	11.279	5	106.5628	11.279	5	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:2:1:1:	4:2:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:	C[5](C[5]C[5]HH)(O[5]O[5])(CHHO)(CH3)	C(C[5]C[5]O[5]C)(OH)(H)2	O[5](C[5]C[5]CC)(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]O[5])(CHHO)(CH3){1|C<4>,1|O<2>}	C(C[5]C[5]O[5]C)(OH)(H)2	O[5](C[5]C[5]CC)(O[5]C[5]){1|C<4>,1|O<2>,2|H<1>}	107.5020	3.956	2	105.6683	9.704	4	106.5628	11.279	5	106.5628	11.279	5	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:2:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CHHO)(CH3)	C(C[5]C[5,6]O[5]C)(OC)(H)2	O[5](C[5,6,6]C[3x6]C[5,6]C[6])(C[5]C[5,6]CC)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CHHO)(CH3){1|O<2>,3|C<4>,3|H<1>}	C(C[5]C[5,6]O[5]C)(OC)(H)2	O[5](C[5,6,6]C[3x6]C[5,6]C[6])(C[5]C[5,6]CC){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	108.7920	0.000	1	108.7920	0.000	1	106.6753	3.405	3	106.9490	4.458	31	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:2:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5,6,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CHHO)(CH3)	C(C[5]C[5,6]O[5]C)(OC)(H)2	O[5](C[5,6,6]C[5,3x6]C[5,6]2)(C[5]C[5,6]CC)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6,6])(CHHO)(CH3){1|O<2>,3|C<4>,3|H<1>}	C(C[5]C[5,6]O[5]C)(OC)(H)2	O[5](C[5,6,6]C[5,3x6]C[5,6]2)(C[5]C[5,6]CC){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	105.6170	0.298	2	105.6170	0.089	2	106.6753	3.405	3	106.9490	4.458	31	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:2:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)(CHHO)	C(C[5]C[5,6]O[5]C)(OC)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)(CHHO){3|C<4>,4|H<1>}	C(C[5]C[5,6]O[5]C)(OC)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC){1|C<3>,2|C<4>,4|H<1>}	104.2470	0.000	1	104.2470	0.000	1	105.1052	0.802	4	106.9490	4.458	31	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:2:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CHHO)(CH3)	C(C[5]C[5,6]O[5]C)(OC)(H)2	O[5](C[5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6]CC)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CHHO)(CH3){1|C<2>,1|O<2>,2|C<4>,3|H<1>}	C(C[5]C[5,6]O[5]C)(OC)(H)2	O[5](C[5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6]CC){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	104.9380	0.000	1	104.9380	0.000	1	105.1052	0.802	4	106.9490	4.458	31	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:2:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CHHO)(CH3)	C(C[5]C[5,6]O[5]C)(OC)(H)2	O[5](C[5,6]C[5,6]2C)(C[5]C[5,6]CC)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CHHO)(CH3){1|C<2>,1|O<2>,2|C<4>,3|H<1>}	C(C[5]C[5,6]O[5]C)(OC)(H)2	O[5](C[5,6]C[5,6]2C)(C[5]C[5,6]CC){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	104.8710	0.000	1	104.8710	0.000	1	105.1052	0.802	4	106.9490	4.458	31	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:2:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CHHO)(CH3)	C(C[5]C[5,6]O[5]C)(OH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(CHHO)(CH3){1|C<2>,1|O<2>,2|C<3>,3|H<1>}	C(C[5]C[5,6]O[5]C)(OH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	106.3650	0.000	1	106.3650	0.000	1	105.1052	0.802	4	106.9490	4.458	31	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CHHO)(CH3)	C(C[5]C[5]O[5]C)(OH)(H)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(CHHO)(CH3){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]O[5]C)(OH)(H)2	O[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	105.8755	0.592	6	105.8755	0.351	6	106.8930	6.471	14	106.9490	4.458	31	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHO)2	C(C[5]C[5]O[5]C)(OC)(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CC)	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHO)2{2|H<1>,2|O<2>}	C(C[5]C[5]O[5]C)(OC)(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CC){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	104.4577	1.470	3	104.4577	2.160	3	106.8930	6.471	14	106.9490	4.458	31	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHO)2	C(C[5]C[5]O[5]C)(OS)(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CC)	C[5](C[5]C[5,5]HN)(O[5]C[5,5])(CHHO)2{2|H<1>,2|O<2>}	C(C[5]C[5]O[5]C)(OS)(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]CC){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	111.1133	0.226	3	111.1133	0.051	3	106.8930	6.471	14	106.9490	4.458	31	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(CH3)	C(C[5]C[5]O[5]C)(OC)(H)2	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CC)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(CH3){1|C<4>,1|H<1>,2|O<2>}	C(C[5]C[5]O[5]C)(OC)(H)2	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CC){1|O<2>,3|C<4>,4|H<1>}	107.6050	0.000	1	107.6050	0.000	1	106.8930	6.471	14	106.9490	4.458	31	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(CH3)	C(C[5]C[5]O[5]C)(OSi)(H)2	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CC)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CHHO)(CH3){1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]C)(OSi)(H)2	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CC){1|C<4>,2|C<3>,4|H<1>}	106.9310	0.000	1	106.9310	0.000	1	106.8930	6.471	14	106.9490	4.458	31	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,6])(CCHH)(CHHO)	C(C[5]C[5]O[5]C)(OH)(H)2	O[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]CC)	C[5](C[5]C[5]HH)(O[5]C[5,6])(CCHH)(CHHO){2|C<4>,2|H<1>}	C(C[5]C[5]O[5]C)(OH)(H)2	O[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]CC){5|C<4>,5|H<1>}	107.4920	0.000	1	107.4920	0.000	1	107.4920	0.000	1	106.9490	4.458	31	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CO)(O[5]C[5])(CHHO)2	C(C[5]C[5]O[5]C)(OH)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CC)	C[5](C[5]C[5]CO)(O[5]C[5])(CHHO)2{1|N<3>,3|H<1>}	C(C[5]C[5]O[5]C)(OH)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	107.6735	3.143	2	107.6735	9.879	2	107.8863	2.292	9	106.9490	4.458	31	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CO)(O[5]C[5])(CHHO)2	C(C[5]C[5]O[5]C)(OS)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CC)	C[5](C[5]C[5]CO)(O[5]C[5])(CHHO)2{1|N<3>,3|H<1>}	C(C[5]C[5]O[5]C)(OS)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	107.3755	0.165	2	107.3755	0.027	2	107.8863	2.292	9	106.9490	4.458	31	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(CH3)	C(C[5]C[5]O[5]C)(OH)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CC)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(CH3){1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]C)(OH)(H)2	O[5](C[5]N[6a]C[5]H)(C[5]C[5]CC){2|C<3>,2|H<1>,2|O<2>}	107.4280	0.000	1	107.4280	0.000	1	107.8863	2.292	9	106.9490	4.458	31	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(CH3)	C(C[5]C[5]O[5]C)(OSi)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(CH3){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]O[5]C)(OSi)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]CH){1|C<4>,1|H<1>,2|O<2>}	106.1660	0.000	1	106.1660	0.000	1	107.8863	2.292	9	106.9490	4.458	31	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(CHHO)	C(C[5]C[5]O[5]C)(OH)(H)2	O[5](C[5]C[5]CC)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(CHHO){2|C<4>}	C(C[5]C[5]O[5]C)(OH)(H)2	O[5](C[5]C[5]CC)(C[5]O[5]CC){1|C<4>,1|H<1>}	109.4730	0.000	1	109.4730	0.000	1	107.8863	2.292	9	106.9490	4.458	31	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:2:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(CHHO)	C(C[5]C[5]O[5]C)(OH)(H)2	O[5](C[5]C[5]CC)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(CHHO){2|C<4>}	C(C[5]C[5]O[5]C)(OH)(H)2	O[5](C[5]C[5]CC)(C[5]O[5]CC){2|H<1>}	108.9060	0.223	2	108.9060	0.050	2	107.8863	2.292	9	106.9490	4.458	31	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:2:4:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:O-2:C-4:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCHO)(CH3)	C(C[5]C[5]O[5]C)(OC[6])(CCCH)(H)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CC)	C[5](C[5]C[5]HH)(O[5]C[5,5])(CCHO)(CH3){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]O[5]C)(OC[6])(CCCH)(H)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CC){4|C<4>,4|H<1>}	107.4510	0.000	1	107.4510	0.000	1	107.4510	0.000	1	107.4510	0.000	1	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:3:1:1:	4:2:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:O[5]-2:	C[5](C[5]C[5,6]HH)(O[5]O[5])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(COS)(H)2	O[5](C[5]C[5]CC)(O[5]C[5,6])	C[5](C[5]C[5,6]HH)(O[5]O[5])(CCHH)(CH3){2|C<4>}	C(C[5]C[5]O[5]C)(COS)(H)2	O[5](C[5]C[5]CC)(O[5]C[5,6]){2|C<4>,2|H<1>}	102.7080	0.000	1	102.7080	0.000	1	105.5810	16.508	2	105.5810	16.508	2	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:3:1:1:	4:2:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:O[5]-2:	C[5](C[5]C[5]HH)(O[5]O[5])(CCHH)2	C(C[5]C[5]O[5]C)(COO)(H)2	O[5](C[5]C[5]CC)(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]O[5])(CCHH)2{2|C<4>}	C(C[5]C[5]O[5]C)(COO)(H)2	O[5](C[5]C[5]CC)(O[5]C[5]){2|C<4>,2|H<1>}	108.4540	0.000	1	108.4540	0.000	1	105.5810	16.508	2	105.5810	16.508	2	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:3:1:1:	4:4:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(CCHH)2	C(C[5]C[5,5]O[5]C)(COO)(H)2	O[5](C[5]C[5,5]CC)(C[5]C[5]HH)	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(CCHH)2{1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C(C[5]C[5,5]O[5]C)(COO)(H)2	O[5](C[5]C[5,5]CC)(C[5]C[5]HH){2|C<3>,2|H<1>}	109.9750	0.000	1	109.9750	0.000	1	109.9750	0.000	1	109.2764	0.523	5	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:3:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCCH)(CCHH)	C(C[5]C[5]O[5]C)(CCH)(H)2	O[5](C[5]C[5]2C)(C[5]C[5]CC)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCH)(CCHH){2|C<4>,2|H<1>}	C(C[5]C[5]O[5]C)(CCH)(H)2	O[5](C[5]C[5]2C)(C[5]C[5]CC){1|C<4>,1|O<2>,5|H<1>}	108.2010	0.000	1	108.2010	0.000	1	108.7265	0.552	2	109.2764	0.523	5	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:3:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(COO)(H)2	O[5](C[5]C[5]CC)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(CH3){1|C<3>,1|H<1>,2|C<4>}	C(C[5]C[5]O[5]C)(COO)(H)2	O[5](C[5]C[5]CC)2{1|C<4>,3|H<1>}	109.2520	0.000	1	109.2520	0.000	1	108.7265	0.552	2	109.2764	0.523	5	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:3:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CBrHH)(CHHN)	C(C[5]C[5]O[5]C)(NC[6a]H)(H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)	C[5](C[5]C[5]HH)(O[5]C[5])(CBrHH)(CHHN){1|H<1>,3|C<3>}	C(C[5]C[5]O[5]C)(NC[6a]H)(H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){2|H<1>,4|C<3>}	109.4770	0.607	2	109.4770	0.368	2	109.4770	0.368	2	109.2764	0.523	5	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:3:2:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-3:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3)	C(C[5]C[5]O[5]C)(COO)(OH)(H)	O[5](C[5]C[5]2H)(C[5]C[5]CC)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]C)(COO)(OH)(H)	O[5](C[5]C[5]2H)(C[5]C[5]CC){1|O<2>,2|C<4>,4|H<1>}	107.5637	1.184	3	107.5637	1.401	3	107.5637	1.401	3	107.5637	1.401	3	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:1:1:	4:2:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:	C[5](C[5]C[5]HH)(O[5]O[5])(CCHH)2	C(C[5]C[5]O[5]C)(CC[6a]HH)(H)2	O[5](C[5]C[5]CC)(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]O[5])(CCHH)2{2|C<4>}	C(C[5]C[5]O[5]C)(CC[6a]HH)(H)2	O[5](C[5]C[5]CC)(O[5]C[5]){2|C<4>,2|H<1>}	104.4690	0.000	1	104.4690	0.000	1	104.4690	0.000	1	104.4690	0.000	1	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:1:1:	4:4:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5,5]C[3x5,6]C[5]H)(O[5]C[5,5])(CCHH)(CH3)	C(C[5]C[5,5]O[5]C)(CCHH)(H)2	O[5](C[5,5]C[3x5,6]O[5]H)(C[5]C[5,5]CC)	C[5](C[5,5]C[3x5,6]C[5]H)(O[5]C[5,5])(CCHH)(CH3){1|O<2>,3|C<4>,3|H<1>}	C(C[5]C[5,5]O[5]C)(CCHH)(H)2	O[5](C[5,5]C[3x5,6]O[5]H)(C[5]C[5,5]CC){1|H<1>,4|C<4>}	106.1310	0.649	4	106.1310	0.422	4	106.1310	0.422	4	107.2980	2.713	46	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:1:1:	4:4:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5,6]H)(O[5]C[5])(CCHH)(CH3)	C(C[5]C[5,5]O[5]C)(CCCH)(H)2	O[5](C[5]C[5,5]CC)(C[5]C[5,5]CO)	C[5](C[5,5]C[5,5]C[5,6]H)(O[5]C[5])(CCHH)(CH3){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,5]O[5]C)(CCCH)(H)2	O[5](C[5]C[5,5]CC)(C[5]C[5,5]CO){1|C<3>,1|C<4>,2|H<1>}	109.9270	0.000	1	109.9270	0.000	1	107.6525	10.347	2	107.2980	2.713	46	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:1:1:	4:4:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(CCHH)2	C(C[5]C[5,5]O[5]C)(CH3)(H)2	O[5](C[5]C[5,5]CC)(C[5]C[5]HH)	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5])(CCHH)2{1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C(C[5]C[5,5]O[5]C)(CH3)(H)2	O[5](C[5]C[5,5]CC)(C[5]C[5]HH){2|C<3>,2|H<1>}	105.3780	0.000	1	105.3780	0.000	1	107.6525	10.347	2	107.2980	2.713	46	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)(CH3)	C(C[5]C[5,6]O[5]C)(CH3)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)(CH3){3|C<4>,4|H<1>}	C(C[5]C[5,6]O[5]C)(CH3)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC){1|C<3>,2|C<4>,4|H<1>}	108.8555	0.320	2	108.8555	0.103	2	107.1810	2.769	21	107.2980	2.713	46	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)(CHHO)	C(C[5]C[5,6]O[5]C)(CH3)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)(CHHO){3|C<4>,4|H<1>}	C(C[5]C[5,6]O[5]C)(CH3)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC){1|C<3>,2|C<4>,4|H<1>}	110.2090	0.000	1	110.2090	0.000	1	107.1810	2.769	21	107.2980	2.713	46	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)2	C(C[5]C[5,6]O[5]C)(CCHH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)2{3|C<4>,4|H<1>}	C(C[5]C[5,6]O[5]C)(CCHH)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC){1|C<3>,2|C<4>,4|H<1>}	106.7088	1.361	6	106.7088	1.852	6	107.1810	2.769	21	107.2980	2.713	46	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)2	C(C[5]C[5,6]O[5]C)(CH3)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)2{1|C<3>,2|C<4>,4|H<1>}	C(C[5]C[5,6]O[5]C)(CH3)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC){1|C<3>,2|C<4>,4|H<1>}	107.0835	0.805	2	106.8856	2.623	12	107.1810	2.769	21	107.2980	2.713	46	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:1:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)2	C(C[5]C[5,6]O[5]C)(CH3)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCHH)2{3|C<4>,4|H<1>}	C(C[5]C[5,6]O[5]C)(CH3)(H)2	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC){1|C<3>,2|C<4>,4|H<1>}	106.8460	1.767	10	106.8856	2.623	12	107.1810	2.769	21	107.2980	2.713	46	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]CO)(O[5]C[5,5])(CC[5,5]HH)(CCHH)	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]O[5]C)(H)2	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]CC)	C[5](C[5]C[5]CO)(O[5]C[5,5])(CC[5,5]HH)(CCHH){1|C<4>,1|O<1>,1|O<2>}	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]O[5]C)(H)2	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]CC){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	107.5750	0.000	1	107.5750	0.000	1	107.5750	0.000	1	107.2980	2.713	46	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5,6])(CC[5,5]HH)(CCHH)	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]O[5]C)(H)2	O[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]CC)	C[5](C[5]C[5]CH)(O[5]C[5,6])(CC[5,5]HH)(CCHH){1|C<4>,1|O<1>,1|O<2>}	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]O[5]C)(H)2	O[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]CC){1|O<1>,2|H<1>,4|C<4>}	106.5965	0.001	2	106.5965	0.000	2	106.5965	0.000	2	107.2980	2.713	46	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]C[6]H)(O[5]C[5,6])(CC[5,6]HH)(CCHH)	C(C[5,6]C[5,6]2O)(C[5]C[5]O[5]C)(H)2	O[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]CC)	C[5](C[5]C[5]C[6]H)(O[5]C[5,6])(CC[5,6]HH)(CCHH){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C(C[5,6]C[5,6]2O)(C[5]C[5]O[5]C)(H)2	O[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]CC){1|O<1>,2|H<1>,4|C<4>}	106.3690	0.000	1	106.3690	0.000	1	106.3690	0.000	1	107.2980	2.713	46	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5,5])(CCHH)(CCHO)	C(C[5]C[5]O[5]C)(CCCO)(H)2	O[5](C[5,5]C[5]3)(C[5]C[5]CC)	C[5](C[5]C[5]CH)(O[5]C[5,5])(CCHH)(CCHO){1|O<1>,2|C<4>}	C(C[5]C[5]O[5]C)(CCCO)(H)2	O[5](C[5,5]C[5]3)(C[5]C[5]CC){1|O<1>,4|C<4>,4|H<1>}	111.1570	1.779	2	111.1570	3.165	2	108.8270	7.600	5	107.2980	2.713	46	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5,5])(CCHH)2	C(C[5]C[5]O[5]C)(CCHH)(H)2	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]CC)	C[5](C[5]C[5]CH)(O[5]C[5,5])(CCHH)2{1|C<4>,1|H<1>,2|O<2>}	C(C[5]C[5]O[5]C)(CCHH)(H)2	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]CC){1|O<2>,3|H<1>,4|C<4>}	104.9270	0.000	1	104.9270	0.000	1	108.8270	7.600	5	107.2980	2.713	46	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5,5])(CCHH)2	C(C[5]C[5]O[5]C)(CC[5]HH)(H)2	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]CC)	C[5](C[5]C[5]CH)(O[5]C[5,5])(CCHH)2{1|C<4>,1|H<1>,2|O<2>}	C(C[5]C[5]O[5]C)(CC[5]HH)(H)2	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]CC){1|O<2>,3|H<1>,4|C<4>}	107.7840	0.000	1	107.7840	0.000	1	108.8270	7.600	5	107.2980	2.713	46	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]CO)(O[5]C[5,5])(CC[5,5]HH)(CCHH)	C(C[5]C[5]O[5]C)(CC[5]HH)(H)2	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]CC)	C[5](C[5]C[5]CO)(O[5]C[5,5])(CC[5,5]HH)(CCHH){1|C<4>,1|O<1>,1|O<2>}	C(C[5]C[5]O[5]C)(CC[5]HH)(H)2	O[5](C[5,5]C[5,5]C[5]O[5])(C[5]C[5]CC){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	109.1100	0.000	1	109.1100	0.000	1	108.8270	7.600	5	107.2980	2.713	46	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5,6])(CC[5,5]HH)(CCHH)	C(C[5]C[5]O[5]C)(CC[5]HH)(H)2	O[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]CC)	C[5](C[5]C[5]CH)(O[5]C[5,6])(CC[5,5]HH)(CCHH){1|C<4>,1|O<1>,1|O<2>}	C(C[5]C[5]O[5]C)(CC[5]HH)(H)2	O[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]CC){1|O<1>,2|H<1>,4|C<4>}	107.1550	0.171	2	107.1550	0.029	2	107.3390	0.290	5	107.2980	2.713	46	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]C[6]H)(O[5]C[5,6])(CC[5,6]HH)(CCHH)	C(C[5]C[5]O[5]C)(CC[5]HH)(H)2	O[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]CC)	C[5](C[5]C[5]C[6]H)(O[5]C[5,6])(CC[5,6]HH)(CCHH){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C(C[5]C[5]O[5]C)(CC[5]HH)(H)2	O[5](C[5,6]C[5,6]C[5]O[6])(C[5]C[5]CC){1|O<1>,2|H<1>,4|C<4>}	106.6390	0.000	1	106.6390	0.000	1	107.3390	0.290	5	107.2980	2.713	46	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,6])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(CHHO)(H)2	O[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]CC)	C[5](C[5]C[5]HH)(O[5]C[5,6])(CCHH)(CH3){2|C<4>,2|H<1>}	C(C[5]C[5]O[5]C)(CHHO)(H)2	O[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]CC){1|C<3>,4|C<4>,5|H<1>}	107.9040	0.000	1	107.9040	0.000	1	107.3390	0.290	5	107.2980	2.713	46	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5,6])(CCHH)(CHHO)	C(C[5]C[5]O[5]C)(CHHO)(H)2	O[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]CC)	C[5](C[5]C[5]HH)(O[5]C[5,6])(CCHH)(CHHO){2|C<4>,2|H<1>}	C(C[5]C[5]O[5]C)(CHHO)(H)2	O[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]CC){5|C<4>,5|H<1>}	107.8420	0.000	1	107.8420	0.000	1	107.3390	0.290	5	107.2980	2.713	46	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(CCHH)(H)2	O[5](C[5]C[5]2H)(C[5]C[5]CC)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(CH3){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]C)(CCHH)(H)2	O[5](C[5]C[5]2H)(C[5]C[5]CC){1|O<2>,2|C<4>,4|H<1>}	108.0070	0.000	1	108.0070	0.000	1	108.3150	0.190	2	107.2980	2.713	46	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(CC[6]HH)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHH)(CH3){2|C<4>,2|H<1>}	C(C[5]C[5]O[5]C)(CC[6]HH)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]CH){1|C<4>,3|H<1>}	108.6230	0.000	1	108.6230	0.000	1	108.3150	0.190	2	107.2980	2.713	46	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]HH)(CH3)	C(C[5]C[3,5]O[5]H)(C[5]C[5]O[5]C)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]HH)(CH3){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[3,5]O[5]H)(C[5]C[5]O[5]C)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]CH){1|O<1>,2|H<1>}	106.6180	0.000	1	106.6180	0.000	1	106.8277	0.495	3	107.2980	2.713	46	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]HH)(CH3)	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]HH)(CH3){1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]CH){1|O<1>,2|H<1>}	106.2530	0.000	1	106.2530	0.000	1	106.8277	0.495	3	107.2980	2.713	46	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:1:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[5]HH)(CH3)	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]C)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]HH)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC[5]HH)(CH3){2|C<3>,4|H<1>}	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]C)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]HH){1|C<3>,3|H<1>}	107.6120	0.000	1	107.6120	0.000	1	106.8277	0.495	3	107.2980	2.713	46	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:2:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6]C[3,6]C[5,6]H)(O[5]C[5])(CC[5]HO)(CH3)	C(C[5]C[5,6]O[5]C)(C[5]C[5]2O)(OC)(H)	O[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)	C[5](C[5,6]C[3,6]C[5,6]H)(O[5]C[5])(CC[5]HO)(CH3){3|H<1>,4|C<4>}	C(C[5]C[5,6]O[5]C)(C[5]C[5]2O)(OC)(H)	O[5](C[5]C[5,6]CC)(C[5]C[5,6]HH){1|H<1>,3|C<4>}	103.0100	0.000	1	103.0100	0.000	1	105.0018	5.196	5	107.3263	8.175	15	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:2:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[5]HO)(CH3)	C(C[5]C[5,6]O[5]C)(C[5]C[5]2O)(OC)(H)	O[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[5]HO)(CH3){1|C<3>,3|C<4>,3|H<1>}	C(C[5]C[5,6]O[5]C)(C[5]C[5]2O)(OC)(H)	O[5](C[5]C[5,6]CC)(C[5]C[5,6]HH){1|H<1>,3|C<4>}	106.5500	2.722	2	105.4998	5.275	4	105.0018	5.196	5	107.3263	8.175	15	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:2:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[5]HO)(CH3)	C(C[5]C[5,6]O[5]C)(C[5]C[5]2O)(OC)(H)	O[5](C[5]C[5,6]CC)(C[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CC[5]HO)(CH3){2|C<3>,2|C<4>,3|H<1>}	C(C[5]C[5,6]O[5]C)(C[5]C[5]2O)(OC)(H)	O[5](C[5]C[5,6]CC)(C[5]C[5,6]HH){1|H<1>,3|C<4>}	104.4495	2.000	2	105.4998	5.275	4	105.0018	5.196	5	107.3263	8.175	15	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:O-2:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]CH)(O[5]C[5,5])(CCHH)(CCHO)	C(C[5]C[5]O[5]C)(CC3)(OC)(H)	O[5](C[5,5]C[5]3)(C[5]C[5]CC)	C[5](C[5]C[5]CH)(O[5]C[5,5])(CCHH)(CCHO){1|O<1>,2|C<4>}	C(C[5]C[5]O[5]C)(CC3)(OC)(H)	O[5](C[5,5]C[5]3)(C[5]C[5]CC){1|O<1>,4|C<4>,4|H<1>}	110.5190	2.285	2	110.5190	5.223	2	109.9187	3.693	3	107.3263	8.175	15	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:O-2:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5,5])(CCHO)(CH3)	C(C[5]C[5]O[5]C)(CCHH)(OC)(H)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CC)	C[5](C[5]C[5]HO)(O[5]C[5,5])(CCHO)(CH3){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]O[5]C)(CCHH)(OC)(H)	O[5](C[5,5]C[5]2O[5])(C[5]C[5]CC){1|O<2>,3|H<1>,4|C<4>}	108.7180	0.000	1	108.7180	0.000	1	109.9187	3.693	3	107.3263	8.175	15	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3)	C(C[5]C[5]O[5]C)(CCHH)(OH)(H)	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]C)(CCHH)(OH)(H)	O[5](C[5]C[5]CC)(C[5]C[5]CH){4|H<1>}	106.7080	0.000	1	106.7080	0.000	1	105.7693	0.834	3	107.3263	8.175	15	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3)	C(C[5]C[5]O[5]C)(CC[5]HH)(OH)(H)	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3){1|C<3>,3|H<1>}	C(C[5]C[5]O[5]C)(CC[5]HH)(OH)(H)	O[5](C[5]C[5]CC)(C[5]C[5]CH){4|H<1>}	105.7160	0.000	1	105.7160	0.000	1	105.7693	0.834	3	107.3263	8.175	15	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3)	C(C[5]C[5]O[5]C)(CHHO)(OH)(H)	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CCHO)(CH3){1|C<3>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]C)(CHHO)(OH)(H)	O[5](C[5]C[5]CC)(C[5]C[5]CH){1|O<2>,3|H<1>}	104.8840	0.000	1	104.8840	0.000	1	105.7693	0.834	3	107.3263	8.175	15	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]HO)(CH3)	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(OH)(H)	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5]HO)(CH3){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(OH)(H)	O[5](C[5]C[5]CC)(C[5]C[5]CH){4|H<1>}	106.7040	0.000	1	106.7040	0.000	1	109.4555	4.011	4	107.3263	8.175	15	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(CHHO)	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(OH)(H)	O[5](C[5]C[5]CC)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(O[5]C[5])(CC[5]HO)(CHHO){2|C<4>}	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(OH)(H)	O[5](C[5]C[5]CC)(C[5]O[5]CC){1|C<4>,1|H<1>}	109.2560	0.000	1	109.2560	0.000	1	109.4555	4.011	4	107.3263	8.175	15	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:2:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(CHHO)	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(OH)(H)	O[5](C[5]C[5]CC)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(O[5]C[5])(CC[5]HO)(CHHO){2|C<4>}	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(OH)(H)	O[5](C[5]C[5]CC)(C[5]O[5]CC){2|H<1>}	110.9310	0.260	2	110.9310	0.068	2	109.4555	4.011	4	107.3263	8.175	15	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:4:1:	4:4:	C[5,6]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:C-4:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCCH)2	C(C[5]C[5,6]O[5]C)(CH3)2(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CCCH)2{3|C<4>,4|H<1>}	C(C[5]C[5,6]O[5]C)(CH3)2(H)	O[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CC){1|C<3>,2|C<4>,4|H<1>}	105.2780	3.321	4	105.2780	11.030	4	105.2780	11.030	4	105.7350	9.317	5	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:2:4:4:	4:4:4:1:	4:4:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(O[5]C[5])(CCCH)(CCHH)	C(C[5]C[5]O[5]C)(CH3)2(H)	O[5](C[5]C[5]2C)(C[5]C[5]CC)	C[5](C[5]C[5]HH)(O[5]C[5])(CCCH)(CCHH){2|C<4>,2|H<1>}	C(C[5]C[5]O[5]C)(CH3)2(H)	O[5](C[5]C[5]2C)(C[5]C[5]CC){1|C<4>,1|O<2>,5|H<1>}	107.5630	0.000	1	107.5630	0.000	1	107.5630	0.000	1	105.7350	9.317	5	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:3:2:4:	4:1:1:1:	4:4:	C[5]-4:C[6a]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(CH3)	C(C[5]C[6a]C[5]O[5])(H)3	O[5](C[5]C[6a]C[5]C)(C[5]O[5]CH)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]C[5])(CH3){1|C<4>,3|H<1>,4|C<3>}	C(C[5]C[6a]C[5]O[5])(H)3	O[5](C[5]C[6a]C[5]C)(C[5]O[5]CH){1|H<1>,3|C<3>}	108.2990	0.000	1	108.2990	0.000	1	108.2990	0.000	1	109.2900	1.964	2	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:3:2:4:	4:1:1:1:	4:4:	P[5]-4:C[6a]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:Si[5]-4:	C[5](P[5]C[6a]2C[5])(C[6a]C[6a]2)(O[5]Si[5])(CH3)	C(C[5]C[6a]O[5]P[5])(H)3	O[5](C[5]C[6a]P[5]C)(Si[5]C[5]CC)	C[5](P[5]C[6a]2C[5])(C[6a]C[6a]2)(O[5]Si[5])(CH3){2|C<4>,2|H<1>,7|C<3>}	C(C[5]C[6a]O[5]P[5])(H)3	O[5](C[5]C[6a]P[5]C)(Si[5]C[5]CC){5|C<3>}	110.2810	0.000	1	110.2810	0.000	1	110.2810	0.000	1	109.2900	1.964	2	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:3:2:4:	4:2:1:1:	4:4:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5,5]C[5]O)(C[5]C[5,5]O)(O[5]C[5,5])(CHHO)	C(C[5]C[5]2O[5])(OSi)(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2C)	C[5](C[5]C[5,5]C[5]O)(C[5]C[5,5]O)(O[5]C[5,5])(CHHO){2|C<4>,4|H<1>,4|O<2>}	C(C[5]C[5]2O[5])(OSi)(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2C){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	104.9530	0.000	1	104.9530	0.000	1	104.9530	0.000	1	104.9530	0.000	1	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:3:2:4:	4:4:1:1:	4:4:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(C[5]C[5]2)(O[5]C[5])(CCHH)	C(C[5]C[5]2O[5])(CH3)(H)2	O[5](C[5]C[5]2C)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(C[5]C[5]2)(O[5]C[5])(CCHH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[5]C[5]2O[5])(CH3)(H)2	O[5](C[5]C[5]2C)(C[5]O[5]CC){1|C<3>,1|H<1>,2|C<4>}	109.7700	0.000	1	109.7700	0.000	1	109.7700	0.000	1	109.7700	0.000	1	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:1:	3:3:4:2:	4:4:	C[5]-4:C-4:O[5]-2:H-1:	C[6a]-3:C[6a]-3:C[5]-4:O-2:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H)	C(C[6a]C[6a,6a]C[6a])2(C[5]C[5]O[5]H)(OH)	O[5](C[5]C[6a]2O[5])(C[5]C[5]CH)	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H){2|C<3>}	C(C[6a]C[6a,6a]C[6a])2(C[5]C[5]O[5]H)(OH)	O[5](C[5]C[6a]2O[5])(C[5]C[5]CH){1|C<4>,1|H<1>,4|C<3>}	110.5300	0.048	2	110.5300	0.002	2	110.5300	0.002	2	110.5300	0.002	2	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:1:	3:4:1:1:	4:4:	C[5,5]-4:C-4:O[5]-2:H-1:	N[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(CN[5a]HH)(O[5]C[5])(H)	C(N[5a]C[5a,6]N[5a])(C[5]C[5,5]O[5]H)(H)2	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]H)(CN[5a]HH)(O[5]C[5])(H){1|C<4>,2|H<1>,2|O<2>}	C(N[5a]C[5a,6]N[5a])(C[5]C[5,5]O[5]H)(H)2	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO){2|H<1>,2|O<2>}	111.5580	0.000	1	111.5580	0.000	1	111.5580	0.000	1	109.6958	1.743	8	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:1:	3:4:1:1:	4:4:	C[5]-4:C-4:O[5]-2:H-1:	N[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(CN[5a]HH)(O[5]C[5])(H)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(CN[5a]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	O[5](C[5]C[5]CH)2{1|O<2>,3|H<1>}	110.4420	1.123	3	110.4420	1.261	3	109.4297	1.373	7	109.6958	1.743	8	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:1:	3:4:1:1:	4:4:	C[5]-4:C-4:O[5]-2:H-1:	N[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(CN[5a]HH)(O[5]C[5])(H)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(CN[5a]HH)(O[5]C[5])(H){2|C<4>}	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	108.4900	0.000	1	108.4900	0.000	1	109.4297	1.373	7	109.6958	1.743	8	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:1:	3:4:1:1:	4:4:	C[5]-4:C-4:O[5]-2:H-1:	N[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(CN[5a]HH)(O[5]C[5])(H)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	O[5](C[5]C[6a]O[5]C)(C[5]C[5]CH)	C[5](C[5]O[5]HH)(CN[5a]HH)(O[5]C[5])(H){1|C<3>,1|C<4>}	C(N[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(H)2	O[5](C[5]C[6a]O[5]C)(C[5]C[5]CH){2|C<3>,2|H<1>}	108.5365	0.257	2	108.5365	0.066	2	109.4297	1.373	7	109.6958	1.743	8	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:1:	3:4:1:1:	4:4:	C[5]-4:C-4:O[5]-2:H-1:	N[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(CN[5a]HH)(O[5]C[5])(H)	C(N[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(H)2	O[5](C[5]C[6a]O[5]C)(C[5]C[5]CH)	C[5](C[5]O[5]HH)(CN[5a]HH)(O[5]C[5])(H){1|C<3>,1|C<4>}	C(N[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(H)2	O[5](C[5]C[6a]O[5]C)(C[5]C[5]CH){2|C<3>,2|H<1>}	109.1190	0.000	1	109.1190	0.000	1	109.4297	1.373	7	109.6958	1.743	8	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:1:	3:4:3:1:	4:4:	C-4:C[5]-4:O[5]-2:H-1:	C[5a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-4:	C[5](CC[5a]C[6a]H)(C[5]C[5]HH)(O[5]C[5])(H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](CC[5a]C[6a]H)(C[5]C[5]HH)(O[5]C[5])(H){2|C<4>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)	O[5](C[5]C[5]CC)(C[5]C[5]CH){4|H<1>}	107.4310	0.000	1	107.4310	0.000	1	107.4310	0.000	1	106.9093	3.254	3	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:1:	3:4:3:1:	4:4:	C[5]-4:C-4:O[5]-2:H-1:	C[5a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(CC[5a]HN)(O[5]C[5])(H)	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]H)(NCO)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(CC[5a]HN)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]H)(NCO)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	104.9020	0.000	1	104.9020	0.000	1	106.6485	6.101	2	106.9093	3.254	3	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:1:	3:4:3:1:	4:4:	C[5]-4:C-4:O[5]-2:H-1:	C[5a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]HH)(CC[5a]HN)(O[5]C[5])(H)	C(C[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(NCO)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]HH)(CC[5a]HN)(O[5]C[5])(H){2|C<4>}	C(C[5a]C[5a]N[5a])(C[5]C[5]O[5]H)(NCO)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){2|H<1>}	108.3950	0.000	1	108.3950	0.000	1	106.6485	6.101	2	106.9093	3.254	3	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:1:	4:3:1:1:	4:4:	C[5,6]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[5]C[6])(CC[6a]HH)(O[5]C[5])(H)	C(C[5]C[5,6]O[5]H)(C[6a]C[6a]2)(H)2	O[5](C[5]C[5,6]CH)(C[5]C[5]HH)	C[5](C[5,6]C[5,6]C[5]C[6])(CC[6a]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,3|O<2>,5|H<1>}	C(C[5]C[5,6]O[5]H)(C[6a]C[6a]2)(H)2	O[5](C[5]C[5,6]CH)(C[5]C[5]HH){2|C<4>,2|H<1>}	110.6460	0.000	1	110.6460	0.000	1	110.6460	0.000	1	109.2680	1.824	7	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:1:	4:3:1:1:	4:4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]CH)	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(H){1|C<4>,3|C<3>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]CH){2|C<3>,2|H<1>}	111.4810	0.000	1	111.4810	0.000	1	111.4810	0.000	1	109.2680	1.824	7	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:1:	4:3:1:1:	4:4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:S[5]-4:	C[5](C[5]C[6a]N[5]H)(CC[6a]HH)(O[5]S[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	O[5](C[5]C[5]CH)(S[5]N[5]OO)	C[5](C[5]C[6a]N[5]H)(CC[6a]HH)(O[5]S[5])(H){2|O<1>,3|C<3>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	O[5](C[5]C[5]CH)(S[5]N[5]OO){1|H<1>,2|C<3>}	107.8840	0.000	1	107.8840	0.000	1	107.8840	0.000	1	109.2680	1.824	7	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:1:	4:3:1:1:	4:4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:N[5a]-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(CN[5a]HH)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(N[5a]C[5a]2)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(CN[5a]HH)(O[5]C[5])(H){2|C<4>}	C(C[5]C[5]O[5]H)(N[5a]C[5a]2)(H)2	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	108.7163	0.581	4	108.7163	0.337	4	108.7163	0.337	4	109.2680	1.824	7	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:1:	4:3:2:1:	4:4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:N-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(CC[6a]HN)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NC)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(CC[6a]HN)(O[5]C[5])(H){4|H<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NC)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HH){4|H<1>}	108.8440	0.000	1	108.8440	0.000	1	108.8440	0.000	1	109.8900	2.188	2	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:1:	4:3:2:1:	4:4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]C[5]H)(CC[6a]HO)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OC)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[6a]C[5]H)(CC[6a]HO)(O[5]C[5])(H){1|O<2>,2|C<3>,3|H<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OC)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,1|O<2>,2|H<1>}	110.9360	0.000	1	110.9360	0.000	1	110.9360	0.000	1	109.8900	2.188	2	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:1:	4:3:3:1:	4:4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O-1:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(O)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H){2|C<4>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(O)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	109.5085	0.320	2	109.5085	0.103	2	109.5085	0.103	2	109.5085	0.103	2	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:1:	4:3:3:2:	3:4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	N[5]-3:C[5]-4:	C[5](C[5]C[5,5]HH)(CC[6a]2O)(O[5]N[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OH)	O[5](N[5]C[5,5]C[6a])(C[5]C[5]CH)	C[5](C[5]C[5,5]HH)(CC[6a]2O)(O[5]N[5])(H){1|C<3>,2|C<4>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OH)	O[5](N[5]C[5,5]C[6a])(C[5]C[5]CH){2|C<3>,2|C<4>,2|H<1>}	108.7160	0.000	1	108.7160	0.000	1	108.7160	0.000	1	108.7160	0.000	1	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:1:	4:3:3:2:	4:4:	C[5,5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(CC[6a]2O)(O[5]C[5])(H)	C(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)2(OH)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO)	C[5](C[5,5]C[5,5]O[5]H)(CC[6a]2O)(O[5]C[5])(H){1|C<4>,2|H<1>,2|O<2>}	C(C[5]C[5,5]O[5]H)(C[6a]C[6a]2)2(OH)	O[5](C[5]C[5,5]CH)(C[5]C[5,5]HO){2|H<1>,2|O<2>}	109.1080	0.000	1	109.1080	0.000	1	109.1080	0.000	1	110.2436	2.462	72	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:1:	4:3:3:2:	4:4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:N-2:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(CC[6a]2N)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(NMo)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(CC[6a]2N)(O[5]C[5])(H){2|C<4>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(NMo)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	109.8900	0.051	2	109.8900	0.003	2	110.4867	1.069	3	110.2436	2.462	72	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:1:	4:3:3:2:	4:4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:N-2:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(CC[6a]2N)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(NP)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(CC[6a]2N)(O[5]C[5])(H){2|C<4>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(NP)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	111.6800	0.000	1	111.6800	0.000	1	110.4867	1.069	3	110.2436	2.462	72	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:1:	4:3:3:2:	4:4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(CC[6a]2O)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OH)	O[5](C[5]C[5]CH)2	C[5](C[5]C[5]HH)(CC[6a]2O)(O[5]C[5])(H){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OH)	O[5](C[5]C[5]CH)2{4|H<1>}	109.8207	1.317	9	109.8207	1.733	9	110.2496	2.555	68	110.2436	2.462	72	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:1:	4:3:3:2:	4:4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OAl)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H){2|C<4>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OAl)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	109.4495	0.527	2	109.4495	0.278	2	110.2496	2.555	68	110.2436	2.462	72	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:1:	4:3:3:2:	4:4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OH)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H){2|C<4>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OH)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	108.8726	0.679	20	108.8726	0.461	20	110.2496	2.555	68	110.2436	2.462	72	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:1:	4:3:3:2:	4:4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OP)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H){2|C<4>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OP)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	111.2404	1.450	35	111.2404	2.102	35	110.2496	2.555	68	110.2436	2.462	72	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:1:	4:3:3:2:	4:4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OTi)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(CC[6a]2O)(O[5]C[5])(H){2|C<4>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(OTi)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	109.4110	0.403	2	109.4110	0.162	2	110.2496	2.555	68	110.2436	2.462	72	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:1:	4:3:3:3:	4:4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:N-3:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(CC[6a]2N)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(NCH)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(CC[6a]2N)(O[5]C[5])(H){2|C<4>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(NCH)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	111.6675	1.037	2	111.6675	1.076	2	111.1362	1.466	5	111.1362	1.466	5	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:1:	4:3:3:3:	4:4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:N-3:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(CC[6a]2N)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(NHP)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(CC[6a]2N)(O[5]C[5])(H){2|C<4>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(NHP)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	110.7820	1.387	3	110.7820	1.924	3	111.1362	1.466	5	111.1362	1.466	5	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:1:	4:3:4:1:	4:4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:N-4:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(CC[6a]HN)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NC[6a]AlH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(CC[6a]HN)(O[5]C[5])(H){4|H<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NC[6a]AlH)(H)	O[5](C[5]C[5]CH)(C[5]C[5]HH){4|H<1>}	108.9860	0.000	1	108.9860	0.000	1	108.9860	0.000	1	108.9860	0.000	1	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:1:	4:3:4:2:	4:4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C-4:O-2:	C[5]-4:C[5]-4:	C[5](C[5]O[5]CH)(CC[6a]CO)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CH3)(OH)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]O[5]CH)(CC[6a]CO)(O[5]C[5])(H){2|C<4>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CH3)(OH)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	108.5880	0.417	2	108.5880	0.174	2	108.5880	0.174	2	108.5880	0.174	2	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:1:	4:4:3:1:	4:4:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-4:C[6]-4:N[4]-3:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(CC[6]N[4]H)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6]S[6]2H)(N[4]C[4]2)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(CC[6]N[4]H)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	C(C[5]C[5]O[5]H)(C[6]S[6]2H)(N[4]C[4]2)(H)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	109.9890	0.655	2	109.9890	0.429	2	109.9890	0.429	2	109.9890	0.429	2	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:1:	4:4:3:2:	4:4:	C-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6a]-3:O-2:	C[5]-4:C[5]-4:	C[5](CC[6a]C[6]O)(C[5]O[5]CH)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6]C[6]2Pd)(C[6a]C[6a]2)(OP)	O[5](C[5]C[5]CH)(C[5]O[5]CC)	C[5](CC[6a]C[6]O)(C[5]O[5]CH)(O[5]C[5])(H){2|C<4>}	C(C[5]C[5]O[5]H)(C[6]C[6]2Pd)(C[6a]C[6a]2)(OP)	O[5](C[5]C[5]CH)(C[5]O[5]CC){1|C<4>,1|H<1>}	111.1380	0.000	1	111.1380	0.000	1	111.1380	0.000	1	111.1380	0.000	1	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:2:	4:3:1:1:	4:2:	C[5]-4:C-4:O[5]-2:O-2:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:O[5]-2:	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]O[5])(OO)	C(C[5]C[5]O[5]O)(C[6a]C[6a]2)(H)2	O[5](C[5]C[5]CO)(O[5]C[5])	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]O[5])(OO){2|C<4>}	C(C[5]C[5]O[5]O)(C[6a]C[6a]2)(H)2	O[5](C[5]C[5]CO)(O[5]C[5]){2|C<4>,2|H<1>}	104.2250	0.000	1	104.2250	0.000	1	104.2250	0.000	1	104.2250	0.000	1	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:2:	4:3:1:1:	4:4:	C[5]-4:C-4:O[5]-2:O-2:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(OO)	C(C[5]C[5]O[5]O)(C[6a]C[6a]2)(H)2	O[5](C[5]C[5]CO)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(OO){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]O)(C[6a]C[6a]2)(H)2	O[5](C[5]C[5]CO)(C[5]C[5]HH){1|C<4>,1|O<2>,2|H<1>}	107.6560	0.000	1	107.6560	0.000	1	107.6560	0.000	1	106.8455	1.314	2	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:2:	4:3:1:1:	4:4:	C[5]-4:C-4:O[5]-2:O-2:	C[5]-4:N[6a]-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(CN[6a]HH)(O[5]C[5])(OC)	C(C[5]C[5]O[5]O)(N[6a]C[6a]2)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]CO)	C[5](C[5]C[5]HO)(CN[6a]HH)(O[5]C[5])(OC){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]O)(N[6a]C[6a]2)(H)2	O[5](C[5]C[5]CH)(C[5]C[5]CO){2|H<1>,2|O<2>}	106.0350	0.000	1	106.0350	0.000	1	106.0350	0.000	1	106.8455	1.314	2	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:3:	4:3:1:1:	4:4:	C[3,5]-4:C-4:O[5]-2:C-3:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(CC[6a]HH)(O[5]C[5])(COO)	C(C[5]C[3,5]O[5]C)(C[6a]C[6a]2)(H)2	O[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]CC)	C[5](C[3,5]C[3,5]C[3]H)(CC[6a]HH)(O[5]C[5])(COO){2|C<3>,3|H<1>}	C(C[5]C[3,5]O[5]C)(C[6a]C[6a]2)(H)2	O[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]CC){1|C<4>,2|C<3>,2|H<1>}	112.2550	0.000	1	112.2550	0.000	1	112.2550	0.000	1	110.9542	0.890	6	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:3:	4:3:1:1:	4:4:	C[5,5]-4:C-4:O[5]-2:C-3:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(CC[6a]HH)(O[5]C[5])(COO)	C(C[5]C[5,5]O[5]C)(C[6a]C[6a]2)(H)2	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)	C[5](C[5,5]C[5,5]C[5]H)(CC[6a]HH)(O[5]C[5])(COO){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C(C[5]C[5,5]O[5]C)(C[6a]C[6a]2)(H)2	O[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC){2|H<1>,4|C<3>}	111.1330	0.000	1	111.1330	0.000	1	111.1330	0.000	1	110.9542	0.890	6	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:3:	4:3:1:1:	4:4:	C[5]-4:C-4:O[5]-2:C-3:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(COO)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]C[5])(COO){2|C<3>,2|H<1>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(H)2	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){3|C<3>,3|H<1>}	109.4230	0.000	1	109.4230	0.000	1	110.5842	0.726	4	110.9542	0.890	6	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:3:	4:3:1:1:	4:4:	C[5]-4:C-4:O[5]-2:C-3:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[6a]O[5]H)(CC[6a]HH)(O[5]C[5])(COO)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(H)2	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)	C[5](C[5]C[6a]O[5]H)(CC[6a]HH)(O[5]C[5])(COO){1|H<1>,3|C<3>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(H)2	O[5](C[5]C[6a]O[5]H)(C[5]C[5]CC){1|H<1>,3|C<3>}	110.9713	0.436	3	110.9713	0.190	3	110.5842	0.726	4	110.9542	0.890	6	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:4:	4:1:1:1:	4:3:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:	C[5](C[5]C[5,5]C[5]C)(C[5]C[5]CH)(O[5]N[5])(CH3)	C(C[5]C[5]2O[5])(H)3	O[5](C[5]C[5]2C)(N[5]C[5]C)	C[5](C[5]C[5,5]C[5]C)(C[5]C[5]CH)(O[5]N[5])(CH3){2|O<2>,3|H<1>,4|C<4>}	C(C[5]C[5]2O[5])(H)3	O[5](C[5]C[5]2C)(N[5]C[5]C){1|C<3>,2|H<1>,4|C<4>}	105.1470	0.305	2	105.1470	0.093	2	105.1470	0.093	2	105.1470	0.093	2	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[3,5]C[5]H)(O[5]C[5,5])(CH3)	C(C[5]C[5,5]C[5]O[5])(H)3	O[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[3,5]C[5]H)(O[5]C[5,5])(CH3){1|C<3>,2|O<2>,4|H<1>,6|C<4>}	C(C[5]C[5,5]C[5]O[5])(H)3	O[5](C[5,5]C[3x5]C[5]H)(C[5]C[5,5]C[5]C){1|C<3>,3|H<1>,5|C<4>}	106.5110	0.645	2	106.5110	0.416	2	106.9280	0.730	3	108.0810	1.248	41	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]2H)(O[5]C[5,5])(CH3)	C(C[5]C[5,5]C[5]O[5])(H)3	O[5](C[5,5]C[3,5]C[3x5]H)(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]2H)(O[5]C[5,5])(CH3){2|C<3>,5|C<4>,5|H<1>}	C(C[5]C[5,5]C[5]O[5])(H)3	O[5](C[5,5]C[3,5]C[3x5]H)(C[5]C[5,5]C[5]C){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	107.7620	0.000	1	107.7620	0.000	1	106.9280	0.730	3	108.0810	1.248	41	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5]-4:C-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(CC[6,6]HH)(O[5]C[5])(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]CO)	C[5](C[5]C[5]CH)(CC[6,6]HH)(O[5]C[5])(CH3){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[5]CC)(C[5]C[5]CO){1|C<4>,3|H<1>}	107.0200	0.000	1	107.0200	0.000	1	108.6725	5.462	2	108.0810	1.248	41	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5]-4:C-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(CC[6a]HO)(O[5]C[5])(CH3)	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)	C[5](C[5]C[5]HO)(CC[6a]HO)(O[5]C[5])(CH3){1|C<3>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	110.3250	0.000	1	110.3250	0.000	1	108.6725	5.462	2	108.0810	1.248	41	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5,6])(CH3)	C(C[5]C[5]2O[5])(H)3	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]2C)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5,6])(CH3){1|O<2>,3|H<1>,4|C<4>}	C(C[5]C[5]2O[5])(H)3	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]2C){1|O<2>,5|C<4>,5|H<1>}	109.2050	0.615	2	109.2050	0.378	2	109.2050	0.378	2	108.0810	1.248	41	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(CH3)	C(C[5]C[5]2O[5])(H)3	O[5](C[5]C[5]2C)(C[5]O[5]CC)	C[5](C[5]C[5,5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(CH3){1|C<3>,1|O<2>,4|C<4>}	C(C[5]C[5]2O[5])(H)3	O[5](C[5]C[5]2C)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	108.5340	0.000	1	108.5340	0.000	1	108.0609	1.203	30	108.0810	1.248	41	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	C(C[5]C[5]2O[5])(H)3	O[5](C[5]C[5]2C)(C[5]C[5]CH)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3){1|O<2>,4|H<1>,5|C<4>}	C(C[5]C[5]2O[5])(H)3	O[5](C[5]C[5]2C)(C[5]C[5]CH){2|C<4>,5|H<1>}	108.4980	0.000	1	107.5934	0.879	16	108.0609	1.203	30	108.0810	1.248	41	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	C(C[5]C[5]2O[5])(H)3	O[5](C[5]C[5]2C)(C[5]C[5]CH)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3){4|C<4>,6|H<1>}	C(C[5]C[5]2O[5])(H)3	O[5](C[5]C[5]2C)(C[5]C[5]CH){2|C<4>,5|H<1>}	107.5331	0.938	15	107.5934	0.879	16	108.0609	1.203	30	108.0810	1.248	41	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	C(C[5]C[5]2O[5])(H)3	O[5](C[5]C[5]2C)(C[5]C[5]CO)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3){1|O<2>,4|C<4>,5|H<1>}	C(C[5]C[5]2O[5])(H)3	O[5](C[5]C[5]2C)(C[5]C[5]CO){2|C<4>,5|H<1>}	106.9215	0.214	2	106.9215	0.046	2	108.0609	1.203	30	108.0810	1.248	41	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	C(C[5]C[5]2O[5])(H)3	O[5](C[5]C[5]2C)(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3){3|C<4>,5|H<1>}	C(C[5]C[5]2O[5])(H)3	O[5](C[5]C[5]2C)(C[5]C[5]2H){2|O<2>,3|C<4>,5|H<1>}	108.5600	0.479	2	108.8030	0.156	4	108.0609	1.203	30	108.0810	1.248	41	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	C(C[5]C[5]2O[5])(H)3	O[5](C[5]C[5]2C)(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3){4|C<4>,4|H<1>}	C(C[5]C[5]2O[5])(H)3	O[5](C[5]C[5]2C)(C[5]C[5]2H){2|O<2>,3|C<4>,5|H<1>}	109.0460	0.045	2	108.8030	0.156	4	108.0609	1.203	30	108.0810	1.248	41	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	C(C[5]C[5]2O[5])(H)3	O[5](C[5]C[5]2C)(C[5]C[5]CC)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3){4|C<4>,4|H<1>}	C(C[5]C[5]2O[5])(H)3	O[5](C[5]C[5]2C)(C[5]C[5]CC){1|C<4>,1|O<2>,5|H<1>}	108.8560	0.000	1	108.8560	0.000	1	108.0609	1.203	30	108.0810	1.248	41	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	C(C[5]C[5]2O[5])(H)3	O[5](C[5]C[5]2C)(C[5]C[5]CH)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3){3|C<4>,5|H<1>}	C(C[5]C[5]2O[5])(H)3	O[5](C[5]C[5]2C)(C[5]C[5]CH){1|C<4>,1|O<2>,5|H<1>}	108.0325	0.607	2	108.0325	0.369	2	108.0609	1.203	30	108.0810	1.248	41	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	C(C[5]C[5]2O[5])(H)3	O[5](C[5]C[5]2C)(C[5]C[5]CO)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(O[5]C[5])(CH3){1|O<2>,3|C<4>,4|H<1>}	C(C[5]C[5]2O[5])(H)3	O[5](C[5]C[5]2C)(C[5]C[5]CO){1|C<4>,1|O<2>,5|H<1>}	108.5620	0.000	1	108.5620	0.000	1	108.0609	1.203	30	108.0810	1.248	41	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(CH3)	C(C[5]C[5]2O[5])(H)3	O[5](C[5]C[5]2C)(C[5]O[5]CC)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(O[5]C[5])(CH3){1|C<3>,1|O<2>,4|C<4>}	C(C[5]C[5]2O[5])(H)3	O[5](C[5]C[5]2C)(C[5]O[5]CC){1|C<4>,1|O<2>,3|H<1>}	109.7530	1.190	3	109.7530	1.416	3	108.0609	1.203	30	108.0810	1.248	41	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[6]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(O[5]C[5,6])(CH3)	C(C[5]C[5]C[6]O[5])(H)3	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]C[6]C)	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(O[5]C[5,6])(CH3){1|O<2>,3|C<4>,4|H<1>}	C(C[5]C[5]C[6]O[5])(H)3	O[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]C[6]C){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	108.3585	0.564	2	108.3585	0.318	2	108.3585	0.318	2	108.0810	1.248	41	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[6]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[6]C[6,6]C[6]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	C(C[5]C[5]C[6]O[5])(H)3	O[5](C[5]C[5]C[6]C)(C[5]C[5]CH)	C[5](C[6]C[6,6]C[6]H)(C[5]C[5]HH)(O[5]C[5])(CH3){1|C<3>,3|C<4>,6|H<1>}	C(C[5]C[5]C[6]O[5])(H)3	O[5](C[5]C[5]C[6]C)(C[5]C[5]CH){2|C<4>,5|H<1>}	108.0630	0.000	1	108.0630	0.000	1	108.1205	0.007	2	108.0810	1.248	41	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:4:	4:1:1:1:	4:4:	C[6]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(O[5]C[5])(CH3)	C(C[5]C[5]C[6]O[5])(H)3	O[5](C[5]C[5]C[6]C)(C[5]C[5]HH)	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(O[5]C[5])(CH3){2|C<4>,6|H<1>}	C(C[5]C[5]C[6]O[5])(H)3	O[5](C[5]C[5]C[6]C)(C[5]C[5]HH){1|C<4>,1|O<2>,5|H<1>}	108.1780	0.000	1	108.1780	0.000	1	108.1205	0.007	2	108.0810	1.248	41	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:4:	4:2:1:1:	4:4:	C[3]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[3]C[3]O[3]H)(C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)	C(C[5]C[3]C[5]O[5])(OC)(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[3]C[5]C)	C[5](C[3]C[3]O[3]H)(C[5]C[5,5]HO)(O[5]C[5,5])(CHHO){2|O<2>,4|H<1>}	C(C[5]C[3]C[5]O[5])(OC)(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[3]C[5]C){2|C<4>,3|H<1>,3|O<2>}	109.6530	0.000	1	109.6530	0.000	1	109.6530	0.000	1	110.3240	0.900	2	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:4:	4:2:1:1:	4:4:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(CHHO)	C(C[5]C[5]2O[5])(OC)(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2C)	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(CHHO){2|C<4>,3|O<2>,4|H<1>}	C(C[5]C[5]2O[5])(OC)(H)2	O[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]2C){1|N<3>,2|C<4>,2|O<2>,3|H<1>}	110.9950	0.000	1	110.9950	0.000	1	110.9950	0.000	1	110.3240	0.900	2	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:4:	4:3:2:1:	4:4:	C[5]-4:C-4:O[5]-2:C-4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]HO)(CC[6a]HO)(O[5]C[5])(CH3)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(OH)(H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)	C[5](C[5]C[5]HO)(CC[6a]HO)(O[5]C[5])(CH3){1|C<3>,1|H<1>,1|O<1>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(OH)(H)	O[5](C[5]C[6a]C[5]H)(C[5]C[5]CC){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	105.7750	0.000	1	105.7750	0.000	1	105.7750	0.000	1	105.7750	0.000	1	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:4:	4:4:1:1:	4:4:	C[5,5]-4:C-4:O[5]-2:C-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(CC[5,5]HH)(O[5]C[5])(CCHH)	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5,5]O[5]C)(H)2	O[5](C[5]C[5,5]CC)(C[5]C[5,5]CO)	C[5](C[5,5]C[5,5]C[5]H)(CC[5,5]HH)(O[5]C[5])(CCHH){2|C<4>,2|H<1>,3|O<2>}	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5,5]O[5]C)(H)2	O[5](C[5]C[5,5]CC)(C[5]C[5,5]CO){1|C<4>,1|H<1>,2|O<2>}	106.6950	0.000	1	106.6950	0.000	1	106.6950	0.000	1	107.9633	1.748	6	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:4:	4:4:1:1:	4:4:	C[5,5]-4:C-4:O[5]-2:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5]H)(CC[5,5]HH)(O[5]C[5])(CCHH)	C(C[5]C[5,5]O[5]C)(CCHH)(H)2	O[5](C[5]C[5,5]CC)(C[5]C[5,5]CO)	C[5](C[5,5]C[5,5]C[5]H)(CC[5,5]HH)(O[5]C[5])(CCHH){2|C<4>,2|H<1>,3|O<2>}	C(C[5]C[5,5]O[5]C)(CCHH)(H)2	O[5](C[5]C[5,5]CC)(C[5]C[5,5]CO){1|C<4>,1|H<1>,2|O<2>}	107.2250	0.000	1	107.2250	0.000	1	107.2250	0.000	1	107.9633	1.748	6	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:4:	4:4:1:1:	4:4:	C[5]-4:C-4:O[5]-2:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(CC[5,5]HO)(O[5]C[5])(CCHH)	C(C[5]C[5]O[5]C)(CC[3]HH)(H)2	O[5](C[5]C[3]C[5]O)(C[5]C[5]CC)	C[5](C[5]C[5]CH)(CC[5,5]HO)(O[5]C[5])(CCHH){1|C<4>,1|O<1>,1|O<2>}	C(C[5]C[5]O[5]C)(CC[3]HH)(H)2	O[5](C[5]C[3]C[5]O)(C[5]C[5]CC){1|O<1>,2|H<1>,3|C<4>}	109.0287	0.940	3	109.0287	0.884	3	109.0287	0.884	3	107.9633	1.748	6	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:4:	4:4:1:1:	4:4:	C[5]-4:C-4:O[5]-2:C-4:	C[6,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(CC[6,6]HH)(O[5]C[5])(CH3)	C(C[6,6]C[5,3x6]C[6,6]C)(C[5]C[5]O[5]C)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]CO)	C[5](C[5]C[5]CH)(CC[6,6]HH)(O[5]C[5])(CH3){1|C<4>,1|O<2>,2|H<1>}	C(C[6,6]C[5,3x6]C[6,6]C)(C[5]C[5]O[5]C)(H)2	O[5](C[5]C[5]CC)(C[5]C[5]CO){1|C<4>,3|H<1>}	106.7740	0.000	1	106.7740	0.000	1	106.7740	0.000	1	107.9633	1.748	6	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:4:	4:4:2:1:	4:4:	C[5]-4:C-4:O[5]-2:C-4:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:	C[5](C[5]C[5]CH)(CC[5,5]HO)(O[5]C[5])(CCHH)	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]O[5]C)(OH)(H)	O[5](C[5]C[3]C[5]O)(C[5]C[5]CC)	C[5](C[5]C[5]CH)(CC[5,5]HO)(O[5]C[5])(CCHH){1|C<4>,1|O<1>,1|O<2>}	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]O[5]C)(OH)(H)	O[5](C[5]C[3]C[5]O)(C[5]C[5]CC){1|O<1>,2|H<1>,3|C<4>}	108.4913	0.462	3	108.4913	0.214	3	108.4913	0.214	3	108.4913	0.214	3	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	4:4:2:4:	4:4:4:4:	4:4:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-4:	C[5](C[5]C[5]2Fe)(C[5]C[5]FF)(O[5]C[5])(CC3)	C(C[5]C[5]2O[5])(CH3)3	O[5](C[5]C[5]2C)(C[5]C[5]2H)	C[5](C[5]C[5]2Fe)(C[5]C[5]FF)(O[5]C[5])(CC3){2|F<1>,3|C<4>,3|H<1>}	C(C[5]C[5]2O[5])(CH3)3	O[5](C[5]C[5]2C)(C[5]C[5]2H){1|Fe<10>,4|C<4>,4|F<1>}	107.6690	0.000	1	107.6690	0.000	1	107.6690	0.000	1	107.6690	0.000	1	109.2666	2.847	6906	109.2568	2.950	7569
474	490	976	0:SP3_SP3_SP3	C[5]	C	O[5]	5:2:3:4:	3:4:1:1:	4:4:	P[3]-5:O[5]-2:C[5]-3:C-4:	C[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:B[5,5]-4:	C[5](P[3]H[3]O[3]OO)(O[5]B[5,5])(C[5]O[5]O)(CC[5a]HH)	C(C[5a]N[5a,6]C[5a])(C[5]C[5]O[5]P[3])(H)2	O[5](C[5]C[5]P[3]C)(B[5,5]O[5]3)	C[5](P[3]H[3]O[3]OO)(O[5]B[5,5])(C[5]O[5]O)(CC[5a]HH){2|O<2>}	C(C[5a]N[5a,6]C[5a])(C[5]C[5]O[5]P[3])(H)2	O[5](C[5]C[5]P[3]C)(B[5,5]O[5]3){1|C<3>,1|C<4>,1|H<2>,1|O<2>,3|O<1>}	111.0860	0.000	1	111.0860	0.000	1	111.0860	0.000	1	111.0860	0.000	1	109.2666	2.847	6906	109.2568	2.950	7569