474	727	984	0:SP3_SP-NON_SP2	C[5]	C[5,6a]	Ga	3:3:4:1:	3:4:3:	4:1:1:1:	C[5,6a]-3:C[5]-3:Ga-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:Cl-1:Cl-1:Cl-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(GaCl3)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]GaH)(C[6a]C[6a]H)	Ga(C[5]C[5,6a]C[5]H)(Cl)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(GaCl3)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]GaH)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	Ga(C[5]C[5,6a]C[5]H)(Cl)3	104.4175	0.248	2	104.4175	0.062	2	104.4175	0.062	2	104.4175	0.062	2	104.4175	0.062	2	104.4175	0.062	2
474	727	989	5:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	Si[5,5]	3:3:3:1:	4:3:3:	4:4:4:	C[5,6,6a]-3:C[5,6,6a]-3:Si[5,5]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(Si[5,5]C[5,5,6]C)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]Si[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	Si[5,5](C[5,5,6]C[5,6,6a]2H)2(CSi3)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(Si[5,5]C[5,5,6]C)(H){3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]Si[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	Si[5,5](C[5,5,6]C[5,6,6a]2H)2(CSi3){4|C<3>}	97.3543	3.828	4	97.3543	14.657	4	97.3543	14.657	4	97.3543	14.657	4	97.3543	14.657	4	97.3543	14.657	4
474	727	992	0:SP3_SP2_SP3	C[5,5]	C[5,6a]	P	3:3:3:4:	4:3:3:	4:2:2:1:	C[5,6a]-3:N[5,5]-3:C[5]-3:P-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:O-2:O-2:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(PO3)	C[5,6a](C[5,5]N[5,5]C[5]P)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	P(C[5,5]C[5,6a]N[5,5]C[5])(OC)2(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(PO3){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]P)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	P(C[5,5]C[5,6a]N[5,5]C[5])(OC)2(O)	108.2450	0.000	1	108.2450	0.000	1	108.2450	0.000	1	108.2450	0.000	1	108.2450	0.000	1	112.0784	12.617	28
474	727	992	0:SP3_SP2_SP3	C[5,6,6]	C[5,6,6a]	P	3:3:4:4:	3:3:4:	4:3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:P-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[6a]-3:C[6a]-3:B-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2H)(PC[6a]2B)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]P)	P(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)2(BH3)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2H)(PC[6a]2B){8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]P){1|H<1>,8|C<3>}	P(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)2(BH3)	105.9550	0.000	1	105.9550	0.000	1	105.9550	0.000	1	105.9550	0.000	1	110.9580	50.060	2	112.0784	12.617	28
474	727	992	0:SP3_SP2_SP3	C[5,6,6]	C[5,6,6a]	P	3:3:4:4:	3:4:3:	4:3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:P-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6]-4:C[6a]-3:C[6a]-3:B-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2H)(PC[6a]2B)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6a,6a]C[5,6a,6a]2)	P(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)2(BH3)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2H)(PC[6a]2B){8|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6a,6a]C[5,6a,6a]2){1|H<1>,8|C<3>}	P(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)2(BH3)	115.9610	0.000	1	115.9610	0.000	1	115.9610	0.000	1	115.9610	0.000	1	110.9580	50.060	2	112.0784	12.617	28
474	727	992	0:SP3_SP2_SP3	C[5]	C[5,6a]	P	3:2:4:1:	3:3:4:	4:2:2:1:	C[5,6a]-3:O[5]-2:P-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:O-2:O-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(PO3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HP)	P(C[5]C[5,6a]O[5]H)(OC)2(O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(PO3)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HP){1|C<3>,1|C<4>,3|H<1>}	P(C[5]C[5,6a]O[5]H)(OC)2(O)	112.6400	0.000	1	112.6400	0.000	1	112.6400	0.000	1	112.6400	0.000	1	112.3214	11.330	25	112.0784	12.617	28
474	727	992	0:SP3_SP2_SP3	C[5]	C[5,6a]	P	3:3:4:1:	3:3:4:	4:3:3:1:	C[5,6a]-3:C[5]-3:P-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(PC[6a]2O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP)	P(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)2(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(PC[6a]2O)(H){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP){1|O<1>,2|C<3>,2|H<1>}	P(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)2(O)	108.1200	0.000	1	108.1200	0.000	1	109.1020	1.929	2	109.1020	1.929	2	112.3214	11.330	25	112.0784	12.617	28
474	727	992	0:SP3_SP2_SP3	C[5]	C[5,6a]	P	3:3:4:1:	3:3:4:	4:3:3:1:	C[5,6a]-3:C[5]-3:P-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(PC[6a]2O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HP)	P(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)2(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(PC[6a]2O)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HP){2|H<1>,3|C<3>}	P(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)2(O)	110.0840	0.000	1	110.0840	0.000	1	109.1020	1.929	2	109.1020	1.929	2	112.3214	11.330	25	112.0784	12.617	28
474	727	992	0:SP3_SP2_SP3	C[5]	C[5,6a]	P	3:3:4:1:	3:3:4:	4:3:3:2:	C[5,6a]-3:C[5]-3:P-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:S-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Pd)(PC[6a]2S)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP)	P(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)2(SPd)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Pd)(PC[6a]2S)(H){1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP){1|Pd<4>,1|C<3>,1|P<4>,2|H<1>}	P(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)2(SPd)	118.4910	0.000	1	118.4910	0.000	1	118.4910	0.000	1	118.4910	0.000	1	112.3214	11.330	25	112.0784	12.617	28
474	727	992	0:SP3_SP2_SP3	C[5]	C[5,6a]	P	3:3:4:1:	3:3:4:	4:3:3:4:	C[5,6a]-3:C[5]-3:P-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP)	P(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)2(CHHP)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2C)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP){1|C<3>,4|H<1>}	P(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)2(CHHP)	116.1210	0.000	1	116.1210	0.000	1	116.1210	0.000	1	116.1210	0.000	1	112.3214	11.330	25	112.0784	12.617	28
474	727	992	0:SP3_SP2_SP3	C[5]	C[5,6a]	P	3:3:4:1:	3:3:4:	4:4:4:1:	C[5,6a]-3:C[5]-3:P-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C-4:C-4:S-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PCCS)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP)	P(C[5]C[5,6a]C[5]H)(CCCH)2(S)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(PCCS)(H){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP){1|C<3>,1|N<3>,3|H<1>}	P(C[5]C[5,6a]C[5]H)(CCCH)2(S)	110.3360	0.000	2	110.3360	0.000	2	110.3360	0.000	2	110.3360	0.000	2	112.3214	11.330	25	112.0784	12.617	28
474	727	992	0:SP3_SP2_SP3	C[5]	C[5,6a]	P	3:3:4:1:	3:3:4:	4:4:4:2:	C[5,6a]-3:C[5]-3:P-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C-4:C-4:S-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(PCCS)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP)	P(C[5]C[5,6a]C[5]H)(CCCH)2(SPd)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(PCCS)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP){1|C<4>,2|C<3>,2|H<1>}	P(C[5]C[5,6a]C[5]H)(CCCH)2(SPd)	113.3120	0.000	1	113.3120	0.000	1	113.3120	0.000	1	113.3120	0.000	1	112.3214	11.330	25	112.0784	12.617	28
474	727	992	0:SP3_SP2_SP3	C[5]	C[5,6a]	P	3:3:4:1:	3:4:3:	4:2:2:1:	C[5,6a]-3:C[5,6]-3:P-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:O-2:O-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(PO3)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HP)(C[6a]C[6a]H)	P(C[5]C[5,6a]C[5,6]H)(OC[6a])2(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(PO3)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HP)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	P(C[5]C[5,6a]C[5,6]H)(OC[6a])2(O)	113.5780	0.000	1	113.5780	0.000	1	113.5780	0.000	1	113.5780	0.000	1	112.3214	11.330	25	112.0784	12.617	28
474	727	992	0:SP3_SP2_SP3	C[5]	C[5,6a]	P	3:3:4:1:	3:4:3:	4:3:2:1:	C[5,6a]-3:C[5,6a]-3:P-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[6a]-3:O-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])2(PC[6a]OO)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HP)(C[6a]C[6a]H)	P(C[5]C[5,6a]2H)(C[6a]C[6a]2)(OH)(O)	C[5](C[5,6a]C[5,6a]C[6a])2(PC[6a]OO)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HP)(C[6a]C[6a]H){2|H<1>,3|C<3>}	P(C[5]C[5,6a]2H)(C[6a]C[6a]2)(OH)(O)	111.9320	0.757	2	111.9320	0.572	2	111.9320	0.572	2	111.9320	0.572	2	112.3214	11.330	25	112.0784	12.617	28
474	727	992	0:SP3_SP2_SP3	C[5]	C[5,6a]	P	3:3:4:1:	3:4:3:	4:3:4:3:	C[5,6a]-3:C[5,6a]-3:P-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:B-4:N-3:	C[5](C[5,6a]C[5,6a]C[6a])2(PC[5]BN)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HP)(C[6a]C[6a]H)	P(C[5]C[5,6a]2H)(C[5]C[5]N[5])(BH3)(NCC)	C[5](C[5,6a]C[5,6a]C[6a])2(PC[5]BN)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HP)(C[6a]C[6a]H){2|H<1>,3|C<3>}	P(C[5]C[5,6a]2H)(C[5]C[5]N[5])(BH3)(NCC)	110.1310	1.011	2	110.1310	1.022	2	110.1310	1.022	2	110.1310	1.022	2	112.3214	11.330	25	112.0784	12.617	28
474	727	992	0:SP3_SP2_SP3	C[5]	C[5,6a]	P	3:3:4:1:	3:4:3:	4:3:4:4:	C[5,6a]-3:C[5,6a]-3:P-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-3:C-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])2(PC[5]CC)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HP)(C[6a]C[6a]H)	P(C[5]C[5,6a]2H)(C[5]C[5,6a]2)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])2(PC[5]CC)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HP)(C[6a]C[6a]H){2|H<1>,3|C<3>}	P(C[5]C[5,6a]2H)(C[5]C[5,6a]2)(CH3)2	109.2850	1.015	2	109.2850	1.031	2	109.2850	1.031	2	109.2850	1.031	2	112.3214	11.330	25	112.0784	12.617	28
474	727	992	0:SP3_SP2_SP3	C[5]	C[5,6a]	P	3:3:4:1:	3:4:3:	4:4:4:4:	C[5,6a]-3:C[5,6a]-3:P-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C-4:C-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])2(PC3)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HP)(C[6a]C[6a]H)	P(C[5]C[5,6a]2H)(CH3)3	C[5](C[5,6a]C[5,6a]C[6a])2(PC3)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HP)(C[6a]C[6a]H){2|H<1>,3|C<3>}	P(C[5]C[5,6a]2H)(CH3)3	111.5325	1.684	4	111.5325	2.836	4	111.5325	2.836	4	112.2748	3.648	6	112.3214	11.330	25	112.0784	12.617	28
474	727	992	0:SP3_SP2_SP3	C[5]	C[5,6a]	P	3:3:4:1:	3:4:3:	4:4:4:4:	C[5,6a]-3:C[5,6a]-3:P-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-4:C-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])2(PC[5]CC)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HP)(C[6a]C[6a]H)	P(C[5]C[5,6a]2H)2(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])2(PC[5]CC)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HP)(C[6a]C[6a]H){2|H<1>,3|C<3>}	P(C[5]C[5,6a]2H)2(CH3)2	113.7595	1.766	2	113.7595	3.118	2	113.7595	3.118	2	112.2748	3.648	6	112.3214	11.330	25	112.0784	12.617	28
474	727	992	0:SP3_SP2_SP3	C[5]	C[5,6a]	P	3:3:4:3:	3:3:4:	4:2:2:1:	C[5,6a]-3:C[5]-3:P-4:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:O-2:O-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(PO3)(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]NP)	P(C[5]C[5,6a]C[5]N)(OC[6a])2(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(PO3)(NCH){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]NP){1|C<3>,1|O<1>,2|H<1>}	P(C[5]C[5,6a]C[5]N)(OC[6a])2(O)	105.7120	0.000	1	105.7120	0.000	1	105.7120	0.000	1	105.7120	0.000	1	112.3214	11.330	25	112.0784	12.617	28
474	727	992	0:SP3_SP2_SP3	C[5]	C[5,6a]	P	3:3:4:4:	3:3:4:	4:3:3:1:	C[5,6a]-3:C[5]-3:P-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:S-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2S)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CP)	P(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)2(S)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2S)(CH3){1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CP){1|C<3>,1|P<4>,3|H<1>}	P(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)2(S)	115.4020	0.000	1	115.4020	0.000	1	115.4020	0.000	1	115.4020	0.000	1	112.3214	11.330	25	112.0784	12.617	28
474	727	992	0:SP3_SP2_SP3	C[5]	C[5,6a]	P	3:3:4:4:	3:3:4:	4:3:3:2:	C[5,6a]-3:C[5]-3:P-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[6a]-3:C[6a]-3:S-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Pd)(PC[6a]2S)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CP)	P(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)2(SPd)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Pd)(PC[6a]2S)(CH3){1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CP){1|Pd<4>,1|C<3>,1|P<4>,2|H<1>}	P(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)2(SPd)	118.7790	0.645	2	118.7790	0.416	2	118.7790	0.416	2	118.7790	0.416	2	112.3214	11.330	25	112.0784	12.617	28
474	727	996	0:SP3_SP2_SP3	C[5]	C[5,6a]	Si[4]	3:3:4:1:	3:4:3:	4:4:4:4:	C[5,6a]-3:C[5,6a]-3:Si[4]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-4:C[4]-4:C[4]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(Si[4]C[4]2C[5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Si[4]H)(C[6a]C[6a]H)	Si[4](C[5]C[5,6a]2H)2(C[4]C[4]HH)2	C[5](C[5,6a]C[5,6a]C[6a])2(Si[4]C[4]2C[5])(H){1|C<4>,6|C<3>,7|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Si[4]H)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	Si[4](C[5]C[5,6a]2H)2(C[4]C[4]HH)2{2|H<1>,8|C<3>}	111.7920	1.901	4	111.7920	3.613	4	111.7920	3.613	4	111.7920	3.613	4	111.7920	3.613	4	111.7920	3.613	4
474	727	997	5:SP3_SP2_SP3	C[5,6]	C[5,6a]	Se[5]	3:3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:Se[5]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(Se[5]C[5])	C[5,6a](C[5,6]C[6,6a]2Se[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	Se[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(Se[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[5,6a](C[5,6]C[6,6a]2Se[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	Se[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O){6|C<3>}	103.2310	0.000	1	103.2310	0.000	1	103.2310	0.000	1	103.2310	0.000	1	103.2310	0.000	1	103.2310	0.000	1
474	727	999	0:SP3_SP2_SP3	C[5,5]	C[5,6a]	N[5,5]	3:4:4:3:	4:3:3:	4:4:4:1:	C[5,6a]-3:N[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(C[5]N[5]O)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(C[5]N[5]O){2|C<4>,3|C<3>,6|H<1>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	117.8895	0.237	2	117.8895	0.056	2	117.8895	0.056	2	117.8895	0.056	2	117.8895	0.056	2	113.5730	7.657	9
474	727	999	0:SP3_SP2_SP3	C[5,5]	C[5,6a]	N[5]	4:3:4:3:	4:3:3:	4:4:4:1:	C[3,5]-4:C[5,6a]-3:N[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5]C[5]CH)(C[5]N[5]O)	C[5,6a](C[5,5]C[3,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]C[3,5]HH)(CH3)(H)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5]C[5]CH)(C[5]N[5]O){1|C<4>,4|H<1>,6|C<3>}	C[5,6a](C[5,5]C[3,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	N[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]C[3,5]HH)(CH3)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	113.8140	0.000	1	113.8140	0.000	1	113.8140	0.000	1	113.8140	0.000	1	113.8140	0.000	1	113.5730	7.657	9
474	727	999	0:SP3_SP2_SP3	C[5]	C[5a]	N[5]	3:4:4:1:	3:3:4:	4:4:4:1:	C[5a]-3:C[5]-4:N[5]-4:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:C[5]-4:C-4:H-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]2H)(N[5]C[5]CH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[5]C[5]N[5]H)	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]2H)(N[5]C[5]CH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[5]C[5]N[5]H){3|C<3>,4|H<1>,6|C<4>}	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	112.1080	0.098	2	111.4780	1.195	3	111.4780	1.195	3	111.4780	1.195	3	112.0940	2.151	6	113.5730	7.657	9
474	727	999	0:SP3_SP2_SP3	C[5]	C[5a]	N[5]	3:4:4:1:	3:3:4:	4:4:4:1:	C[5a]-3:C[5]-4:N[5]-4:H-1:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5]-4:C[5]-4:C-4:H-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]2H)(N[5]C[5]CH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[5]C[5]N[5]H)	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]2H)(N[5]C[5]CH)(H){1|N<3>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(C[5]C[5]N[5]H){3|H<1>,4|C<3>,6|C<4>}	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	110.2180	0.000	1	111.4780	1.195	3	111.4780	1.195	3	111.4780	1.195	3	112.0940	2.151	6	113.5730	7.657	9
474	727	999	0:SP3_SP2_SP3	C[5]	C[5a]	N[5]	3:4:4:1:	3:4:3:	4:4:4:1:	C[5a]-3:C[5]-4:N[5]-4:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5]-4:C-4:H-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(N[5]C[5]CH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]C)	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCHH)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(N[5]C[5]CH)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5]H)(C[5a]N[5a]C){3|C<3>,3|C<4>,4|H<1>}	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCHH)(H){3|C<3>,3|H<1>}	113.7090	0.315	2	113.7090	0.099	2	113.7090	0.099	2	113.7090	0.099	2	112.0940	2.151	6	113.5730	7.657	9
474	727	999	0:SP3_SP2_SP3	C[5]	C[5a]	N[5]	3:4:4:1:	4:3:2:	4:4:4:1:	C[5a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:C[5a]-3:S[5a]-2:	C[5]-4:C[5]-4:S-4:H-1:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(N[5]C[5]HS)(H)	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	N[5](C[5]C[5a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)(H)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)(N[5]C[5]HS)(H){1|C<4>,2|C<3>,4|H<1>}	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|S<4>,2|C<4>,5|H<1>}	N[5](C[5]C[5a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)(H){1|C<3>,1|S<2>,4|H<1>}	110.7120	0.000	1	110.7120	0.000	1	110.7120	0.000	1	110.7120	0.000	1	112.0940	2.151	6	113.5730	7.657	9
474	727	999	5:SP3_SP2_SP3	C[5,5,6]	C[5,6,6a]	N[5,5]	3:4:3:1:	3:4:3:	4:4:1:1:	C[5,6,6a]-3:N[5,5]-4:C[5,6]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H)	N[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)(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|H<1>,3|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	N[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)(H)2{2|C<3>,2|H<1>}	97.6338	0.000	1	97.6338	0.000	1	97.6338	0.000	1	97.6338	0.000	1	97.3871	0.122	2	104.5074	10.343	64
474	727	999	5:SP3_SP2_SP3	C[5,5,6]	C[5,6,6a]	N[5,5]	3:4:3:3:	3:4:3:	4:4:1:1:	C[5,6,6a]-3:N[5,5]-4:C[5,6]-3:C-3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(CN[5]O)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]C)(C[6a]C[6a]H)	N[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)(H)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(CN[5]O){2|C<3>,3|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	N[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)(H)2{2|C<3>,2|H<1>}	97.1405	0.000	1	97.1405	0.000	1	97.1405	0.000	1	97.1405	0.000	1	97.3871	0.122	2	104.5074	10.343	64
474	727	999	5:SP3_SP2_SP3	C[5,5,6]	C[5,6a]	N[5,5,6]	4:4:3:1:	4:3:3:	4:3:2:4:	C[5,5,6]-4:N[5,5,6]-4:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:Ge[5,5,6]-3:Ge[5]-2:C-4:	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(N[5,5,6]Ge[5,5,6]Ge[5]C)(C[5,6a]C[5,6a]C[6a])(H)	C[5,6a](C[5,5,6]C[5,5,6]N[5,5,6]H)(C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H)	N[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(Ge[5,5,6]C[5,6,6a]N[5,5])(Ge[5]C[5,6a])(CC3)	C[5,5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(N[5,5,6]Ge[5,5,6]Ge[5]C)(C[5,6a]C[5,6a]C[6a])(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]N[5,5,6]H)(C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H){1|Ge<3>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(Ge[5,5,6]C[5,6,6a]N[5,5])(Ge[5]C[5,6a])(CC3){1|C<4>,1|H<1>,4|C<3>}	111.0080	0.000	1	111.0080	0.000	1	111.0080	0.000	1	111.0080	0.000	1	111.0080	0.000	1	104.5074	10.343	64
474	727	999	5:SP3_SP2_SP3	C[5,5]	C[5,6a]	N[3x5]	4:3:2:1:	3:4:3:	4:4:4:1:	N[3x5]-4:C[5,6a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	B[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[3x5]O[5]H)(C[6a]C[6a]H)	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]O[5]H)(C[5,5]C[5]2C)(H)	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(O[5]C[5])(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[3x5]O[5]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]O[5]H)(C[5,5]C[5]2C)(H){2|C<3>,4|H<1>}	105.7690	0.000	1	105.7690	0.000	1	105.7690	0.000	1	105.7810	0.007	3	105.7340	0.013	4	104.5074	10.343	64
474	727	999	5:SP3_SP2_SP3	C[5,5]	C[5,6a]	N[3x5]	4:3:2:1:	3:4:3:	4:4:4:1:	N[3x5]-4:C[5,6a]-3:S[5]-2:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	B[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(S[5]C[5])(H)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[3x5]S[5]H)(C[6a]C[6a]H)	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]S[5]H)(C[5,5]C[5]2H)(H)	C[5,5](N[3x5]B[5,5]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(S[5]C[5])(H){2|O<2>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[3x5]S[5]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]S[5]H)(C[5,5]C[5]2H)(H){1|O<1>,2|C<3>,2|H<1>}	105.7870	0.116	2	105.7870	0.013	2	105.7870	0.013	2	105.7810	0.007	3	105.7340	0.013	4	104.5074	10.343	64
474	727	999	5:SP3_SP2_SP3	C[5,5]	C[5,6a]	N[3x5]	4:3:2:4:	3:4:3:	4:4:4:1:	N[3x5]-4:C[5,6a]-3:O[5]-2:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	B[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	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[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[3x5]O[5]C)(C[6a]C[6a]H)	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]O[5]C)(C[5,5]C[5]2C)(H)	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[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[3x5]O[5]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	N[3x5](B[5,5]C[5,6a]O[5]O)(C[5,5]C[5,6a]O[5]C)(C[5,5]C[5]2C)(H){2|C<3>,4|H<1>}	105.5930	0.000	1	105.5930	0.000	1	105.5930	0.000	1	105.5930	0.000	1	105.7340	0.013	4	104.5074	10.343	64
474	727	999	5:SP3_SP2_SP3	C[5,5]	C[5,6a]	N[5,5]	3:4:2:1:	4:3:3:	4:4:4:1:	C[5,6a]-3:N[5,5]-4:O[5]-2:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:B[5]-4:C[5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5]C[5]H)(O[5]C[5])(H)	C[5,6a](C[5,5]N[5,5]O[5]H)(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	N[5,5](C[5,5]C[5,6a]O[5]H)(B[5]C[5,6a]OO)(C[5]C[5]CH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5]C[5]H)(O[5]C[5])(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[5,6a](C[5,5]N[5,5]O[5]H)(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	N[5,5](C[5,5]C[5,6a]O[5]H)(B[5]C[5,6a]OO)(C[5]C[5]CH)(H){2|C<3>,2|H<1>}	104.2410	0.000	2	104.2410	0.000	2	104.2410	0.000	2	104.2410	0.000	2	105.0915	0.783	8	104.5074	10.343	64
474	727	999	5:SP3_SP2_SP3	C[5,5]	C[5,6a]	N[5,5]	3:4:3:1:	3:4:3:	4:4:4:1:	C[5,6a]-3:N[5,5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	B[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]H)(N[5]C[5]H)(H)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[5,5]N[5]H)(C[6a]C[6a]H)	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]H)(C[5]C[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]H)(N[5]C[5]H)(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[5,5]N[5]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]H)(C[5]C[5]HH)(H){1|H<1>,2|C<3>,4|C<4>}	106.1330	0.000	1	106.1013	0.001	3	105.7630	0.458	4	105.7630	0.458	4	105.0915	0.783	8	104.5074	10.343	64
474	727	999	5:SP3_SP2_SP3	C[5,5]	C[5,6a]	N[5,5]	3:4:3:1:	3:4:3:	4:4:4:1:	C[5,6a]-3:N[5,5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	B[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]H)(N[5]C[5]H)(H)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[5,5]N[5]H)(C[6a]C[6a]H)	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]H)(C[5]C[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]H)(N[5]C[5]H)(H){2|C<3>,2|O<2>,5|H<1>}	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[5,5]N[5]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]H)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,3|H<1>}	106.0855	0.012	2	106.1013	0.001	3	105.7630	0.458	4	105.7630	0.458	4	105.0915	0.783	8	104.5074	10.343	64
474	727	999	5:SP3_SP2_SP3	C[5,5]	C[5,6a]	N[5,5]	3:4:3:1:	3:4:3:	4:4:4:1:	C[5,6a]-3:N[5,5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	B[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]H)(N[5]C[6a]C[5])(H)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[5,5]N[5]H)(C[6a]C[6a]H)	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]H)(C[5]C[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]H)(N[5]C[6a]C[5])(H){2|O<2>,4|C<3>,5|H<1>}	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[5,5]N[5]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]H)(C[5]C[5]HH)(H){2|C<4>,2|H<1>,3|C<3>}	104.7480	0.000	1	104.7480	0.000	1	105.7630	0.458	4	105.7630	0.458	4	105.0915	0.783	8	104.5074	10.343	64
474	727	999	5:SP3_SP2_SP3	C[5,5]	C[5,6a]	N[5,5]	3:4:3:4:	3:4:3:	4:4:3:1:	C[5,6a]-3:N[5,5]-4:N[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	B[5,5]-4:C[5,5]-4:N[5]-3:H-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]N[5]H)(N[5]C[6a]C[5])(CH3)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[5,5]N[5]C)(C[6a]C[6a]H)	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]C)(N[5]C[5]C)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]N[5]H)(N[5]C[6a]C[5])(CH3){1|C<4>,1|H<1>,1|S<1>,2|O<2>,4|C<3>}	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[5,5]N[5]C)(C[6a]C[6a]H){1|N<3>,2|O<2>,3|C<3>,3|H<1>}	N[5,5](B[5,5]C[5,6a]O[5]2)(C[5,5]C[5,6a]N[5]C)(N[5]C[5]C)(H){1|S<1>,2|C<4>,3|C<3>}	104.5990	0.610	2	104.5990	0.372	2	104.5990	0.372	2	104.5990	0.372	2	105.0915	0.783	8	104.5074	10.343	64
474	727	999	5:SP3_SP2_SP3	C[5]	C[5,5a]	N[5]	3:4:1:1:	3:3:4:	4:4:1:1:	C[5,5a]-3:N[5]-4:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]HH)(H)2	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]N[5a]N)(C[5]N[5]HH)	N[5](C[5]C[5,5a]HH)2(H)2	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]HH)(H)2{1|N<3>,2|H<1>,2|N<2>}	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]N[5a]N)(C[5]N[5]HH){1|C<4>,4|H<1>}	N[5](C[5]C[5,5a]HH)2(H)2{1|C<3>,1|N<3>}	100.7440	0.000	1	100.7440	0.000	1	100.7440	0.000	1	100.3163	0.366	2	100.3163	0.366	2	104.5074	10.343	64
474	727	999	5:SP3_SP2_SP3	C[5]	C[5,5a]	N[5]	3:4:1:1:	3:3:4:	4:4:1:1:	C[5,5a]-3:N[5]-4:H-1:H-1:	C[5,5a]-3:N[5a]-3:C[5]-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]HH)(H)2	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]N[5a]C)(C[5]N[5]HH)	N[5](C[5]C[5,5a]HH)2(H)2	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]N[5a]C)(C[5]N[5]HH){1|N<2>,4|H<1>}	N[5](C[5]C[5,5a]HH)2(H)2{1|C<3>,1|N<3>}	99.8886	0.000	1	99.8886	0.000	1	99.8886	0.000	1	100.3163	0.366	2	100.3163	0.366	2	104.5074	10.343	64
474	727	999	5:SP3_SP2_SP3	C[5]	C[5,6a]	N[5,5]	3:4:1:1:	3:4:3:	4:4:4:4:	C[5,6a]-3:N[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]C)(H)2	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5]N[5,5]HH)(C[6a]C[6a]H)	N[5,5](B[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]HH)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]C)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5]N[5,5]HH)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	N[5,5](B[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]HH)(CCHH){1|C<4>,2|C<3>,3|H<1>}	104.1370	0.000	1	104.0090	0.033	2	104.0090	0.033	2	103.1562	1.040	4	103.1562	1.040	4	104.5074	10.343	64
474	727	999	5:SP3_SP2_SP3	C[5]	C[5,6a]	N[5,5]	3:4:1:1:	3:4:3:	4:4:4:4:	C[5,6a]-3:N[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	B[5,5]-4:C[5]-4:C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]C)(H)2	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5]N[5,5]HH)(C[6a]C[6a]H)	N[5,5](B[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]HH)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]C)(H)2{2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5]N[5,5]HH)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	N[5,5](B[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5]HH)(CCHH){2|C<3>,2|C<4>,2|H<1>}	103.8810	0.000	1	104.0090	0.033	2	104.0090	0.033	2	103.1562	1.040	4	103.1562	1.040	4	104.5074	10.343	64
474	727	999	5:SP3_SP2_SP3	C[5]	C[5,6a]	N[5,5]	3:4:1:1:	3:4:3:	4:4:4:4:	C[5,6a]-3:N[5,5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-4:C[5]-4:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]3)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5,5]HH)(C[6a]C[6a]H)	N[5,5](C[5]C[5,6a]HH)2(C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]3)(H)2{2|C<4>,3|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5,5]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	N[5,5](C[5]C[5,6a]HH)2(C[5]C[5]CH)(C[5]C[5]HH){2|C<3>,4|H<1>}	102.3035	0.424	2	102.3035	0.179	2	102.3035	0.179	2	103.1562	1.040	4	103.1562	1.040	4	104.5074	10.343	64
474	727	999	5:SP3_SP2_SP3	C[5]	C[5,6a]	N[5]	3:4:1:1:	3:3:4:	4:4:1:1:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	B[5]-4:C[5]-4:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]HH)(H)2	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HH)	N[5](B[5]C[5,6a]HH)(C[5]C[5,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]HH)(H)2{2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,6|H<1>}	N[5](B[5]C[5,6a]HH)(C[5]C[5,6a]HH)(H)2{2|C<3>}	104.5190	0.000	1	104.5190	0.000	1	104.5190	0.000	1	104.5190	0.000	1	104.7852	10.579	43	104.5074	10.343	64
474	727	999	5:SP3_SP2_SP3	C[5]	C[5,6a]	N[5]	3:4:1:1:	3:3:4:	4:4:4:4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	B[5,5]-4:C[5]-4:C-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,5]CC)(H)2	C[5,6a](C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH)	N[5](B[5,5]C[5,6a]3)(C[5]C[5,6a]HH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,5]CC)(H)2{1|H<1>,4|C<3>}	C[5,6a](C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH){3|C<3>,4|C<4>}	N[5](B[5,5]C[5,6a]3)(C[5]C[5,6a]HH)(CH3)2{6|C<3>}	105.4010	0.000	1	105.4010	0.000	1	105.4195	0.001	2	106.4198	11.402	22	104.7852	10.579	43	104.5074	10.343	64
474	727	999	5:SP3_SP2_SP3	C[5]	C[5,6a]	N[5]	3:4:1:1:	3:3:4:	4:4:4:4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	B[5,5]-4:C[5]-4:C-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,5]CC)(H)2	C[5,6a](C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH)	N[5](B[5,5]C[5,6a]O[5]2)(C[5]C[5,6a]HH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,5]CC)(H)2{1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	N[5](B[5,5]C[5,6a]O[5]2)(C[5]C[5,6a]HH)(CH3)2{2|C<3>,2|C<4>}	105.4380	0.000	1	105.4380	0.000	1	105.4195	0.001	2	106.4198	11.402	22	104.7852	10.579	43	104.5074	10.343	64
474	727	999	5:SP3_SP2_SP3	C[5]	C[5,6a]	N[5]	3:4:1:1:	3:3:4:	4:4:4:4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	B[5,6]-4:C[5]-4:C-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,6]CC)(H)2	C[5,6a](C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH)	N[5](B[5,6]C[5,6a]O[6]2)(C[5]C[5,6a]HH)(CC[5]HH)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,6]CC)(H)2{1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	N[5](B[5,6]C[5,6a]O[6]2)(C[5]C[5,6a]HH)(CC[5]HH)(CH3){2|B<4>,2|C<3>}	105.3010	0.371	2	105.3010	0.137	2	105.2520	0.056	5	106.4198	11.402	22	104.7852	10.579	43	104.5074	10.343	64
474	727	999	5:SP3_SP2_SP3	C[5]	C[5,6a]	N[5]	3:4:1:1:	3:3:4:	4:4:4:4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	B[5,6]-4:C[5]-4:C-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,6]CC)(H)2	C[5,6a](C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH)	N[5](B[5,6]C[5,6a]O[6]2)(C[5]C[5,6a]HH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,6]CC)(H)2{1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	N[5](B[5,6]C[5,6a]O[6]2)(C[5]C[5,6a]HH)(CH3)2{1|B<3>,1|B<4>,2|C<3>}	105.3325	0.025	2	105.2193	0.039	3	105.2520	0.056	5	106.4198	11.402	22	104.7852	10.579	43	104.5074	10.343	64
474	727	999	5:SP3_SP2_SP3	C[5]	C[5,6a]	N[5]	3:4:1:1:	3:3:4:	4:4:4:4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	B[5,6]-4:C[5]-4:C-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,6]CC)(H)2	C[5,6a](C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH)	N[5](B[5,6]C[5,6a]O[6]2)(C[5]C[5,6a]HH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,6]CC)(H)2{1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	N[5](B[5,6]C[5,6a]O[6]2)(C[5]C[5,6a]HH)(CH3)2{2|C<3>,2|C<4>}	104.9930	0.000	1	105.2193	0.039	3	105.2520	0.056	5	106.4198	11.402	22	104.7852	10.579	43	104.5074	10.343	64
474	727	999	5:SP3_SP2_SP3	C[5]	C[5,6a]	N[5]	3:4:1:1:	3:3:4:	4:4:4:4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	B[5,6a]-4:C[5]-4:C-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,6a]CC)(H)2	C[5,6a](C[5,6a]B[5,6a]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH)	N[5](B[5,6a]C[5,6a]O[6a]2)(C[5]C[5,6a]HH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5,6a]CC)(H)2{1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]B[5,6a]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	N[5](B[5,6a]C[5,6a]O[6a]2)(C[5]C[5,6a]HH)(CH3)2{2|B<3>,2|C<3>}	104.6380	0.143	3	104.6380	0.020	3	104.6380	0.020	3	106.4198	11.402	22	104.7852	10.579	43	104.5074	10.343	64
474	727	999	5:SP3_SP2_SP3	C[5]	C[5,6a]	N[5]	3:4:1:1:	3:3:4:	4:4:4:4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	B[5]-4:C[5]-4:C-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HH)	N[5](B[5]C[5,6a]Cl2)(C[5]C[5,6a]HH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(H)2{2|Cl<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HH){2|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	N[5](B[5]C[5,6a]Cl2)(C[5]C[5,6a]HH)(CH3)2{2|C<3>}	104.1430	0.000	1	104.1430	0.000	1	104.1430	0.000	1	106.4198	11.402	22	104.7852	10.579	43	104.5074	10.343	64
474	727	999	5:SP3_SP2_SP3	C[5]	C[5,6a]	N[5]	3:4:1:1:	3:3:4:	4:4:4:4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:B-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]BC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(BH3)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]BC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|B<4>,1|C<3>,2|C<4>,3|H<1>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(BH3)(CH3){2|C<3>}	102.8290	0.000	1	102.8290	0.000	1	103.4600	0.330	3	106.4198	11.402	22	104.7852	10.579	43	104.5074	10.343	64
474	727	999	5:SP3_SP2_SP3	C[5]	C[5,6a]	N[5]	3:4:1:1:	3:3:4:	4:4:4:4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:B-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]BC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	N[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]HH)(BH3)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]BC)(H)2{1|Si<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|Si<4>,1|B<4>,1|C<3>,1|C<4>,3|H<1>}	N[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]HH)(BH3)(CH3){2|C<3>}	103.7755	0.250	2	103.7755	0.062	2	103.4600	0.330	3	106.4198	11.402	22	104.7852	10.579	43	104.5074	10.343	64
474	727	999	5:SP3_SP2_SP3	C[5]	C[5,6a]	N[5]	3:4:1:1:	3:3:4:	4:4:4:4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,3|C<4>,3|H<1>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CH3)2{2|C<3>}	99.6682	0.000	1	99.6682	0.000	1	99.6682	0.000	1	106.4198	11.402	22	104.7852	10.579	43	104.5074	10.343	64
474	727	999	5:SP3_SP2_SP3	C[5]	C[5,6a]	N[5]	3:4:1:1:	3:3:4:	4:4:4:4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	Ga[5,5]-4:C[5]-4:C-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Ga[5,5]CC)(H)2	C[5,6a](C[5,6a]Ga[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH)	N[5](Ga[5,5]C[5,5a]2C[5,6a])(C[5]C[5,6a]HH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Ga[5,5]CC)(H)2{1|H<1>,4|C<3>}	C[5,6a](C[5,6a]Ga[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH){3|C<3>,4|C<4>}	N[5](Ga[5,5]C[5,5a]2C[5,6a])(C[5]C[5,6a]HH)(CH3)2{6|C<3>}	111.2960	0.110	2	111.2960	0.012	2	110.9393	0.174	4	106.4198	11.402	22	104.7852	10.579	43	104.5074	10.343	64
474	727	999	5:SP3_SP2_SP3	C[5]	C[5,6a]	N[5]	3:4:1:1:	3:3:4:	4:4:4:4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	Ga[5,5]-4:C[5]-4:C-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Ga[5,5]CC)(H)2	C[5,6a](C[5,6a]Ga[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH)	N[5](Ga[5,5]C[5,6a]3)(C[5]C[5,6a]HH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Ga[5,5]CC)(H)2{1|H<1>,4|C<3>}	C[5,6a](C[5,6a]Ga[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH){3|C<3>,4|C<4>}	N[5](Ga[5,5]C[5,6a]3)(C[5]C[5,6a]HH)(CH3)2{6|C<3>}	110.5825	0.029	2	110.5825	0.001	2	110.9393	0.174	4	106.4198	11.402	22	104.7852	10.579	43	104.5074	10.343	64
474	727	999	5:SP3_SP2_SP3	C[5]	C[5,6a]	N[5]	3:4:1:1:	3:3:4:	4:4:4:4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	Ga[5]-4:C[5]-4:C-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Ga[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]Ga[5])(C[6a]C[6a]H)(C[5]N[5]HH)	N[5](Ga[5]C[5,6a]C[6a]2)(C[5]C[5,6a]HH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Ga[5]CC)(H)2{1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Ga[5])(C[6a]C[6a]H)(C[5]N[5]HH){3|C<3>,4|C<4>}	N[5](Ga[5]C[5,6a]C[6a]2)(C[5]C[5,6a]HH)(CH3)2{6|C<3>}	109.5290	0.000	1	109.5290	0.000	1	109.9285	0.319	2	106.4198	11.402	22	104.7852	10.579	43	104.5074	10.343	64
474	727	999	5:SP3_SP2_SP3	C[5]	C[5,6a]	N[5]	3:4:1:1:	3:3:4:	4:4:4:4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	Ga[5]-4:C[5]-4:C-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Ga[5]CC)(H)2	C[5,6a](C[5,6a]C[6a]Ga[5])(C[6a]C[6a]H)(C[5]N[5]HH)	N[5](Ga[5]C[5,6a]Cl2)(C[5]C[5,6a]HH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Ga[5]CC)(H)2{2|Cl<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Ga[5])(C[6a]C[6a]H)(C[5]N[5]HH){2|Cl<1>,1|C<3>,4|C<4>}	N[5](Ga[5]C[5,6a]Cl2)(C[5]C[5,6a]HH)(CH3)2{2|C<3>}	110.3280	0.000	1	110.3280	0.000	1	109.9285	0.319	2	106.4198	11.402	22	104.7852	10.579	43	104.5074	10.343	64
474	727	999	5:SP3_SP2_SP3	C[5]	C[5,6a]	N[5]	3:4:1:1:	3:3:4:	4:4:4:4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	In[5,5]-4:C[5]-4:C-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]In[5,5]CC)(H)2	C[5,6a](C[5,6a]In[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH)	N[5](In[5,5]C[5,6a]3)(C[5]C[5,6a]HH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]In[5,5]CC)(H)2{1|H<1>,4|C<3>}	C[5,6a](C[5,6a]In[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH){3|C<3>,4|C<4>}	N[5](In[5,5]C[5,6a]3)(C[5]C[5,6a]HH)(CH3)2{6|C<3>}	112.4170	0.000	1	112.4170	0.000	1	112.4170	0.000	1	106.4198	11.402	22	104.7852	10.579	43	104.5074	10.343	64
474	727	999	5:SP3_SP2_SP3	C[5]	C[5,6a]	N[5]	3:4:1:1:	3:3:4:	7:4:4:4:	C[5,6a]-3:N[5]-4:H-1:H-1:	C[5,5,6a]-3:C[6a]-3:C[5]-4:	Nb[5,5]-7:C[5]-4:C-4:C-4:	C[5](C[5,6a]C[5,5,6a]C[6a])(N[5]Nb[5,5]CC)(H)2	C[5,6a](C[5,5,6a]C[5,6a]Nb[5,5])(C[6a]C[6a]H)(C[5]N[5]HH)	N[5](Nb[5,5]C[5,5,6a]N[5]Cl4)(C[5]C[5,6a]HH)(CH3)2	C[5](C[5,6a]C[5,5,6a]C[6a])(N[5]Nb[5,5]CC)(H)2{4|Cl<1>,1|H<1>,1|N<4>,2|C<3>}	C[5,6a](C[5,5,6a]C[5,6a]Nb[5,5])(C[6a]C[6a]H)(C[5]N[5]HH){4|Cl<1>,1|C<3>,1|H<1>,1|N<4>,3|C<4>}	N[5](Nb[5,5]C[5,5,6a]N[5]Cl4)(C[5]C[5,6a]HH)(CH3)2{2|C<3>,3|C<4>}	108.2165	0.098	2	108.2165	0.010	2	108.2165	0.010	2	108.2165	0.010	2	104.7852	10.579	43	104.5074	10.343	64
474	727	999	5:SP3_SP2_SP3	C[5]	C[5,6a]	N[5]	3:4:2:1:	3:3:4:	3:4:4:4:	C[5,6a]-3:N[5]-4:O-2:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(OH)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]HO)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HO)(CH3)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(OH)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]HO){1|H<1>,2|C<4>,3|C<3>}	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HO)(CH3)2{1|H<1>,3|C<3>}	101.6035	0.209	2	101.6035	0.044	2	101.6035	0.044	2	101.6035	0.044	2	104.7852	10.579	43	104.5074	10.343	64
474	727	999	5:SP3_SP2_SP3	C[5]	C[5,6a]	N[5]	3:4:3:1:	3:4:3:	3:4:4:4:	C[5,6a]-3:N[5]-4:C[5]-3:H-1:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(C[5]C[5]2)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(CH3)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(C[5]C[5]2)(H){1|H<1>,2|C<4>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[5]H)(CH3)2{1|H<1>,5|C<3>}	101.8415	0.238	2	101.8415	0.057	2	101.8415	0.057	2	101.7295	0.081	4	104.7852	10.579	43	104.5074	10.343	64
474	727	999	5:SP3_SP2_SP3	C[5]	C[5,6a]	N[5]	3:4:3:1:	3:4:3:	3:4:4:4:	C[5,6a]-3:N[5]-4:C[6]-3:H-1:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(C[6]C[6]2)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6]N[5]H)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6]H)(CH3)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(C[6]C[6]2)(H){1|H<1>,2|C<4>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6]N[5]H)(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6]H)(CH3)2{1|H<1>,5|C<3>}	101.8770	0.000	1	101.6175	0.135	2	101.6175	0.135	2	101.7295	0.081	4	104.7852	10.579	43	104.5074	10.343	64
474	727	999	5:SP3_SP2_SP3	C[5]	C[5,6a]	N[5]	3:4:3:1:	3:4:3:	3:4:4:4:	C[5,6a]-3:N[5]-4:C[6]-3:H-1:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(C[6]C[6]2)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6]N[5]H)(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6]H)(CH3)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(C[6]C[6]2)(H){1|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6]N[5]H)(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6]H)(CH3)2{1|H<1>,5|C<3>}	101.3580	0.000	1	101.6175	0.135	2	101.6175	0.135	2	101.7295	0.081	4	104.7852	10.579	43	104.5074	10.343	64
474	727	999	5:SP3_SP2_SP3	C[5]	C[5,6a]	N[5]	3:4:4:1:	3:3:4:	4:4:4:4:	C[5,6a]-3:N[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	B[5]-4:C[5]-4:C-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(CH3)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH)	N[5](B[5]C[5,6a]C[6]2)(C[5]C[5,6a]CH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(CH3)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,2|H<1>,4|C<4>}	N[5](B[5]C[5,6a]C[6]2)(C[5]C[5,6a]CH)(CH3)2{2|C<3>,2|H<1>,4|C<4>}	104.1100	0.000	1	104.1100	0.000	1	103.8490	0.154	6	103.3957	0.836	8	104.7852	10.579	43	104.5074	10.343	64
474	727	999	5:SP3_SP2_SP3	C[5]	C[5,6a]	N[5]	3:4:4:1:	3:3:4:	4:4:4:4:	C[5,6a]-3:N[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	B[5]-4:C[5]-4:C-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(CH3)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH)	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]CH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(CH3)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH){2|C<4>,2|H<1>,3|C<3>}	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]CH)(CH3)2{6|C<3>}	104.0925	0.342	2	104.0925	0.117	2	103.8490	0.154	6	103.3957	0.836	8	104.7852	10.579	43	104.5074	10.343	64
474	727	999	5:SP3_SP2_SP3	C[5]	C[5,6a]	N[5]	3:4:4:1:	3:3:4:	4:4:4:4:	C[5,6a]-3:N[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	B[5]-4:C[5]-4:C-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(CH3)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH)	N[5](B[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(CH3)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH){2|C<3>,2|C<4>,3|H<1>}	N[5](B[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(CH3)2{4|C<3>}	104.0150	0.000	1	104.0150	0.000	1	103.8490	0.154	6	103.3957	0.836	8	104.7852	10.579	43	104.5074	10.343	64
474	727	999	5:SP3_SP2_SP3	C[5]	C[5,6a]	N[5]	3:4:4:1:	3:3:4:	4:4:4:4:	C[5,6a]-3:N[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	B[5]-4:C[5]-4:C-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(CH3)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH)	N[5](B[5]C[5,6a]Cl2)(C[5]C[5,6a]CH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]CC)(CH3)(H){2|Cl<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH){2|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	N[5](B[5]C[5,6a]Cl2)(C[5]C[5,6a]CH)(CH3)2{2|C<3>}	103.3920	0.151	2	103.3920	0.023	2	103.8490	0.154	6	103.3957	0.836	8	104.7852	10.579	43	104.5074	10.343	64
474	727	999	5:SP3_SP2_SP3	C[5]	C[5,6a]	N[5]	3:4:4:1:	3:3:4:	4:4:4:4:	C[5,6a]-3:N[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:B-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]BC)(CH3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(BH3)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]BC)(CH3)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|B<4>,1|C<3>,1|C<4>,4|H<1>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(BH3)(CH3){2|C<3>}	101.7610	0.000	1	101.7610	0.000	1	101.7610	0.000	1	103.3957	0.836	8	104.7852	10.579	43	104.5074	10.343	64
474	727	999	5:SP3_SP2_SP3	C[5]	C[5,6a]	N[5]	3:4:4:1:	3:3:4:	4:4:4:4:	C[5,6a]-3:N[5]-4:C-4:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:C-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(CCHH)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(CH3)2{2|C<3>}	102.3110	0.000	1	102.3110	0.000	1	102.3110	0.000	1	103.3957	0.836	8	104.7852	10.579	43	104.5074	10.343	64
474	727	999	5:SP3_SP2_SP3	C[5]	C[5,6a]	N[5]	3:4:4:1:	3:4:3:	4:4:4:4:	C[5,6a]-3:N[5]-4:Si-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5]-4:B-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]BC)(SiC3)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]SiH)(C[6a]C[6a]H)	N[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]HH)(BH3)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]BC)(SiC3)(H){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]SiH)(C[6a]C[6a]H){1|B<4>,1|C<3>,1|C<4>,4|H<1>}	N[5](C[5]C[5,6a]SiH)(C[5]C[5,6a]HH)(BH3)(CH3){2|C<3>}	102.1980	0.625	2	102.1980	0.391	2	102.1980	0.391	2	102.1980	0.391	2	104.7852	10.579	43	104.5074	10.343	64
474	727	999	5:SP3_SP2_SP3	C[5]	C[5,6a]	N[5]	3:4:4:4:	3:3:4:	4:4:1:1:	C[5,6a]-3:N[5]-4:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]HH)(CCHH)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	N[5](C[5]C[5,6a]CC)2(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]HH)(CCHH)2{1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[5,6a]CC)2(H)2{2|C<3>}	100.9450	0.076	2	100.9450	0.006	2	100.9450	0.006	2	100.9450	0.006	2	104.7852	10.579	43	104.5074	10.343	64
474	727	999	6:SP3_SP2_SP3	C[5,5,6]	C[5a,6]	N[5,5,6,6]	4:3:4:4:	4:3:3:	4:4:4:4:	N[5,5,6,6]-4:C[5a,6]-3:C[5,5,6]-4:C-4:	C[5,5,6]-4:C[5a,6]-3:N[5a]-3:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,5,6](N[5,5,6,6]C[5,6]2C[6])(C[5a,6]C[5a,6]N[5a])(C[5,5,6]C[5,6]2O)(CH3)	C[5a,6](C[5,5,6]N[5,5,6,6]C[5,5,6]C)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	N[5,5,6,6](C[5,5,6]C[5,5,6]C[5a,6]C)(C[5,6]C[5,6]HH)2(C[6]C[6]HH)	C[5,5,6](N[5,5,6,6]C[5,6]2C[6])(C[5a,6]C[5a,6]N[5a])(C[5,5,6]C[5,6]2O)(CH3){10|H<1>,2|C<3>,2|C<4>}	C[5a,6](C[5,5,6]N[5,5,6,6]C[5,5,6]C)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|O<2>,2|C<3>,2|H<1>,5|C<4>}	N[5,5,6,6](C[5,5,6]C[5,5,6]C[5a,6]C)(C[5,6]C[5,6]HH)2(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	105.0110	0.000	1	105.0110	0.000	1	105.0110	0.000	1	105.0110	0.000	1	105.0110	0.000	1	105.0110	0.000	1
474	730	818	0:SP3_SP2_SP3	C[5]	As	C[5]	3:3:3:1:	4:4:4:	4:3:4:	C[5]-3:C[5]-3:As-3:H-1:	C[5]-4:C[5]-4:C[5]-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(AsC[5]2)(H)	As(C[5]C[5]2H)3	C[5](C[5]C[5]AsH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(AsC[5]2)(H){2|C<4>}	As(C[5]C[5]2H)3	C[5](C[5]C[5]AsH)(C[5]C[5]C)(CH3){2|C<4>}	109.5243	7.778	6	109.5243	60.497	6	109.5243	60.497	6	109.5243	60.497	6	109.5243	60.497	6	109.5243	60.497	6
474	730	951	0:SP3_SP-NON_SP3	C[5]	As	H	3:3:3:1:	4:4:4:	4:	C[5]-3:C[5]-3:As-3:H-1:	C[5]-4:C[5]-4:C[5]-4:	C[5]-4:	C[5](C[5]C[5]C)2(AsC[5]2)(H)	As(C[5]C[5]2H)3	H(C[5]C[5]2As)	C[5](C[5]C[5]C)2(AsC[5]2)(H){2|C<4>}	As(C[5]C[5]2H)3	H(C[5]C[5]2As)	110.9343	3.212	3	110.9343	10.316	3	110.9343	10.316	3	110.9343	10.316	3	110.9343	10.316	3	110.9343	10.316	3
474	742	818	5:SP3_SP2_SP3	C[5]	B[4,5]	C[5]	4:3:4:4:	3:3:3:4:	3:4:4:	B[4,5]-4:C[5]-3:C-4:C-4:	S[4,5]-3:C[4]-3:C[6a]-3:C[5]-4:	C[5]-3:C[5]-4:C-4:	C[5](B[4,5]S[4,5]C[6a]C[4])(C[5]C[5]C)(CH3)2	B[4,5](S[4,5]C[4]C[5])(C[4]C[6a]C[4])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5]S[4,5]C[6a])(C[5]B[4,5]CC)(CH3)	C[5](B[4,5]S[4,5]C[6a]C[4])(C[5]C[5]C)(CH3)2{5|C<3>}	B[4,5](S[4,5]C[4]C[5])(C[4]C[6a]C[4])(C[6a]C[6a]2)(C[5]C[5]CC){2|C<4>,2|F<1>,5|C<3>}	C[5](C[5]S[4,5]C[6a])(C[5]B[4,5]CC)(CH3){5|C<3>}	108.2820	0.000	1	108.2820	0.000	1	108.2820	0.000	1	108.2820	0.000	1	108.2820	0.000	1	108.2820	0.000	1
474	762	762	0:SP3_SP2_SP2	C[5,3x6]	C[6]	C[6,6]	4:3:3:3:	4:3:1:	4:4:1:	C[5,5,3x6]-4:C[5,6]-3:C[6,6]-3:C[6]-3:	C[5,3x6]-4:C[6,6a]-3:O-1:	C[5,3x6]-4:C[3x6]-4:O-1:	C[5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]O)(C[5,6]C[5]C[6])(C[6,6]C[3x6]O)(C[6]C[6,6a]O)	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[3x6]C[6,6]2C)(O)	C[5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]O)(C[5,6]C[5]C[6])(C[6,6]C[3x6]O)(C[6]C[6,6a]O){2|H<1>,3|C<3>,7|C<4>}	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|C<3>,2|O<1>,5|C<4>}	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[3x6]C[6,6]2C)(O){1|C<3>,2|H<1>,3|O<1>,4|C<4>}	108.2380	0.000	1	108.2380	0.000	1	108.2380	0.000	1	108.2380	0.000	1	107.9297	0.408	3	110.6358	8.899	24
474	762	762	0:SP3_SP2_SP2	C[5,3x6]	C[6]	C[6,6]	4:4:3:3:	4:3:1:	4:4:1:	C[5,5,3x6]-4:C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,3x6]-4:C[6,6a]-3:O-1:	C[5,3x6]-4:C[3x6]-4:O-1:	C[5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]O)(C[5,6]C[5]C[6]H)(C[6,6]C[3x6]O)(C[6]C[6,6a]O)	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[3x6]C[6,6]2C)(O)	C[5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]O)(C[5,6]C[5]C[6]H)(C[6,6]C[3x6]O)(C[6]C[6,6a]O){2|H<1>,3|C<3>,7|C<4>}	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O){1|O<1>,1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[3x6]C[6,6]2C)(O){1|C<3>,1|O<2>,2|O<1>,3|H<1>,4|C<4>}	107.7755	0.821	2	107.7755	0.674	2	107.7755	0.674	2	107.7755	0.674	2	107.9297	0.408	3	110.6358	8.899	24
474	762	762	0:SP3_SP2_SP2	C[5,6,6]	C[6]	C[6]	4:2:3:3:	4:3:1:	4:3:1:	C[5,5,6]-4:O[5,6]-2:C[6]-3:C[6]-3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6](C[5,5,6]C[5,5]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]H)2	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]C)(H)	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]C)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]H)2{1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]C)(H){2|C<3>,3|C<4>,3|H<1>}	111.8040	0.231	2	111.7560	0.033	3	111.7560	0.033	3	111.7560	0.033	3	111.2136	0.585	5	110.6358	8.899	24
474	762	762	0:SP3_SP2_SP2	C[5,6,6]	C[6]	C[6]	4:2:3:3:	4:3:1:	4:3:1:	C[5,5,6]-4:O[5,6]-2:C[6]-3:C[6]-3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6](C[5,5,6]C[5,5]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]H)2	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]C)(H)	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]C)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]H)2{1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]C)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]C)(H){2|C<3>,3|C<4>,3|H<1>}	111.6600	0.000	1	111.7560	0.033	3	111.7560	0.033	3	111.7560	0.033	3	111.2136	0.585	5	110.6358	8.899	24
474	762	762	0:SP3_SP2_SP2	C[5,6,6]	C[6]	C[6]	4:3:3:2:	4:3:1:	4:3:1:	C[5,6,6]-4:C[6]-3:C[6]-3:O[5]-2:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6](C[5,6,6]C[3,6]2O[5])(C[6]C[6]H)2(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[3,6]H)(H)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[3,6]H)(H)	C[5,6,6](C[5,6,6]C[3,6]2O[5])(C[6]C[6]H)2(O[5]C[5]){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[3,6]H)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[3,6]H)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	110.5800	0.000	1	110.5800	0.000	1	110.5800	0.000	1	110.5800	0.000	1	111.2136	0.585	5	110.6358	8.899	24
474	762	762	0:SP3_SP2_SP2	C[5,6,6]	C[6]	C[6]	4:3:3:3:	4:3:1:	4:3:1:	C[5,6]-4:C[5,6]-3:C[6]-3:C[6]-3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:Cl-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]Cl)(C[6]C[6]H)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(H)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(Cl)	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]Cl)(C[6]C[6]H){1|Cl<1>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(H){1|Cl<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(Cl){2|C<4>,3|H<1>,4|C<3>}	110.2200	0.000	1	110.2200	0.000	1	110.2200	0.000	1	110.2200	0.000	1	111.2136	0.585	5	110.6358	8.899	24
474	762	762	0:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	4:4:3:3:	4:3:3:	4:3:1:	C[5,6]-4:C[5]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]2)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]H)(O)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]2)(C[6]C[6]O){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|O<1>,5|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]H)(O){2|C<3>,3|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	108.7960	0.000	1	110.6358	8.899	24
474	762	762	0:SP3_SP2_SP2	C[5]	C[6]	C[6]	3:3:3:2:	4:3:3:	4:3:3:	C[6]-3:C[6]-3:N[5]-3:O[5]-2:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:N[6]-3:C[6]-3:	C[5](C[6]C[6]N[6])2(N[5]C[5]O)(O[5]C[5])	C[6](C[5]C[6]N[5]O[5])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[5]C[6]N[5]O[5])(N[6]C[6]Co)(C[6]C[6]H)	C[5](C[6]C[6]N[6])2(N[5]C[5]O)(O[5]C[5]){1|Co<6>,2|C<4>,4|C<3>,4|H<1>}	C[6](C[5]C[6]N[5]O[5])(N[6]C[6]Co)(C[6]C[6]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5]C[6]N[5]O[5])(N[6]C[6]Co)(C[6]C[6]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	110.2040	0.783	8	110.2040	0.613	8	110.0922	0.542	13	110.0922	0.542	13	111.1071	12.226	15	110.6358	8.899	24
474	762	762	0:SP3_SP2_SP2	C[5]	C[6]	C[6]	3:3:3:2:	4:3:3:	4:3:3:	C[6]-3:C[6]-3:N[5]-3:O[5]-2:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:N[6]-3:C[6]-3:	C[5](C[6]C[6]N[6])2(N[5]C[5]O)(O[5]C[5])	C[6](C[5]C[6]N[5]O[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[5]C[6]N[5]O[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[5](C[6]C[6]N[6])2(N[5]C[5]O)(O[5]C[5]){1|Fe<6>,2|C<4>,4|C<3>,4|H<1>}	C[6](C[5]C[6]N[5]O[5])(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5]C[6]N[5]O[5])(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	109.4697	0.478	3	109.4697	0.229	3	110.0922	0.542	13	110.0922	0.542	13	111.1071	12.226	15	110.6358	8.899	24
474	762	762	0:SP3_SP2_SP2	C[5]	C[6]	C[6]	3:3:3:2:	4:3:3:	4:3:3:	C[6]-3:C[6]-3:N[5]-3:O[5]-2:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:N[6]-3:C[6]-3:	C[5](C[6]C[6]N[6])2(N[5]C[5]O)(O[5]C[5])	C[6](C[5]C[6]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[5]C[6]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H)	C[5](C[6]C[6]N[6])2(N[5]C[5]O)(O[5]C[5]){1|Ni<6>,2|C<4>,4|C<3>,4|H<1>}	C[6](C[5]C[6]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5]C[6]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	110.5785	0.139	2	110.5785	0.019	2	110.0922	0.542	13	110.0922	0.542	13	111.1071	12.226	15	110.6358	8.899	24
474	762	762	0:SP3_SP2_SP2	C[5]	C[6]	C[6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6]-3:C[6]-3:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:N[6]-3:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6]C[6]N[6])2	C[6](C[5]C[5,6a]2C[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[5]C[5,6a]2C[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6]C[6]N[6])2{1|Pt<4>,4|H<1>,8|C<3>}	C[6](C[5]C[5,6a]2C[6])(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,1|N<3>,7|C<3>}	C[6](C[5]C[5,6a]2C[6])(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,1|N<3>,7|C<3>}	123.3710	0.000	1	123.3710	0.000	1	123.3710	0.000	1	123.3710	0.000	1	111.1071	12.226	15	110.6358	8.899	24
474	762	762	0:SP3_SP2_SP2	C[5]	C[6]	C[6]	3:3:4:4:	4:3:3:	4:3:3:	C[6]-3:C[6]-3:C[5]-4:C[5]-4:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:N[6]-3:C[6]-3:	C[5](C[6]C[6]N[6])2(C[5]C[5]HH)2	C[6](C[5]C[5]2C[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[5]C[5]2C[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[5](C[6]C[6]N[6])2(C[5]C[5]HH)2{1|Ru<6>,4|C<3>,6|H<1>}	C[6](C[5]C[5]2C[6])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[5]C[5]2C[6])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	112.0370	0.000	1	112.0370	0.000	1	112.0370	0.000	1	112.0370	0.000	1	111.1071	12.226	15	110.6358	8.899	24
474	762	762	6:SP3_SP2_SP2	C[5,3x6]	C[6,6]	C[6,6]	3:3:3:2:	4:3:4:	4:3:3:	C[5,6,6]-3:C[6,6]-3:C[6,6]-3:O[5]-2:	C[5,3x6]-4:C[6,6]-3:C-4:	C[5,3x6]-4:C[6,6]-3:C-3:	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]C)2(O[5]C[5])	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]H)(CC3)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]H)(CHO)	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]C)2(O[5]C[5]){1|C<4>,7|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]H)(CC3){3|C<3>,3|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]H)(CHO){2|C<3>,4|C<4>}	108.3830	0.000	1	108.3830	0.000	1	108.3830	0.000	1	108.3830	0.000	1	104.8696	13.812	5	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,3x6]	C[6,6]	C[6,6]	3:3:3:3:	4:3:1:	4:3:1:	C[5,6,6]-3:C[6,6]-3:C[6,6]-3:N[5]-3:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]H)2(N[5]C[5]C)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]N[5])(C[6,6]C[3x6]H)(H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]N[5])(C[6,6]C[3x6]H)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]H)2(N[5]C[5]C){1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]N[5])(C[6,6]C[3x6]H)(H){2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]N[5])(C[6,6]C[3x6]H)(H){2|C<4>,2|H<1>,3|C<3>}	109.2980	0.000	1	109.2980	0.000	1	109.2980	0.000	1	109.2980	0.000	1	104.8696	13.812	5	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,3x6]	C[6,6]	C[6,6]	4:3:3:2:	4:4:1:	4:3:4:	C[5,3x6]-4:C[6,6]-3:C[6,6]-3:O[5]-2:	C[5,3x6]-4:C[6,6]-4:O-1:	C[5,3x6]-4:C[6,6]-3:C-4:	C[5,3x6](C[5,3x6]C[5,6]O[6,6]C[6])(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(O[5]C[5,6])	C[6,6](C[5,3x6]C[5,3x6]C[6,6]O[5])(C[6,6]C[3x6]C[6]H)(O)	C[6,6](C[5,3x6]C[5,3x6]C[6,6]O[5])(C[6,6]C[3x6]H)(CC3)	C[5,3x6](C[5,3x6]C[5,6]O[6,6]C[6])(C[6,6]C[6,6]C)(C[6,6]C[6,6]O)(O[5]C[5,6]){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,3x6]C[5,3x6]C[6,6]O[5])(C[6,6]C[3x6]C[6]H)(O){1|H<1>,1|O<2>,2|C<3>,6|C<4>}	C[6,6](C[5,3x6]C[5,3x6]C[6,6]O[5])(C[6,6]C[3x6]H)(CC3){1|C<3>,1|O<1>,1|O<2>,4|C<4>}	101.9350	0.000	1	101.9350	0.000	1	101.9350	0.000	1	101.9350	0.000	1	104.8696	13.812	5	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,3x6]	C[6,6]	C[6,6]	4:3:3:4:	4:4:1:	4:3:1:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:C[5]-4:	C[5,3x6]-4:C[6,6]-4:O-1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[5]C[5]HH)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HO)(O)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]H)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)(C[5]C[5]HH){1|O<2>,2|C<4>,7|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HO)(O){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]H)(H){1|O<1>,3|H<1>,5|C<4>}	102.3660	1.465	2	102.3660	2.147	2	102.3660	2.147	2	102.3660	2.147	2	104.8696	13.812	5	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,4x6]	C[6,6]	C[6,6]	4:4:3:3:	4:3:1:	4:4:1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-3:C[6,6]-3:	C[5,4x6]-4:C[6,6]-3:H-1:	C[5,4x6]-4:C[6,6]-4:O-1:	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O)	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]H)(H)	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]CO)(O)	C[5,4x6](C[5,3x6]C[6,6]C[6]O[5])(C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]H)(C[6,6]C[6,6]O){1|C<3>,1|O<1>,2|O<2>,3|C<4>,8|H<1>}	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]CO)(O){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	103.1360	0.000	1	103.1360	0.000	1	103.1360	0.000	1	103.1360	0.000	1	102.1973	0.661	3	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,4x6]	C[6,6]	C[6,6]	4:4:3:3:	4:4:1:	4:3:1:	C[5,3x6]-4:C[5,5,6]-4:C[6,6]-3:C[6,6]-3:	C[5,4x6]-4:C[3,6,6]-4:O-1:	C[5,4x6]-4:C[6,6]-3:H-1:	C[5,4x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H)	C[6,6](C[5,4x6]C[5,3x6]C[5,5,6]C[6,6])(C[3,6,6]C[3x6]C[3]O[3])(O)	C[6,6](C[5,4x6]C[5,3x6]C[5,5,6]C[6,6])(C[6,6]C[3x6]H)(H)	C[5,4x6](C[5,3x6]C[5,5,3x6]C[6,6]H)(C[5,5,6]C[5,5,6]C[5,6]H)(C[6,6]C[3,6,6]O)(C[6,6]C[6,6]H){1|N<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,4x6]C[5,3x6]C[5,5,6]C[6,6])(C[3,6,6]C[3x6]C[3]O[3])(O){1|C<3>,4|C<4>,6|H<1>}	C[6,6](C[5,4x6]C[5,3x6]C[5,5,6]C[6,6])(C[6,6]C[3x6]H)(H){1|O<1>,3|H<1>,5|C<4>}	101.7280	0.018	2	101.7280	0.000	2	101.7280	0.000	2	101.7280	0.000	2	102.1973	0.661	3	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,5,6]	C[6]	C[6]	4:4:3:3:	4:3:1:	4:3:1:	C[3x5,6]-4:C[3x5,6]-4:C[6]-3:C[6]-3:	C[5,5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[6]-3:H-1:	C[5,5,6](C[3x5,6]C[5,5,6]2C[6a])(C[3x5,6]C[5,5,6]2Cl)(C[6]C[6]H)2	C[6](C[5,5,6]C[3x5,6]2C[6])(C[6]C[6]H)(H)	C[6](C[5,5,6]C[3x5,6]2C[6])(C[6]C[6]H)(H)	C[5,5,6](C[3x5,6]C[5,5,6]2C[6a])(C[3x5,6]C[5,5,6]2Cl)(C[6]C[6]H)2{3|C<3>,4|C<4>,6|H<1>}	C[6](C[5,5,6]C[3x5,6]2C[6])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6](C[5,5,6]C[3x5,6]2C[6])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>,4|C<4>}	111.8120	0.000	1	111.8120	0.000	1	111.8120	0.000	1	111.8120	0.000	1	111.8120	0.000	1	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6,6]	C[6,6]	C[6]	3:3:3:3:	4:3:3:	4:3:1:	C[6,6]-3:N[5,6]-3:C[5]-3:C[6]-3:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6](C[6,6]C[6,6a]C[6])(N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H)	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5,6,6](C[6,6]C[6,6a]C[6])(N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H){1|Br<1>,1|O<1>,4|H<1>,5|C<3>}	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|O<1>,5|C<3>}	112.4530	0.000	1	112.4530	0.000	1	112.4530	0.000	1	112.4530	0.000	1	112.4137	3.001	3	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6,6]	C[6,6]	C[6]	4:4:3:3:	4:3:3:	4:3:1:	C[5,5,6]-4:C[5,6]-4:C[6]-3:C[6,6]-3:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[5,6,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6a]O)(C[6,6]C[6]2)	C[6,6](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6]C[6,6a]O)(C[6]C[5,6]O)	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6a]O)(C[6,6]C[6]2){1|O<1>,2|C<4>,3|C<3>,3|H<1>,4|O<2>}	C[6,6](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6]C[6,6a]O)(C[6]C[5,6]O){1|O<1>,3|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O){3|C<4>,3|H<1>,5|C<3>}	112.3940	2.449	2	112.3940	6.000	2	112.3940	6.000	2	112.3940	6.000	2	112.4137	3.001	3	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6,6]	C[6]	C[6]	4:2:3:3:	4:4:3:	4:4:3:	C[5,5,6]-4:O[5,6]-2:C[6]-3:C[6]-3:	C[5,6,6]-4:C[6]-4:C-3:	C[5,6,6]-4:C[6]-4:C-3:	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(O[5,6]C[5,5,6,6])(C[6]C[6]C)2	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]HH)(CC[6a]H)	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]HH)(CC[6a]H)	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(O[5,6]C[5,5,6,6])(C[6]C[6]C)2{1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]HH)(CC[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]HH)(CC[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	108.4370	0.000	1	108.4370	0.000	1	108.0580	0.287	2	108.0580	0.287	2	109.5913	3.249	4	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6,6]	C[6]	C[6]	4:2:3:3:	4:4:3:	4:4:3:	C[5,5,6]-4:O[5,6]-2:C[6]-3:C[6]-3:	C[5,6,6]-4:C[6]-4:C-3:	C[5,6,6]-4:C[6]-4:C-3:	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(O[5,6]C[5,5,6])(C[6]C[6]C)2	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]HH)(CC[6a]H)	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]HH)(CC[6a]H)	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(O[5,6]C[5,5,6])(C[6]C[6]C)2{1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]HH)(CC[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]HH)(CC[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	107.6790	0.000	1	107.6790	0.000	1	108.0580	0.287	2	108.0580	0.287	2	109.5913	3.249	4	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6,6]	C[6]	C[6]	4:3:3:2:	4:3:1:	4:3:1:	C[5,6,6]-4:C[6]-3:C[6]-3:O[5]-2:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6](C[5,6,6]C[6]2O[5])(C[6]C[6]H)2(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]H)(H)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]H)(H)	C[5,6,6](C[5,6,6]C[6]2O[5])(C[6]C[6]H)2(O[5]C[5]){1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]H)(H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]H)(H){1|O<2>,2|H<1>,4|C<3>}	110.9560	0.000	1	110.9560	0.000	1	110.9560	0.000	1	110.9560	0.000	1	109.5913	3.249	4	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6,6]	C[6]	C[6]	4:4:3:3:	4:3:1:	4:3:1:	C[3,5,6]-4:C[5,6,6]-4:C[6]-3:C[6]-3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6](C[3,5,6]C[3,5,6]C[3,6,6]C[6a])(C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6]H)2	C[6](C[5,6,6]C[3,5,6]C[5,6,6]C[6])(C[6]C[6]H)(H)	C[6](C[5,6,6]C[3,5,6]C[5,6,6]C[6])(C[6]C[6]H)(H)	C[5,6,6](C[3,5,6]C[3,5,6]C[3,6,6]C[6a])(C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6]H)2{1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[5,6,6]C[3,5,6]C[5,6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[6](C[5,6,6]C[3,5,6]C[5,6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	111.2930	0.000	1	111.2930	0.000	1	111.2930	0.000	1	111.2930	0.000	1	109.5913	3.249	4	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6,6]	C[6]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6]-3:C[6]-3:C[5]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(C[5]N[5]O)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6a]O[6])(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6a]O[6])(C[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	114.3630	0.000	1	114.3630	0.000	1	114.3630	0.000	1	114.3630	0.000	1	108.9843	3.615	15	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6,6]	C[6]	3:3:3:3:	4:3:3:	4:3:2:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O)(C[6]C[6]C)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O)(C[6]C[6]C){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(CN){1|O<1>,5|C<3>}	108.2870	0.000	1	108.2870	0.000	1	108.6378	0.402	9	108.6378	0.402	9	108.9843	3.615	15	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6,6]	C[6]	3:3:3:3:	4:3:3:	4:3:2:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]N[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|H<1>,1|O<1>,2|C<3>,2|N<3>,3|C<4>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<2>,1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]N[6]N)(CN){1|N<3>,1|O<1>,5|C<3>}	109.1337	0.673	3	109.1337	0.453	3	108.6378	0.402	9	108.6378	0.402	9	108.9843	3.615	15	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6,6]	C[6]	3:3:3:3:	4:3:3:	4:3:2:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	108.2587	0.672	3	108.4104	0.297	5	108.6378	0.402	9	108.6378	0.402	9	108.9843	3.615	15	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6,6]	C[6]	3:3:3:3:	4:3:3:	4:3:2:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	108.6380	0.332	2	108.4104	0.297	5	108.6378	0.402	9	108.6378	0.402	9	108.9843	3.615	15	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6,6]	C[6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(COO){1|N<3>,1|O<1>,4|C<3>}	109.2430	0.000	1	109.2430	0.000	1	109.2430	0.000	1	108.7030	0.583	2	108.9843	3.615	15	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6,6]	C[6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:C[6]-3:N-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]N)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(NOO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]N){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|O<1>,2|N<3>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(NOO){1|N<3>,1|O<1>,4|C<3>}	108.1630	0.000	1	108.1630	0.000	1	108.1630	0.000	1	108.7030	0.583	2	108.9843	3.615	15	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6,6]	C[6]	3:3:3:3:	4:3:4:	4:3:2:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:S[6]-4:	C[5,6]-4:C[6]-3:C-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]S[6])(C[5]N[5]O)(C[6]C[6]C)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6a]O[6])(S[6]N[6]OO)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]S[6])(C[5]N[5]O)(C[6]C[6]C){1|O<2>,2|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6a]O[6])(S[6]N[6]OO){1|C<2>,1|C<4>,1|N<3>,1|O<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,1|S<4>,3|C<3>}	106.9870	0.000	1	106.9870	0.000	1	106.9870	0.000	1	106.9870	0.000	1	108.9843	3.615	15	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6,6]	C[6]	3:4:3:2:	4:3:2:	4:3:1:	C[6,6]-3:C[5]-4:C[6]-3:O[5]-2:	C[5,6]-4:C[6,6]-3:O[6]-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[6,6]C[6,6]O[6])(C[5]C[5]HH)(C[6]C[6]H)(O[5]C[5])	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2)(O[6]C[5,6])	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]C)(H)	C[5,6](C[6,6]C[6,6]O[6])(C[5]C[5]HH)(C[6]C[6]H)(O[5]C[5]){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2)(O[6]C[5,6]){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	111.6460	0.000	1	111.6460	0.000	1	111.6460	0.000	1	111.6460	0.000	1	108.9843	3.615	15	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6,6]	C[6]	4:3:3:3:	4:3:2:	4:3:1:	C[5,6]-4:C[6,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[6,6a]2C[5])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6])	C[6](C[5,6]C[5,6]C[6,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6,6a]2C[5])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,7|C<3>}	C[6,6](C[5,6]C[5,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[6,6]C[5])(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|N<3>,1|O<1>,4|C<3>}	106.6230	0.000	1	106.6230	0.000	1	106.6230	0.000	1	106.6230	0.000	1	108.9843	3.615	15	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	2:2:3:3:	4:3:1:	4:3:1:	O[5]-2:S[5]-2:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6](O[5]C[5,6a])(S[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]C)(H)	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]C)(O)	C[5,6](O[5]C[5,6a])(S[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O){2|C<4>,3|C<3>}	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	116.0690	0.283	2	116.0690	0.080	2	116.0690	0.080	2	116.0690	0.080	2	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:2:3:3:	4:3:1:	4:3:1:	C[5]-3:O[5]-2:C[6]-3:C[6]-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6](C[5]C[5,6a]C[6])(O[5]C[5,6a])(C[6]N[6]O)2	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]C)(O)	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]C)(O)	C[5,6](C[5]C[5,6a]C[6])(O[5]C[5,6a])(C[6]N[6]O)2{2|C<4>,5|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]C)(O){1|N<3>,2|O<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]C)(O){1|N<3>,2|O<1>,3|C<3>}	116.3930	0.000	1	116.3930	0.000	1	116.3930	0.000	1	116.3930	0.000	1	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:2:3:3:	4:3:2:	4:3:1:	C[5]-3:O[5]-2:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OC)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(H)	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O){1|H<1>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OC){1|H<1>,2|O<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(H){1|O<2>,2|O<1>,3|C<3>}	114.4890	0.000	1	114.4890	0.000	1	114.4890	0.000	1	114.4890	0.000	1	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:2:3:3:	4:3:3:	4:3:2:	C[5]-3:O[5]-2:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:O-2:	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]C)(C[6]C[6]O)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(COO)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OC)	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]C)(C[6]C[6]O){2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(COO){1|O<2>,2|O<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OC){2|O<1>,4|C<3>}	114.4160	1.298	2	114.4160	1.685	2	114.4160	1.685	2	114.4160	1.685	2	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:2:2:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[6]C[6]H)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]H)(H)	C[5,6](C[6]C[6]H)2(O[5]C[5])2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	113.6310	0.000	1	113.6310	0.000	1	113.6310	0.000	1	113.6310	0.000	1	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:2:2:	4:3:2:	4:3:2:	C[6]-3:C[6]-3:O[5]-2:O[5]-2:	C[5,6]-4:C[6a]-3:N[6]-2:	C[5,6]-4:C[6a]-3:N[6]-2:	C[5,6](C[6]C[6a]N[6])2(O[5]C[5,6a])2	C[6](C[5,6]C[6]O[5]2)(C[6a]C[6a]2)(N[6]S[6])	C[6](C[5,6]C[6]O[5]2)(C[6a]C[6a]2)(N[6]S[6])	C[5,6](C[6]C[6a]N[6])2(O[5]C[5,6a])2{1|S<2>,6|C<3>}	C[6](C[5,6]C[6]O[5]2)(C[6a]C[6a]2)(N[6]S[6]){1|N<2>,2|H<1>,5|C<3>}	C[6](C[5,6]C[6]O[5]2)(C[6a]C[6a]2)(N[6]S[6]){1|N<2>,2|H<1>,5|C<3>}	114.4340	0.000	1	114.4340	0.000	1	114.4340	0.000	1	114.4340	0.000	1	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:2:2:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-3:C[6a]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[6]C[6a]C[6])(C[6]C[6]H)(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]H)(C[6a]C[6a]2)	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]C[6a])(H)	C[5,6](C[6]C[6a]C[6])(C[6]C[6]H)(O[5]C[5])2{1|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]H)(C[6a]C[6a]2){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]C[6a])(H){2|C<4>,2|O<2>,4|C<3>}	113.9035	0.193	2	113.9035	0.037	2	113.9035	0.037	2	113.9035	0.037	2	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:2:2:	4:3:3:	4:3:3:	C[6]-3:C[6]-3:O[5]-2:O[5]-2:	C[5,6]-4:C[6]-3:N-3:	C[5,6]-4:C[6]-3:N-3:	C[5,6](C[6]C[6]N)2(O[5]C[5])2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]H)(NOO)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]H)(NOO)	C[5,6](C[6]C[6]N)2(O[5]C[5])2{1|C<3>,1|C<4>,5|H<1>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]H)(NOO){1|C<3>,2|C<4>,2|N<3>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]H)(NOO){1|C<3>,2|C<4>,2|N<3>}	107.9100	0.000	1	107.9100	0.000	1	107.9100	0.000	1	107.9100	0.000	1	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:2:2:	4:4:1:	4:3:1:	C[6]-3:C[6]-3:S[5]-2:S[5]-2:	C[4,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[6]C[4,6]O)(C[6]C[6]H)(S[5]C[5])2	C[6](C[4,6]C[4,5]C[4,6]H)(C[5,6]C[6]S[5]2)(O)	C[6](C[5,6]C[6]S[5]2)(C[6]C[4,6]H)(H)	C[5,6](C[6]C[4,6]O)(C[6]C[6]H)(S[5]C[5])2{2|C<4>,6|H<1>}	C[6](C[4,6]C[4,5]C[4,6]H)(C[5,6]C[6]S[5]2)(O){2|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[6]S[5]2)(C[6]C[4,6]H)(H){1|H<1>,1|O<1>,4|C<4>}	113.5720	0.000	1	113.5720	0.000	1	113.5720	0.000	1	112.9380	0.804	2	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:2:2:	4:4:1:	4:3:1:	C[6]-3:C[6]-3:S[5]-2:S[5]-2:	C[5,6]-4:C[4,6]-4:O-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[6]C[4,6]O)(C[6]C[6]H)(S[5]C[5])2	C[6](C[5,6]C[6]S[5]2)(C[4,6]C[4,6]2H)(O)	C[6](C[5,6]C[6]S[5]2)(C[6]C[4,6]H)(H)	C[5,6](C[6]C[4,6]O)(C[6]C[6]H)(S[5]C[5])2{2|C<4>,6|H<1>}	C[6](C[5,6]C[6]S[5]2)(C[4,6]C[4,6]2H)(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[6]S[5]2)(C[6]C[4,6]H)(H){1|H<1>,1|O<1>,4|C<4>}	112.3040	0.000	1	112.3040	0.000	1	112.3040	0.000	1	112.9380	0.804	2	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:3:2:	4:3:1:	4:3:1:	C[5,6a]-3:C[6]-3:C[6]-3:O[5]-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)2(O[5]C[5])	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)2(O[5]C[5]){1|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,4|C<3>}	114.0330	0.279	2	114.0330	0.078	2	114.0330	0.078	2	113.5139	0.412	17	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:3:2:	4:3:1:	4:3:1:	C[5]-3:C[6]-3:C[6]-3:N[5]-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5])	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]){1|C<4>,1|I<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,4|C<3>}	112.9600	0.000	1	112.9600	0.000	1	112.8345	0.032	2	113.5139	0.412	17	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:3:2:	4:3:1:	4:3:1:	C[5]-3:C[6]-3:C[6]-3:N[5]-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5]N[5]O)(C[6]C[6]H)2(N[5]C[5])	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5]N[5]O)(C[6]C[6]H)2(N[5]C[5]){2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	112.7090	0.000	1	112.7090	0.000	1	112.8345	0.032	2	113.5139	0.412	17	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:3:2:	4:3:1:	4:3:1:	C[5]-3:C[6]-3:C[6]-3:O[5]-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(O[5]C[5]){1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,4|C<3>}	113.8643	0.249	3	113.8643	0.062	3	113.8643	0.062	3	113.5139	0.412	17	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:3:2:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:N[5]-3:N[5]-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[6]C[6]H)2(N[5]C[5]C)(N[5]C[5])	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]C)(H)	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]C)(H)	C[5,6](C[6]C[6]H)2(N[5]C[5]C)(N[5]C[5]){1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	114.0550	0.000	1	114.0550	0.000	1	113.4227	0.633	8	113.5139	0.412	17	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:3:2:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:N[5]-3:N[5]-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[6]C[6]H)2(N[5]C[5]C)(N[5]C[5])	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]H)(H)	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]H)(H)	C[5,6](C[6]C[6]H)2(N[5]C[5]C)(N[5]C[5]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	112.7150	0.317	4	113.3324	0.662	7	113.4227	0.633	8	113.5139	0.412	17	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:3:2:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:N[5]-3:N[5]-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[6]C[6]H)2(N[5]C[5]C)(N[5]C[5])	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]H)(H)	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]H)(H)	C[5,6](C[6]C[6]H)2(N[5]C[5]C)(N[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	114.1557	0.239	3	113.3324	0.662	7	113.4227	0.633	8	113.5139	0.412	17	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:3:2:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:N[5]-3:O[5]-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[6]C[6]H)2(N[5]C[5]S)(O[5]C[5])	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]H)(H)	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]H)(H)	C[5,6](C[6]C[6]H)2(N[5]C[5]S)(O[5]C[5]){1|C<3>,6|H<1>}	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|S<4>,2|C<4>}	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|S<4>,2|C<4>}	113.3770	0.000	1	113.3770	0.000	1	113.3770	0.000	1	113.5139	0.412	17	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:3:2:	4:3:1:	4:3:1:	N[5]-3:C[6]-3:C[6]-3:O[5]-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](N[5]C[5a]C[5])(C[6]C[6]H)2(O[5]C[5])	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]H)(H)	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]H)(H)	C[5,6](N[5]C[5a]C[5])(C[6]C[6]H)2(O[5]C[5]){1|C<3>,1|N<2>,1|N<3>,1|O<1>,4|H<1>}	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	113.6500	0.000	1	113.6500	0.000	1	113.6500	0.000	1	113.5139	0.412	17	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:3:2:	4:3:4:	4:3:1:	C[5]-3:C[6]-3:C[6]-3:N[5]-2:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5]N[5]O)(C[6]C[6]C)(C[6]C[6]H)(N[5]C[5])	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(CH3)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5]N[5]O)(C[6]C[6]C)(C[6]C[6]H)(N[5]C[5]){2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	114.3180	0.000	1	114.3180	0.000	1	114.3180	0.000	1	114.3180	0.000	1	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:3:3:	3:4:1:	4:2:1:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:O[6]-2:O-1:	C[5,6](C[5]C[6a]C[5])2(C[6]C[6,6a]O)(C[6]O[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[6](C[5,6]C[5]2C[6])(O[6]C[6,6a])(O)	C[5,6](C[5]C[6a]C[5])2(C[6]C[6,6a]O)(C[6]O[6]O){8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C[6](C[5,6]C[5]2C[6])(O[6]C[6,6a])(O){1|O<1>,6|C<3>}	114.3070	0.000	1	114.3070	0.000	1	114.3070	0.000	1	114.3070	0.000	1	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:3:3:	4:3:1:	4:3:1:	C[5,5a]-3:C[6]-3:C[6]-3:N[5]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,5a]N[5,5a]C[5a])(C[6]C[6]H)2(N[5]C[5]O)	C[6](C[5,6]C[5,5a]C[6]N[5])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,5a]C[6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5,5a]N[5,5a]C[5a])(C[6]C[6]H)2(N[5]C[5]O){1|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,5a]C[6]N[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5,5a]C[6]N[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	113.1570	0.000	1	113.1570	0.000	1	113.1570	0.000	1	113.6665	1.717	40	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:3:3:	4:3:1:	4:3:1:	C[5,5a]-3:N[5,5a]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,5a]C[5,5a]C[5a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2	C[6](C[5,6]C[5,5a]N[5,5a]C[6])(C[6]C[6]C)(H)	C[6](C[5,6]C[5,5a]N[5,5a]C[6])(C[6]C[6]C)(H)	C[5,6](C[5,5a]C[5,5a]C[5a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2{1|H<1>,1|N<2>,1|S<2>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,5a]N[5,5a]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,5|C<3>}	C[6](C[5,6]C[5,5a]N[5,5a]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,5|C<3>}	114.0800	0.000	1	114.0800	0.000	1	114.1465	0.009	2	113.6665	1.717	40	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:3:3:	4:3:1:	4:3:1:	C[5,5a]-3:N[5,5a]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,5a]C[5,5a]S[5a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2	C[6](C[5,6]C[5,5a]N[5,5a]C[6])(C[6]C[6]C)(H)	C[6](C[5,6]C[5,5a]N[5,5a]C[6])(C[6]C[6]C)(H)	C[5,6](C[5,5a]C[5,5a]S[5a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2{1|N<2>,2|C<4>,5|C<3>}	C[6](C[5,6]C[5,5a]N[5,5a]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|S<2>,4|C<3>}	C[6](C[5,6]C[5,5a]N[5,5a]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|S<2>,4|C<3>}	114.2130	0.000	1	114.2130	0.000	1	114.1465	0.009	2	113.6665	1.717	40	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]N[6]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(N[6]C[6,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]N[6]O){1|C<4>,1|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(N[6]C[6,6a]C)(O){1|O<1>,6|C<3>}	116.7410	0.000	1	116.3750	0.268	2	116.3750	0.268	2	113.6665	1.717	40	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]N[6]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(N[6]C[6,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]N[6]O){1|H<1>,2|C<4>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(N[6]C[6,6a]C)(O){1|O<1>,6|C<3>}	116.0090	0.000	1	116.3750	0.268	2	116.3750	0.268	2	113.6665	1.717	40	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(C[6]C[6]H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(C[6]C[6]H)2{3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	112.4607	0.430	4	112.4607	0.185	4	112.3377	1.313	7	113.6665	1.717	40	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]H)2{1|C<4>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,5|C<3>}	113.4830	0.000	1	113.4830	0.000	1	112.3377	1.313	7	113.6665	1.717	40	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]H)(H){1|H<1>,1|N<3>,1|O<1>,1|S<4>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]H)(H){1|H<1>,1|N<3>,1|O<1>,1|S<4>,3|C<3>}	110.0010	0.000	1	110.0010	0.000	1	112.3377	1.313	7	113.6665	1.717	40	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]N[5,5a,6a]C[6a])(C[5]C[5,5a]C[6a])(C[6]C[6]H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H)	C[5,6](C[5,6a]N[5,5a,6a]C[6a])(C[5]C[5,5a]C[6a])(C[6]C[6]H)2{3|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	113.0370	0.000	1	113.0370	0.000	1	112.3377	1.313	7	113.6665	1.717	40	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:N[5,5a]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6,6]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6,6]C[6,6]O[6])(H)	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6]C[6,6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6,6]H)(C[6]C[6]H){1|N<2>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6,6]C[6,6]O[6])(H){1|H<1>,1|N<2>,6|C<3>}	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6]C[6,6]H)(H){1|H<1>,1|N<2>,5|C<3>}	113.4840	0.000	1	113.4840	0.000	1	113.0465	0.383	2	113.6665	1.717	40	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:N[5,5a]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6,6]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6,6]C[6,6]S[6])(H)	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6]C[6,6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6,6]H)(C[6]C[6]H){1|N<2>,1|S<2>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6,6]C[6,6]S[6])(H){1|H<1>,1|N<2>,6|C<3>}	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6]C[6,6]H)(H){1|H<1>,1|N<2>,5|C<3>}	112.6090	0.000	1	112.6090	0.000	1	113.0465	0.383	2	113.6665	1.717	40	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:N[5,5a]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6]C[6]C)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2{1|H<1>,1|N<2>,2|C<4>,5|C<3>}	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,5|C<3>}	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,5|C<3>}	113.7035	0.371	4	113.7035	0.137	4	113.7035	0.137	4	113.6665	1.717	40	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:3:3:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5]C[5,5]C[6a])(C[5]C[5,5]H)(C[6]C[6]H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5,6](C[5]C[5,5]C[6a])(C[5]C[5,5]H)(C[6]C[6]H)2{1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	111.7920	0.000	1	111.7920	0.000	1	111.7920	0.000	1	113.6665	1.717	40	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:3:3:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6](C[5]C[6a]C[5])(C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(O)	C[5,6](C[5]C[6a]C[5])(C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O){3|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(O){1|C<4>,2|H<1>,4|C<3>}	114.2590	0.000	1	114.1855	0.011	2	114.4248	0.220	4	113.6665	1.717	40	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:3:3:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6](C[5]C[6a]C[5])(C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(O)	C[5,6](C[5]C[6a]C[5])(C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O){3|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|O<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(O){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	114.1120	0.000	1	114.1855	0.011	2	114.4248	0.220	4	113.6665	1.717	40	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:3:3:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6](C[5]C[6a]C[5])(C[5]C[5]N)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(O)	C[5,6](C[5]C[6a]C[5])(C[5]C[5]N)(C[6]C[6]H)(C[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(O){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	114.2050	0.000	1	114.2050	0.000	1	114.4248	0.220	4	113.6665	1.717	40	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:3:3:	4:3:1:	4:3:1:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(O)	C[5,6](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(O){1|N<2>,2|H<1>,4|C<3>}	115.1230	0.000	1	115.1230	0.000	1	114.4248	0.220	4	113.6665	1.717	40	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:3:3:	4:3:1:	4:3:1:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[5,6]-4:C[6]-3:Cl-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5]C[6a]C[5])(C[6]C[6]Cl)(C[6]C[6]H)(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(Cl)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]Cl)(C[6]C[6]H)(N[5]C[5]C){1|I<1>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(Cl){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|O<1>,4|C<3>}	111.9300	0.000	1	111.9300	0.000	1	111.9300	0.000	1	113.6665	1.717	40	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:3:3:	4:3:1:	4:3:1:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	111.9950	0.000	1	112.8842	0.378	5	112.8842	0.378	5	113.6665	1.717	40	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:3:3:	4:3:1:	4:3:1:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]C){1|O<1>,1|P<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	112.8655	0.043	2	112.8842	0.378	5	112.8842	0.378	5	113.6665	1.717	40	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:3:3:	4:3:1:	4:3:1:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]C){1|O<1>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	113.7280	0.000	1	112.8842	0.378	5	112.8842	0.378	5	113.6665	1.717	40	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:3:3:	4:3:1:	4:3:1:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]C){1|Se<2>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	112.9670	0.000	1	112.8842	0.378	5	112.8842	0.378	5	113.6665	1.717	40	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:3:3:	4:3:1:	4:3:1:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6](C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(O)	C[5,6](C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(O){2|C<4>,2|H<1>,3|C<3>}	114.7133	0.377	4	114.7133	0.142	4	114.8568	0.150	9	113.6665	1.717	40	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:3:3:	4:3:1:	4:3:1:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6](C[5]C[5]H)(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(O)	C[5,6](C[5]C[5]H)(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(O){1|C<4>,3|C<3>,3|H<1>}	115.0573	0.254	3	115.0573	0.065	3	114.8568	0.150	9	113.6665	1.717	40	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:3:3:	4:3:1:	4:3:1:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(O)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C){1|Se<2>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(O){1|C<4>,2|H<1>,4|C<3>}	114.8430	0.663	2	114.8430	0.440	2	114.8568	0.150	9	113.6665	1.717	40	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:3:3:	4:3:1:	4:3:1:	N[5,6]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]C[6a])(C[6]C[6]H)2	C[6](C[5,6]N[5,6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]C[6])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]C[6a])(C[6]C[6]H)2{1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[5,6]N[5,6]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	112.8175	0.204	2	112.8175	0.042	2	112.8175	0.042	2	113.6665	1.717	40	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:3:3:	4:3:1:	4:3:2:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:N-2:	C[5,6](C[5]C[6a]C[5])2(C[6]C[6]H)(C[6]C[6]N)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(NC)	C[5,6](C[5]C[6a]C[5])2(C[6]C[6]H)(C[6]C[6]N){2|H<1>,7|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(NC){2|H<1>,5|C<3>}	113.6650	0.337	2	113.6650	0.113	2	113.6650	0.113	2	113.6650	0.113	2	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6]-4:C[6]-3:C-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)(C[5]N[5]O)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O)(CCC)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O)(CCC){1|N<3>,2|O<1>,4|C<3>}	114.1945	0.443	2	114.1945	0.197	2	114.5667	0.514	3	114.5667	0.514	3	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6]-4:C[6]-3:C-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)(C[5]N[5]O)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O)(COO){1|N<3>,2|O<1>,4|C<3>}	115.3110	0.000	1	115.3110	0.000	1	114.5667	0.514	3	114.5667	0.514	3	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:3:3:	4:3:3:	4:3:2:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]C)(COO)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{2|H<1>,2|N<3>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]C)(COO){1|C<2>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]N)(CN){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	107.3100	0.000	1	107.3100	0.000	1	109.1043	0.894	6	109.1043	0.894	6	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:3:3:	4:3:3:	4:3:2:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(CCO)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(CCO){1|C<2>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	109.7223	0.213	3	109.7223	0.045	3	109.1043	0.894	6	109.1043	0.894	6	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:3:3:	4:3:3:	4:3:2:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(COO)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]N)(CN)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(COO){1|C<2>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	109.0745	0.118	2	109.0745	0.014	2	109.1043	0.894	6	109.1043	0.894	6	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]C)(COO)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]C)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]C)(COO){1|N<3>,1|O<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]C)(COO){1|N<3>,1|O<1>,5|C<3>}	108.8540	0.000	1	108.8540	0.000	1	109.3897	0.696	3	111.3845	3.563	11	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]H)(CC[6a]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]H)(CC[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]H)(CC[6a]O){1|N<3>,1|O<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]H)(CC[6a]O){1|N<3>,1|O<1>,5|C<3>}	108.9640	0.000	1	108.9640	0.000	1	109.3897	0.696	3	111.3845	3.563	11	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(CCO)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]N)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(CCO){1|N<3>,1|O<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]N)(COO){1|N<3>,1|O<1>,4|C<3>}	110.3510	0.000	1	110.3510	0.000	1	109.3897	0.696	3	111.3845	3.563	11	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6]-3:N-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]N)(C[5]N[5]O)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]N[5,6]N[5])(NOO)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[5,6]N)(CC[6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]N)(C[5]N[5]O)(C[6]C[6]C){2|C<3>,2|H<1>,3|N<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]N[5,6]N[5])(NOO){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[5,6]N)(CC[6a]O){1|C<4>,1|O<1>,2|N<3>,3|C<3>}	110.6873	0.408	4	110.6873	0.166	4	110.6873	0.166	4	111.3845	3.563	11	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:3:3:	4:3:3:	4:3:3:	C[5]-3:C[6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:C[6]-3:N-3:	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[5]N[5]O)(C[6]C[6]N)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(NHH)	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[5]N[5]O)(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|N<2>,1|O<1>,2|N<3>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(NHH){1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	113.2530	0.437	2	113.2530	0.191	2	113.2530	0.191	2	111.3845	3.563	11	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:3:3:	4:3:3:	4:3:3:	C[6]-3:C[5]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:C[6]-3:N-3:	C[5,6](C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O)(C[6]C[6]N)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(NHH)	C[5,6](C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O)(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<2>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	113.9025	0.057	2	113.9025	0.003	2	113.9025	0.003	2	111.3845	3.563	11	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:3:3:	4:3:4:	4:3:4:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]C)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CH3)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]C)2{1|I<1>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CH3){1|C<4>,1|O<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CH3){1|C<4>,1|O<1>,5|C<3>}	114.2530	0.396	2	114.2530	0.157	2	114.2530	0.157	2	114.2530	0.157	2	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6]-3:C[5]-4:C[6]-3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6])(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6])(C[5]C[5]HH)(C[6]C[6]H){4|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,5|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	106.3800	0.000	1	106.3800	0.000	1	106.3800	0.000	1	106.3800	0.000	1	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:4:4:	4:4:1:	4:4:1:	C[6]-3:C[6]-3:C[5]-4:C[5]-4:	C[6,6]-4:C[5,6]-4:O-1:	C[6,6]-4:C[5,6]-4:O-1:	C[5,6](C[6]C[6,6]O)2(C[5]C[5]CH)(C[5]C[5]HH)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]2C[6])(O)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]2C[6])(O)	C[5,6](C[6]C[6,6]O)2(C[5]C[5]CH)(C[5]C[5]HH){1|H<1>,2|C<3>,6|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]2C[6])(O){2|O<1>,3|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]2C[6])(O){2|O<1>,5|C<4>,5|H<1>}	113.2440	0.000	1	112.3537	0.603	3	112.3537	0.603	3	112.3537	0.603	3	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:4:4:	4:4:1:	4:4:1:	C[6]-3:C[6]-3:C[5]-4:C[5]-4:	C[6,6]-4:C[5,6]-4:O-1:	C[6,6]-4:C[5,6]-4:O-1:	C[5,6](C[6]C[6,6]O)2(C[5]C[5]CH)(C[5]C[5]HH)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]2C[6])(O)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]2C[6])(O)	C[5,6](C[6]C[6,6]O)2(C[5]C[5]CH)(C[5]C[5]HH){1|H<1>,3|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]2C[6])(O){2|O<1>,3|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]2C[6])(O){2|O<1>,5|C<4>,5|H<1>}	111.8150	0.000	1	112.3537	0.603	3	112.3537	0.603	3	112.3537	0.603	3	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:3:4:4:	4:4:1:	4:4:1:	C[6]-3:C[6]-3:C[5]-4:C[5]-4:	C[6,6]-4:C[5,6]-4:O-1:	C[6,6]-4:C[5,6]-4:O-1:	C[5,6](C[6]C[6,6]O)2(C[5]C[5]CH)(C[5]C[5]HH)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]2C[6])(O)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]2C[6])(O)	C[5,6](C[6]C[6,6]O)2(C[5]C[5]CH)(C[5]C[5]HH){2|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]2C[6])(O){2|O<1>,3|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]2C[6])(O){2|O<1>,5|C<4>,5|H<1>}	112.0020	0.000	1	112.3537	0.603	3	112.3537	0.603	3	112.3537	0.603	3	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:4:3:2:	4:3:1:	3:4:1:	C[6]-3:C[5]-4:C[6]-3:O[5]-2:	C[5,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]H)(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]H)(O[5]C[5]){1|Br<1>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]Br)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|C<4>,4|C<3>,4|H<1>}	115.3570	0.000	1	115.3570	0.000	1	115.3570	0.000	1	115.3570	0.000	1	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:4:3:3:	3:4:1:	4:2:1:	C[6]-3:C[5]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:O[6]-2:O-1:	C[5,6](C[6]C[5,6]H)(C[5]O[5]HH)(C[5]Si[5]C)(C[6]O[6]O)	C[6](C[5,6]C[5,6]C[5])(C[5,6]C[5]2C[6])(H)	C[6](C[5,6]C[5]2C[6])(O[6]C[5,6])(O)	C[5,6](C[6]C[5,6]H)(C[5]O[5]HH)(C[5]Si[5]C)(C[6]O[6]O){4|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[5,6]C[5]2C[6])(H){1|Si<4>,1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(O[6]C[5,6])(O){1|Si<4>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	110.8470	0.000	1	110.8470	0.000	1	110.8470	0.000	1	110.8470	0.000	1	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:4:3:3:	3:4:3:	4:3:1:	C[6]-3:C[5]-4:C[5]-3:C[6]-3:	C[6,6a]-3:C[5,6]-4:C-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6](C[6]C[6,6a]C)(C[5]C[5]CH)(C[5]N[5]O)(C[6]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CHH)	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6a]C)(O)	C[5,6](C[6]C[6,6a]C)(C[5]C[5]CH)(C[5]N[5]O)(C[6]N[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CHH){2|C<3>,2|C<4>,2|H<1>,2|N<3>,2|O<1>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6a]C)(O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	111.3570	0.000	1	111.3570	0.000	1	111.3570	0.000	1	111.3570	0.000	1	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:4:3:3:	4:3:1:	4:3:1:	C[5]-3:C[5]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6]C[6]H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5,6](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6]C[6]H)2{2|N<3>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	111.7570	0.000	1	111.7570	0.000	1	111.6120	0.050	4	111.7138	0.090	5	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:4:3:3:	4:3:1:	4:3:1:	C[5]-3:C[5]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6]C[6]H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5,6](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6]C[6]H)2{1|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	111.4230	0.064	2	111.4230	0.004	2	111.6120	0.050	4	111.7138	0.090	5	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:4:3:3:	4:3:1:	4:3:1:	C[5]-3:C[5]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5]C[5a]C[5])(C[5]C[5]HH)(C[6]C[6]H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5,6](C[5]C[5a]C[5])(C[5]C[5]HH)(C[6]C[6]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|O<1>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|O<1>,3|H<1>,4|C<3>}	111.8450	0.000	1	111.8450	0.000	1	111.6120	0.050	4	111.7138	0.090	5	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:4:3:3:	4:3:1:	4:3:1:	C[5]-3:C[5]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6](C[5]C[4]C[5])(C[5]O[5]HH)(C[6]C[6]H)(C[6]N[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	C[5,6](C[5]C[4]C[5])(C[5]O[5]HH)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	112.1210	0.000	1	112.1210	0.000	1	112.1210	0.000	1	111.7138	0.090	5	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:4:3:3:	4:3:2:	4:3:2:	C[5,6a]-3:C[5]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-3:O-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(C[6]C[6]O)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(OC)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(OC)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(C[6]C[6]O)2{1|B<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(OC){1|O<1>,1|O<2>,1|P<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(OC){1|O<1>,1|O<2>,1|P<4>,2|H<1>,3|C<3>}	111.9300	0.000	1	111.9300	0.000	1	111.9300	0.000	1	111.9300	0.000	1	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:4:3:3:	4:4:1:	4:4:1:	C[5,6a]-3:C[5]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[6]C[6]O)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[6]C[6]O)2{1|C<4>,2|C<3>,7|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	110.2540	0.479	2	110.2540	0.230	2	110.2540	0.230	2	111.3957	4.025	3	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	3:4:3:3:	4:4:1:	4:4:1:	C[5]-3:C[5]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6]C[6]O)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(O)	C[5,6](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6]C[6]O)2{2|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(O){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(O){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	113.6790	0.000	1	113.6790	0.000	1	113.6790	0.000	1	111.3957	4.025	3	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	4:2:3:3:	4:3:1:	4:3:1:	C[5]-4:O[5]-2:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5]C[5,6]CH)(O[5]C[5,6])(C[6]C[6]H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[5,6]CH)(O[5]C[5,6])(C[6]C[6]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	112.8540	0.000	1	112.8540	0.000	1	112.0060	1.438	2	113.1167	3.331	4	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	4:2:3:3:	4:3:1:	4:3:1:	C[5]-4:O[5]-2:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5]C[5]HH)(O[5]C[5,5])(C[6]C[6]H)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[5]HH)(O[5]C[5,5])(C[6]C[6]H)2{1|O<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	111.1580	0.000	1	111.1580	0.000	1	112.0060	1.438	2	113.1167	3.331	4	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	4:2:3:3:	4:3:1:	4:3:1:	C[5]-4:O[5]-2:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]C)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]S)(O)	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|S<2>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]C)(H){1|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]S)(O){3|C<3>,4|H<1>}	115.5730	0.000	1	115.5730	0.000	1	115.5730	0.000	1	113.1167	3.331	4	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	4:2:3:3:	4:3:1:	4:3:1:	C[5]-4:O[5]-2:C[6]-3:C[6]-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6](C[5]C[5,6a]CC)(O[5]C[5,6a])(C[6]N[6]O)2	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]C)(O)	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]C)(O)	C[5,6](C[5]C[5,6a]CC)(O[5]C[5,6a])(C[6]N[6]O)2{1|N<3>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	112.8820	0.000	1	112.8820	0.000	1	112.8820	0.000	1	113.1167	3.331	4	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	4:2:3:3:	4:4:1:	4:4:1:	C[5]-4:O[5]-2:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(C[6]C[6]O)2	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(O)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(O)	C[5,6](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(C[6]C[6]O)2{2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(O){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(O){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	113.8350	0.000	1	113.8350	0.000	1	113.8350	0.000	1	113.8350	0.000	1	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	4:3:3:2:	4:2:1:	4:2:1:	C[5]-4:C[6]-3:C[6]-3:N[5]-2:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:O[6]-2:O-1:	C[5,6](C[5]C[5]HH)(C[6]O[6]O)2(N[5]C[5])	C[6](C[5,6]C[5]C[6]N[5])(O[6]C[6])(O)	C[6](C[5,6]C[5]C[6]N[5])(O[6]C[6])(O)	C[5,6](C[5]C[5]HH)(C[6]O[6]O)2(N[5]C[5]){2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(O[6]C[6])(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5]C[6]N[5])(O[6]C[6])(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	112.5085	0.042	2	112.5085	0.002	2	112.5085	0.002	2	113.3685	0.635	6	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	4:3:3:2:	4:2:1:	4:2:1:	C[5]-4:C[6]-3:C[6]-3:O[5]-2:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:O[6]-2:O-1:	C[5,6](C[5]C[5]CH)(C[6]O[6]O)2(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(O[6]C[6])(O)	C[6](C[5,6]C[5]C[6]O[5])(O[6]C[6])(O)	C[5,6](C[5]C[5]CH)(C[6]O[6]O)2(O[5]C[5]){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(O[6]C[6])(O){1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(O[6]C[6])(O){1|H<1>,1|O<1>,1|O<2>,5|C<4>}	113.8933	0.652	3	113.8933	0.424	3	113.7985	0.319	4	113.3685	0.635	6	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	4:3:3:2:	4:2:1:	4:2:1:	C[5]-4:C[6]-3:C[6]-3:O[5]-2:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:O[6]-2:O-1:	C[5,6](C[5]C[5]C[6]H)(C[6]O[6]O)2(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(O[6]C[6])(O)	C[6](C[5,6]C[5]C[6]O[5])(O[6]C[6])(O)	C[5,6](C[5]C[5]C[6]H)(C[6]O[6]O)2(O[5]C[5]){1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(O[6]C[6])(O){1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(O[6]C[6])(O){1|H<1>,1|O<1>,1|O<2>,5|C<4>}	113.5140	0.000	1	113.5140	0.000	1	113.7985	0.319	4	113.3685	0.635	6	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	4:3:3:2:	4:3:1:	4:3:1:	C[5]-4:C[6]-3:C[6]-3:N[5]-2:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6](C[5]C[6a]N[5]H)(C[6]N[6]O)2(N[5]C[5])	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]C)(O)	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]C)(O)	C[5,6](C[5]C[6a]N[5]H)(C[6]N[6]O)2(N[5]C[5]){3|C<4>,4|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]C)(O){1|H<1>,2|C<3>,2|N<3>,2|O<1>}	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]C)(O){1|H<1>,2|C<3>,2|N<3>,2|O<1>}	115.5940	0.000	1	115.5940	0.000	1	115.5940	0.000	1	113.6462	1.783	5	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	4:3:3:2:	4:3:1:	4:3:1:	C[5]-4:C[6]-3:C[6]-3:O[5]-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5]C[5]CC)(C[6]C[6]H)2(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[5]CC)(C[6]C[6]H)2(O[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	112.7130	0.000	1	112.7130	0.000	1	113.1593	0.796	4	113.6462	1.783	5	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	4:3:3:2:	4:3:1:	4:3:1:	C[5]-4:C[6]-3:C[6]-3:O[5]-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]H)2(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]Br)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]Br)(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]H)2(O[5]C[5]){2|Br<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]Br)(H){1|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]Br)(H){1|O<1>,3|C<3>,3|H<1>}	114.3310	0.000	1	114.3310	0.000	1	113.1593	0.796	4	113.6462	1.783	5	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	4:3:3:2:	4:3:1:	4:3:1:	C[5]-4:C[6]-3:C[6]-3:O[5]-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]H)2(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]H)2(O[5]C[5]){2|C<3>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	112.2710	0.000	1	112.7965	0.552	2	113.1593	0.796	4	113.6462	1.783	5	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	4:3:3:2:	4:3:1:	4:3:1:	C[5]-4:C[6]-3:C[6]-3:O[5]-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]H)2(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]H)2(O[5]C[5]){2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H){1|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H){1|O<1>,3|C<3>,3|H<1>}	113.3220	0.000	1	112.7965	0.552	2	113.1593	0.796	4	113.6462	1.783	5	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	4:3:3:2:	4:3:2:	4:3:2:	C[5]-4:C[6]-3:C[6]-3:O[5]-2:	C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-3:O-2:	C[5,6](C[5]C[5]HH)(C[6]C[6]O)2(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OC)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OC)	C[5,6](C[5]C[5]HH)(C[6]C[6]O)2(O[5]C[5]){1|C<3>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OC){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OC){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	113.3420	0.000	1	113.3420	0.000	1	113.3420	0.000	1	113.3420	0.000	1	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	4:3:3:3:	4:3:1:	3:4:1:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(C[6]C[6,6a]O)(C[6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[5,6](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(C[6]C[6,6a]O)(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]H)(H){1|H<1>,1|O<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){3|H<1>,7|C<3>}	113.8910	0.642	2	113.8910	0.412	2	113.8910	0.412	2	113.8910	0.412	2	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	4:3:3:3:	4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(C[6]N[6]O)2	C[6](C[5,6]C[5,6]C[5]C[6])(N[6]C[6]C)(O)	C[6](C[5,6]C[5,6]C[5]C[6])(N[6]C[6]C)(O)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(C[6]N[6]O)2{3|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C[6])(N[6]C[6]C)(O){1|C<3>,1|H<1>,1|N<3>,2|O<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C[6])(N[6]C[6]C)(O){1|C<3>,1|H<1>,1|N<3>,2|O<1>,3|C<4>}	114.6100	0.000	1	114.6100	0.000	1	114.6100	0.000	1	112.6797	4.580	23	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	4:3:3:3:	4:3:1:	4:3:1:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[6]C[6]H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[6]C[6]H)2{2|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	112.1680	0.693	2	112.1680	0.480	2	110.2166	3.975	7	112.6797	4.580	23	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	4:3:3:3:	4:3:1:	4:3:1:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5]N[5]HH)(C[5]C[5]C)(C[6]C[6]H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5,6](C[5]N[5]HH)(C[5]C[5]C)(C[6]C[6]H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	112.3580	0.000	1	109.4513	6.353	3	110.2166	3.975	7	112.6797	4.580	23	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	4:3:3:3:	4:3:1:	4:3:1:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5]N[5]HH)(C[5]C[5]C)(C[6]C[6]H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5,6](C[5]N[5]HH)(C[5]C[5]C)(C[6]C[6]H)2{1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	107.9980	0.180	2	109.4513	6.353	3	110.2166	3.975	7	112.6797	4.580	23	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	4:3:3:3:	4:3:1:	4:3:1:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5]O[5]HH)(C[5]C[5]C)(C[6]C[6]H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5,6](C[5]O[5]HH)(C[5]C[5]C)(C[6]C[6]H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	109.4130	0.054	2	109.4130	0.003	2	110.2166	3.975	7	112.6797	4.580	23	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	4:3:3:3:	4:3:1:	4:3:1:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6](C[5]C[5,5]C[6a]H)(C[5]N[5]S)(C[6]N[6]O)2	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	C[5,6](C[5]C[5,5]C[6a]H)(C[5]N[5]S)(C[6]N[6]O)2{1|H<1>,2|C<4>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|S<1>,2|N<3>,2|O<1>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|S<1>,2|N<3>,2|O<1>}	115.1080	0.000	1	113.8673	2.742	3	114.1737	1.258	7	112.6797	4.580	23	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	4:3:3:3:	4:3:1:	4:3:1:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6](C[5]C[5,5]C[6a]H)(C[5]N[5]S)(C[6]N[6]O)2	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	C[5,6](C[5]C[5,5]C[6a]H)(C[5]N[5]S)(C[6]N[6]O)2{2|C<4>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|O<1>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|O<1>}	113.2470	1.782	2	113.8673	2.742	3	114.1737	1.258	7	112.6797	4.580	23	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	4:3:3:3:	4:3:1:	4:3:1:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6](C[5]C[5]HH)(C[5]O[5]C)(C[6]N[6]O)2	C[6](C[5,6]C[5]2C[6])(N[6]C[6]H)(O)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]H)(O)	C[5,6](C[5]C[5]HH)(C[5]O[5]C)(C[6]N[6]O)2{2|C<3>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>}	114.8035	0.124	2	114.8035	0.015	2	114.1737	1.258	7	112.6797	4.580	23	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	4:3:3:3:	4:3:1:	4:3:1:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[6]N[6]O)2	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[6]N[6]O)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,2|O<1>,3|C<3>}	114.6810	0.000	1	114.6810	0.000	1	114.1737	1.258	7	112.6797	4.580	23	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	4:3:3:3:	4:3:1:	4:3:1:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6](C[5]C[6a]N[5]H)(C[5]N[5]H)(C[6]N[6]O)2	C[6](C[5,6]C[5]2C[6])(N[6]C[6]H)(O)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]H)(O)	C[5,6](C[5]C[6a]N[5]H)(C[5]N[5]H)(C[6]N[6]O)2{2|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]H)(O){1|C<3>,1|N<2>,2|H<1>,2|N<3>,2|O<1>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]H)(O){1|C<3>,1|N<2>,2|H<1>,2|N<3>,2|O<1>}	113.3260	0.000	1	113.3260	0.000	1	114.1737	1.258	7	112.6797	4.580	23	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	4:3:3:3:	4:3:1:	4:3:1:	C[5]-4:C[6]-3:C[6]-3:N[5]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5]C[5]CH)(C[6]C[6]H)2(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[5]CH)(C[6]C[6]H)2(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	112.6490	0.000	1	112.6490	0.000	1	112.8752	0.150	4	112.6797	4.580	23	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	4:3:3:3:	4:3:1:	4:3:1:	C[5]-4:C[6]-3:C[6]-3:N[5]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]H)2(N[5]C[5]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]C)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]C)(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]H)2(N[5]C[5]H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]C)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]C)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	112.6090	0.000	1	112.6090	0.000	1	112.8752	0.150	4	112.6797	4.580	23	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	4:3:3:3:	4:3:1:	4:3:1:	C[5]-4:C[6]-3:C[6]-3:N[5]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]H)2(N[5]C[5]O)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]H)2(N[5]C[5]O){3|C<3>,3|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	113.4420	0.000	1	113.4420	0.000	1	112.8752	0.150	4	112.6797	4.580	23	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	4:3:3:3:	4:3:1:	4:3:1:	C[5]-4:C[6]-3:C[6]-3:N[5]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6]H)2(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6]H)2(N[5]C[5]C){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	112.8010	0.000	1	112.8010	0.000	1	112.8752	0.150	4	112.6797	4.580	23	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	4:3:3:3:	4:3:1:	4:3:1:	C[5]-4:C[6]-3:C[6]-3:N[5]-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6](C[5]C[5]HH)(C[6]N[6]O)2(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]C)(O)	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]H)(O)	C[5,6](C[5]C[5]HH)(C[6]N[6]O)2(N[5]C[5]C){1|C<3>,1|C<4>,5|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]C)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]H)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	114.7930	0.000	1	114.7930	0.000	1	114.7930	0.000	1	112.6797	4.580	23	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	4:3:3:3:	4:3:1:	4:3:1:	C[5]-4:N[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[6]C[6]H)2	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]C)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]C)(H)	C[5,6](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[6]C[6]H)2{2|C<4>,6|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]C)(H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]C)(H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	113.1370	0.000	1	113.1370	0.000	1	113.1370	0.000	1	112.6797	4.580	23	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	4:3:3:3:	4:3:1:	4:3:1:	C[5]-4:N[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[6]N[6]O)2	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]H)(O)	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]H)(O)	C[5,6](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(C[6]N[6]O)2{1|Br<1>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]H)(O){1|H<1>,1|N<2>,1|N<3>,2|O<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]H)(O){1|H<1>,1|N<2>,1|N<3>,2|O<1>,3|C<3>}	113.4295	1.064	2	113.4295	1.133	2	113.4295	1.133	2	112.6797	4.580	23	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	4:3:3:3:	4:3:1:	4:3:2:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-2:	C[5,6](C[5]C[5]HH)(C[5]N[5]O)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(OC)	C[5,6](C[5]C[5]HH)(C[5]N[5]O)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(OC){1|C<3>,1|C<4>,1|N<3>,2|O<1>,3|H<1>}	113.2910	0.000	1	113.2910	0.000	1	113.2910	0.000	1	113.2910	0.000	1	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	4:3:3:3:	4:3:2:	4:3:1:	C[5,6]-4:C[6]-3:C[6]-3:N[5]-3:	C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]2)(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C)	C[6](C[5,6]C[5,6]C[6]N[5])(C[6]C[6]H)(OC)	C[6](C[5,6]C[5,6]C[6]N[5])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]2)(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C){1|O<1>,3|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[6]N[5])(C[6]C[6]H)(OC){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[6]N[5])(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>}	111.0395	0.398	2	111.0395	0.158	2	111.0395	0.158	2	111.0395	0.158	2	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	4:3:4:3:	4:3:1:	4:2:1:	C[5,5]-4:C[6]-3:C[5]-4:C[6]-3:	C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:O[6]-2:O-1:	C[5,6](C[5,5]C[5,5]C[5]O[5])(C[6]C[5,6]H)(C[5]C[5]HH)(C[6]O[6]O)	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5])(H)	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[5,6])(O)	C[5,6](C[5,5]C[5,5]C[5]O[5])(C[6]C[5,6]H)(C[5]C[5]HH)(C[6]O[6]O){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5])(H){1|C<3>,1|O<1>,2|O<2>,4|H<1>,5|C<4>}	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[5,6])(O){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	105.4050	0.000	1	104.6085	1.269	2	104.6085	1.269	2	104.6085	1.269	2	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	4:3:4:3:	4:3:1:	4:2:1:	C[5,5]-4:C[6]-3:C[5]-4:C[6]-3:	C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:O[6]-2:O-1:	C[5,6](C[5,5]C[5,5]C[5]O[5])(C[6]C[5,6]H)(C[5]C[5]HH)(C[6]O[6]O)	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5])(H)	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[5,6])(O)	C[5,6](C[5,5]C[5,5]C[5]O[5])(C[6]C[5,6]H)(C[5]C[5]HH)(C[6]O[6]O){2|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]C[5])(H){1|O<1>,2|O<2>,4|H<1>,6|C<4>}	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[5,6])(O){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	103.8120	0.000	1	104.6085	1.269	2	104.6085	1.269	2	104.6085	1.269	2	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	4:4:3:3:	3:4:1:	4:3:1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6]C[5,6]H)(C[6]C[6]O)	C[6](C[5,6]C[5,6]O[5])(C[5,6]C[5]2C[6])(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]H)(O)	C[5,6](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6]C[5,6]H)(C[6]C[6]O){1|H<1>,1|O<2>,7|C<3>}	C[6](C[5,6]C[5,6]O[5])(C[5,6]C[5]2C[6])(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]H)(O){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	116.0850	0.000	1	116.0850	0.000	1	116.0850	0.000	1	116.0850	0.000	1	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	4:4:3:3:	4:3:1:	4:3:1:	C[4,5]-4:C[5]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6](C[4,5]C[4]2C[5])(C[5]O[5]HH)(C[6]C[6]H)(C[6]N[6]O)	C[6](C[5,6]C[4,5]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5,6]C[4,5]C[5]C[6])(N[6]C[6]C)(O)	C[5,6](C[4,5]C[4]2C[5])(C[5]O[5]HH)(C[6]C[6]H)(C[6]N[6]O){2|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[4,5]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[4,5]C[5]C[6])(N[6]C[6]C)(O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	109.4980	0.000	1	109.4980	0.000	1	109.4980	0.000	1	112.6081	1.675	12	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	4:4:3:3:	4:3:1:	4:3:1:	C[5,5,6]-4:C[5]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5]C[5,5,6]HH)(C[6]C[6]H)2	C[6](C[5,6]C[5,5,6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[5,6]C[5,5,6]C[5]C[6])(C[6]C[6]C)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5]C[5,5,6]HH)(C[6]C[6]H)2{2|C<4>,8|C<3>}	C[6](C[5,6]C[5,5,6]C[5]C[6])(C[6]C[6]C)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,5,6]C[5]C[6])(C[6]C[6]C)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	113.1430	0.000	1	113.1430	0.000	1	113.1430	0.000	1	112.6081	1.675	12	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	4:4:3:3:	4:3:1:	4:3:1:	C[5,6]-4:C[5]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[6]2N[5])(C[5]C[5]HH)(C[6]C[6]H)2	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]2N[5])(C[5]C[5]HH)(C[6]C[6]H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]H)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]H)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	112.1005	0.272	2	112.1005	0.074	2	112.1005	0.074	2	112.6081	1.675	12	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	4:4:3:3:	4:3:1:	4:3:1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5]C[5]CH)(C[5]O[5]CH)(C[6]C[6]H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H)	C[5,6](C[5]C[5]CH)(C[5]O[5]CH)(C[6]C[6]H)2{1|H<1>,2|C<3>,2|O<2>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	113.6160	0.000	1	113.6160	0.000	1	112.6636	0.460	5	112.6081	1.675	12	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	4:4:3:3:	4:3:1:	4:3:1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]CC)(C[6]C[6]H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]CC)(C[6]C[6]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H){1|O<1>,2|H<1>,6|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H){1|O<1>,2|H<1>,6|C<3>}	112.2240	0.000	1	112.2240	0.000	1	112.6636	0.460	5	112.6081	1.675	12	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	4:4:3:3:	4:3:1:	4:3:1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[6]C[6]H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]CH)(C[6]C[6]H)2{2|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	112.1655	0.098	2	112.1655	0.010	2	112.6636	0.460	5	112.6081	1.675	12	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	4:4:3:3:	4:3:1:	4:3:1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5]C[6a]O[5]H)(C[5]C[5]CH)(C[6]C[6]H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)	C[5,6](C[5]C[6a]O[5]H)(C[5]C[5]CH)(C[6]C[6]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	113.1470	0.000	1	113.1470	0.000	1	112.6636	0.460	5	112.6081	1.675	12	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	4:4:3:3:	4:3:1:	4:3:1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6]N[6]O)2	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	C[5,6](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(C[6]N[6]O)2{2|C<4>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|C<4>,1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|C<4>,1|N<3>,2|H<1>,2|O<1>,3|C<3>}	114.7060	0.000	1	114.7060	0.000	1	113.7123	1.179	3	112.6081	1.675	12	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	4:4:3:3:	4:3:1:	4:3:1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O)2	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O)2{1|H<1>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|N<3>,2|O<1>,3|C<3>,3|H<1>}	113.8780	0.000	1	113.8780	0.000	1	113.7123	1.179	3	112.6081	1.675	12	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	4:4:3:3:	4:3:1:	4:3:1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6](C[5]C[6a]N[5]H)(C[5]C[5,5]HH)(C[6]N[6]O)2	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	C[5,6](C[5]C[6a]N[5]H)(C[5]C[5,5]HH)(C[6]N[6]O)2{3|C<4>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|N<3>,2|O<1>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|N<3>,2|O<1>,3|H<1>}	112.5530	0.000	1	112.5530	0.000	1	113.7123	1.179	3	112.6081	1.675	12	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	4:4:3:3:	4:3:2:	4:2:1:	C[5,5]-4:C[5]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:O[6]-2:O-1:	C[5,6](C[5,5]C[5]2O[5])(C[5]C[5]CH)(C[6]C[6]O)(C[6]O[6]O)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]H)(OC)	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[6])(O)	C[5,6](C[5,5]C[5]2O[5])(C[5]C[5]CH)(C[6]C[6]O)(C[6]O[6]O){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]H)(OC){1|C<3>,1|H<1>,1|O<1>,2|O<2>,5|C<4>}	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[6])(O){1|H<1>,2|C<3>,2|O<2>,5|C<4>}	105.9110	0.522	2	105.9110	0.272	2	105.9110	0.272	2	105.9110	0.272	2	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	4:4:3:3:	4:3:4:	4:3:1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:N[6]-3:O-1:	C[5,6](C[5]C[5]HH)2(C[6]C[6]C)(C[6]N[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5]2C[6])(N[6]C[6a]C[6])(O)	C[5,6](C[5]C[5]HH)2(C[6]C[6]C)(C[6]N[6]O){1|C<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(CH3){1|N<2>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6a]C[6])(O){1|N<2>,3|C<3>,3|C<4>,4|H<1>}	114.3670	0.000	1	114.3670	0.000	1	114.3670	0.000	1	114.3670	0.000	1	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	4:4:3:3:	4:3:4:	4:3:4:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5]C[5]HH)2(C[6]C[6]C)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(CHHO)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(CH3)	C[5,6](C[5]C[5]HH)2(C[6]C[6]C)2{1|C<3>,1|C<4>,5|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(CHHO){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	112.8440	0.000	1	112.8440	0.000	1	112.8440	0.000	1	112.8440	0.000	1	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	4:4:3:3:	4:4:1:	4:4:1:	C[5]-4:C[5]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6](C[5]C[5,6a]HH)2(C[6]C[6]O)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(O)	C[5,6](C[5]C[5,6a]HH)2(C[6]C[6]O)2{1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(O){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(O){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	111.4520	0.000	1	111.4520	0.000	1	111.4520	0.000	1	111.4520	0.000	1	112.7446	4.763	179	112.0686	8.477	210
474	762	762	6:SP3_SP2_SP2	C[5,6]	C[6]	C[6]	6:3:3:3:	4:3:1:	4:3:1:	C[5x3,6x5,20x6]-6:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]C)(C[6]C[6]H)2	C[6](C[5,6]C[5x3,6x5,20x6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5x3,6x5,20x6]C[5]C[6])(C[6]C[6]H)(H)	C[5,6](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]C)(C[6]C[6]H)2{1|C<4>,5|B<6>,7|H<1>}	C[6](C[5,6]C[5x3,6x5,20x6]C[5]C[6])(C[6]C[6]H)(H){1|C<6>,2|C<3>,2|C<4>,2|H<1>,4|B<6>}	C[6](C[5,6]C[5x3,6x5,20x6]C[5]C[6])(C[6]C[6]H)(H){1|C<6>,2|C<3>,2|C<4>,2|H<1>,4|B<6>}	109.8620	0.242	2	109.8620	0.058	2	109.8620	0.058	2	109.8620	0.058	2	112.7446	4.763	179	112.0686	8.477	210
474	762	786	0:SP3_SP2_SP3	C[5,6]	C[6]	B[5]	4:3:3:1:	3:4:1:	3:4:3:3:	B[5]-4:C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6](B[5]C[5,6a]C[6a]2)(C[5,6]C[5,6a]C[6])(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]B[5]H)(H)	B[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)2	C[5,6](B[5]C[5,6a]C[6a]2)(C[5,6]C[5,6a]C[6])(C[6]C[5,6]H)(H){1|C<4>,1|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]B[5]H)(H){1|B<4>,1|H<1>,7|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)2{2|H<1>,4|C<4>,8|C<3>}	127.0980	0.000	1	127.0980	0.000	1	127.0980	0.000	1	127.0980	0.000	1	127.0980	0.000	1	127.0980	0.000	1
474	762	790	0:SP3_SP-NON_SP2	C[5,3x6]	C[6,6]	Cl	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:Cl-1:	C[5,3x6]-4:N[6,6]-3:O-1:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)2(C[6,6]N[6,6]O)(Cl)	C[6,6](C[5,3x6]C[5,6,6]2Cl)(N[6,6]C[3x6]H)(O)	Cl(C[5,3x6]C[5,6,6]2C[6,6])	C[5,3x6](C[5,6,6]C[6,6]C[5]H)2(C[6,6]N[6,6]O)(Cl){1|C<4>,9|H<1>}	C[6,6](C[5,3x6]C[5,6,6]2Cl)(N[6,6]C[3x6]H)(O){1|Cl<1>,2|H<1>,4|C<4>}	Cl(C[5,3x6]C[5,6,6]2C[6,6])	109.5300	0.000	1	109.5300	0.000	1	109.5300	0.000	1	109.5300	0.000	1	110.2547	0.400	3	108.0638	15.936	5
474	762	790	0:SP3_SP-NON_SP2	C[5,3x6]	C[6,6]	Cl	4:4:3:1:	4:3:2:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:Cl-1:	C[5,3x6]-4:C[6,6]-3:O-2:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]C[3x6]C[5]O)(C[5,6,6]C[6,6]C[5]C)(C[6,6]C[6,6]O)(Cl)	C[6,6](C[5,3x6]C[5,6,6]2Cl)(C[6,6]C[3x6]H)(OC)	Cl(C[5,3x6]C[5,6,6]2C[6,6])	C[5,3x6](C[5,6,6]C[3x6]C[5]O)(C[5,6,6]C[6,6]C[5]C)(C[6,6]C[6,6]O)(Cl){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6,6](C[5,3x6]C[5,6,6]2Cl)(C[6,6]C[3x6]H)(OC){1|O<2>,3|C<3>,3|C<4>}	Cl(C[5,3x6]C[5,6,6]2C[6,6])	110.6170	0.109	2	110.6170	0.012	2	110.6170	0.012	2	110.6170	0.012	2	110.2547	0.400	3	108.0638	15.936	5
474	762	790	0:SP3_SP-NON_SP2	C[5,6]	C[6]	Cl	3:4:3:1:	3:4:1:	4:	C[5,6]-3:C[5]-4:C[6]-3:Cl-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]O)(C[5]C[5,5]CC)(C[6]C[6,6a]O)(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]Cl)(O)	Cl(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]O)(C[5]C[5,5]CC)(C[6]C[6,6a]O)(Cl){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]Cl)(O){1|O<1>,1|O<2>,2|C<3>,4|C<4>}	Cl(C[5,6]C[5,6]C[5]C[6])	108.4480	0.000	1	108.4480	0.000	1	108.4480	0.000	1	108.4480	0.000	1	104.7775	26.945	2	108.0638	15.936	5
474	762	790	0:SP3_SP-NON_SP2	C[5,6]	C[6]	Cl	4:4:3:1:	4:4:1:	4:	C[5,3x6]-4:C[5]-4:C[6]-3:Cl-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]ClH)(C[6]C[6]O)(Cl)	C[6](C[5,6]C[5,3x6]C[5]Cl)(C[6]C[6,6]HH)(O)	Cl(C[5,6]C[5,3x6]C[5]C[6])	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]ClH)(C[6]C[6]O)(Cl){1|C<3>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,3x6]C[5]Cl)(C[6]C[6,6]HH)(O){1|Cl<1>,1|N<3>,2|H<1>,4|C<4>}	Cl(C[5,6]C[5,3x6]C[5]C[6])	101.1070	0.000	1	101.1070	0.000	1	101.1070	0.000	1	101.1070	0.000	1	104.7775	26.945	2	108.0638	15.936	5
474	762	813	0:SP3_SP2_SP2	C[5,6]	C[6]	N[5,5a]	3:3:3:3:	4:3:1:	3:4:3:	C[5,5a]-3:N[5,5a]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5,6](C[5,5a]C[5,5a]C[5a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2	C[6](C[5,6]C[5,5a]N[5,5a]C[6])(C[6]C[6]C)(H)	N[5,5a](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,5a]C[6]2)(C[5a]C[5a]C[6a])	C[5,6](C[5,5a]C[5,5a]C[5a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2{1|H<1>,1|N<2>,1|S<2>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,5a]N[5,5a]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,5|C<3>}	N[5,5a](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,5a]C[6]2)(C[5a]C[5a]C[6a]){1|S<2>,2|H<1>,6|C<3>}	109.3950	0.387	2	109.3950	0.150	2	109.5168	0.122	4	110.5071	2.348	16	110.6934	2.541	18	110.6418	2.354	21
474	762	813	0:SP3_SP2_SP2	C[5,6]	C[6]	N[5,5a]	3:3:3:3:	4:3:1:	3:4:3:	C[5,5a]-3:N[5,5a]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5,6](C[5,5a]C[5,5a]S[5a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2	C[6](C[5,6]C[5,5a]N[5,5a]C[6])(C[6]C[6]C)(H)	N[5,5a](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,5a]C[6]2)(C[5a]C[5a]C[6a])	C[5,6](C[5,5a]C[5,5a]S[5a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2{1|N<2>,2|C<4>,5|C<3>}	C[6](C[5,6]C[5,5a]N[5,5a]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|S<2>,4|C<3>}	N[5,5a](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5,5a]C[6]2)(C[5a]C[5a]C[6a]){1|S<2>,2|H<1>,6|C<3>}	109.6385	0.394	2	109.6385	0.155	2	109.5168	0.122	4	110.5071	2.348	16	110.6934	2.541	18	110.6418	2.354	21
474	762	813	0:SP3_SP2_SP2	C[5,6]	C[6]	N[5,5a]	3:3:3:3:	4:3:1:	3:4:3:	C[5,6a]-3:N[5,5a]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:H-1:	C[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6,6]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6,6]C[6,6]O[6])(H)	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[5a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6,6]H)(C[6]C[6]H){1|N<2>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6,6]C[6,6]O[6])(H){1|H<1>,1|N<2>,6|C<3>}	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[5a]C[6a]){2|H<1>,7|C<3>}	112.5210	0.000	1	112.5210	0.000	1	112.2100	0.193	2	110.5071	2.348	16	110.6934	2.541	18	110.6418	2.354	21
474	762	813	0:SP3_SP2_SP2	C[5,6]	C[6]	N[5,5a]	3:3:3:3:	4:3:1:	3:4:3:	C[5,6a]-3:N[5,5a]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:H-1:	C[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6,6]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6,6]C[6,6]S[6])(H)	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[5a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6,6]H)(C[6]C[6]H){1|N<2>,1|S<2>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6,6]C[6,6]S[6])(H){1|H<1>,1|N<2>,6|C<3>}	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[5a]C[6a]){2|H<1>,7|C<3>}	111.8990	0.000	1	111.8990	0.000	1	112.2100	0.193	2	110.5071	2.348	16	110.6934	2.541	18	110.6418	2.354	21
474	762	813	0:SP3_SP2_SP2	C[5,6]	C[6]	N[5,5a]	3:3:3:3:	4:3:1:	3:4:3:	C[5,6a]-3:N[5,5a]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6,6]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6]C[6,6]H)(H)	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[5a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6,6]H)(C[6]C[6]H){1|N<2>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6]C[6,6]H)(H){1|H<1>,1|N<2>,5|C<3>}	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[5a]C[6a]){2|H<1>,7|C<3>}	109.3460	0.000	1	109.3160	0.002	2	110.5626	2.768	10	110.5071	2.348	16	110.6934	2.541	18	110.6418	2.354	21
474	762	813	0:SP3_SP2_SP2	C[5,6]	C[6]	N[5,5a]	3:3:3:3:	4:3:1:	3:4:3:	C[5,6a]-3:N[5,5a]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6,6]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6]C[6,6]H)(H)	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[5a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6,6]H)(C[6]C[6]H){1|N<2>,1|S<2>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6]C[6,6]H)(H){1|H<1>,1|N<2>,5|C<3>}	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[5a]C[6a]){2|H<1>,7|C<3>}	109.2860	0.000	1	109.3160	0.002	2	110.5626	2.768	10	110.5071	2.348	16	110.6934	2.541	18	110.6418	2.354	21
474	762	813	0:SP3_SP2_SP2	C[5,6]	C[6]	N[5,5a]	3:3:3:3:	4:3:1:	3:4:3:	C[5,6a]-3:N[5,5a]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6]C[6]C)(H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[6a]N[5a])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2{1|H<1>,1|N<2>,2|C<4>,5|C<3>}	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,5|C<3>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[6a]N[5a]){2|H<1>,7|C<3>}	111.1280	1.864	4	111.1280	3.475	4	110.5626	2.768	10	110.5071	2.348	16	110.6934	2.541	18	110.6418	2.354	21
474	762	813	0:SP3_SP2_SP2	C[5,6]	C[6]	N[5,5a]	3:3:3:3:	4:3:1:	3:4:3:	C[5,6a]-3:N[5,5a]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6]C[6]C)(H)	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[5a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[6]H)2{1|H<1>,1|N<2>,2|C<4>,5|C<3>}	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,5|C<3>}	N[5,5a](C[5,5a]C[5,6a]N[5a])(C[5,6]C[5,6a]C[6]2)(C[5a]C[5a]C[6a]){2|H<1>,7|C<3>}	110.6205	1.834	4	110.6205	3.362	4	110.5626	2.768	10	110.5071	2.348	16	110.6934	2.541	18	110.6418	2.354	21
474	762	813	0:SP3_SP2_SP2	C[5,6]	C[6]	N[5,5a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:N[5,5a]-3:C[6]-3:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[5,5a]-3:C[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[5]C[6])	C[6](C[5,6]C[5,6a]C[6,6a]N[5,5a])(C[5]N[5]2)(C[6]C[6]H)	N[5,5a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,5a]C[5,6a]N[5a])(C[5a]C[5a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(C[6]C[5]C[6]){3|H<1>,3|N<2>,7|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]N[5,5a])(C[5]N[5]2)(C[6]C[6]H){1|H<1>,8|C<3>}	N[5,5a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,5a]C[5,6a]N[5a])(C[5a]C[5a]C[6a]){9|C<3>}	113.4050	0.000	1	113.4050	0.000	1	113.4050	0.000	1	112.1845	2.979	2	110.6934	2.541	18	110.6418	2.354	21
474	762	813	0:SP3_SP2_SP2	C[5,6]	C[6]	N[5,5a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5,5a]-3:C[6,6a]-3:C[6]-3:	C[5,6]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[5a,6a]-3:C[5,5a]-3:	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(N[5,5a]C[5a,6a]C[5,5a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)	C[6](C[5,6]C[5,6a]C[6,6a]N[5,5a])(C[6]C[6]2)(C[6]C[6]H)	N[5,5a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]C[6a,6a])(C[5,5a]C[5,6a]N[5a])	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(N[5,5a]C[5a,6a]C[5,5a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]2){10|C<3>,1|N<2>,2|H<1>}	C[6](C[5,6]C[5,6a]C[6,6a]N[5,5a])(C[6]C[6]2)(C[6]C[6]H){3|H<1>,8|C<3>}	N[5,5a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]C[6a,6a])(C[5,5a]C[5,6a]N[5a]){9|C<3>}	110.9640	0.000	1	110.9640	0.000	1	110.9640	0.000	1	112.1845	2.979	2	110.6934	2.541	18	110.6418	2.354	21
474	762	813	0:SP3_SP2_SP2	C[5,6]	C[6]	N[5,6a]	3:3:4:3:	4:3:1:	3:4:3:	C[5,6a]-3:N[5,6a]-3:C[6]-4:C[6]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,6a]N[5,6a]C[6])(C[6]C[6]H)(O)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O){2|H<1>,2|O<1>,5|C<3>}	C[6](C[5,6]C[5,6a]N[5,6a]C[6])(C[6]C[6]H)(O){3|H<1>,5|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a,6a]O){1|O<1>,2|H<1>,7|C<3>}	109.5750	0.000	1	109.5750	0.000	1	109.5750	0.000	1	109.5750	0.000	1	109.5750	0.000	1	110.6418	2.354	21
474	762	813	0:SP3_SP2_SP2	C[5]	C[6]	N[5a]	3:3:2:2:	4:4:3:	3:3:4:	N[5a]-3:C[6]-3:N[5]-2:N[5]-2:	C[5]-4:C[6]-4:C[6]-3:	C[5a]-3:C[5a]-3:C[5]-4:	C[5](N[5a]C[5a]2)(C[6]C[6]2)(N[5]C[5])2	C[6](C[5]N[5a]N[5]2)(C[6]C[6]CH)(C[6]C[6]H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[5]C[6]N[5]2)	C[5](N[5a]C[5a]2)(C[6]C[6]2)(N[5]C[5])2{1|C<4>,1|N<2>,2|H<1>,7|C<3>}	C[6](C[5]N[5a]N[5]2)(C[6]C[6]CH)(C[6]C[6]H){1|C<4>,1|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[5]C[6]N[5]2){2|C<4>,7|C<3>}	111.8690	0.000	1	111.8690	0.000	1	111.8690	0.000	1	111.8690	0.000	1	110.7100	2.687	2	110.6418	2.354	21
474	762	813	0:SP3_SP2_SP2	C[5]	C[6]	N[5a]	3:3:3:3:	4:3:3:	4:3:2:	C[5,6a]-3:N[5a]-3:C[5]-3:C[6]-3:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:C[5a]-3:N[5a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(C[6]C[6]2)	C[6](C[5]C[5,6a]N[5a]C[5])(C[6]C[6]H)2	N[5a](C[5]C[5,6a]C[5]C[6])(C[5a]C[5a]H)(N[5a]N[5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(C[6]C[6]2){1|C<2>,1|N<2>,4|C<3>,5|H<1>}	C[6](C[5]C[5,6a]N[5a]C[5])(C[6]C[6]H)2{1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	N[5a](C[5]C[5,6a]C[5]C[6])(C[5a]C[5a]H)(N[5a]N[5a]){1|N<3>,1|O<1>,5|C<3>}	109.5510	0.000	1	109.5510	0.000	1	109.5510	0.000	1	109.5510	0.000	1	110.7100	2.687	2	110.6418	2.354	21
474	762	813	6:SP3_SP2_SP2	C[5,6]	C[6,6]	N[5a,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[5a,6]-3:C[6,6]-3:C[5]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:C[5a,6a]-3:C[5a,6]-3:	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O)	C[6,6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O)	N[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<4>,5|C<3>}	C[6,6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|O<1>,5|C<3>,5|H<1>}	N[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6]){1|O<1>,2|H<1>,7|C<3>}	108.1170	0.000	1	108.1170	0.000	1	108.1170	0.000	1	108.1973	0.023	3	108.1973	0.023	3	108.1973	0.023	3
474	762	813	6:SP3_SP2_SP2	C[5,6]	C[6,6]	N[5a,6]	3:3:3:3:	4:3:3:	4:3:3:	N[5a,6]-3:C[5,6a]-3:C[6,6]-3:C[5]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:C[5a,6a]-3:C[5a,6]-3:	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)	C[6,6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O)	N[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	N[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6]){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	108.2375	0.190	2	108.2375	0.036	2	108.2375	0.036	2	108.1973	0.023	3	108.1973	0.023	3	108.1973	0.023	3
474	762	813	6:SP3_SP2_SP3	C[5,6,6]	C[6,6]	N[5,5a,6]	3:3:4:4:	4:3:3:	4:3:3:	N[5,5a,6]-3:C[6,6]-3:C[5,6]-4:C-4:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	C[5,6,6]-4:B[5a,6]-3:N[5,5a]-3:	C[5,6,6](N[5,5a,6]B[5a,6]N[5,5a])(C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(CH3)	C[6,6](C[5,6,6]N[5,5a,6]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	N[5,5a,6](C[5,6,6]C[5,6]C[6,6]C)(B[5a,6]C[6,6a]O[5a])(N[5,5a]C[5a]B[5])	C[5,6,6](N[5,5a,6]B[5a,6]N[5,5a])(C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(CH3){1|O<2>,2|C<4>,5|C<3>}	C[6,6](C[5,6,6]N[5,5a,6]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|N<3>,2|B<3>,3|C<3>,3|H<1>}	N[5,5a,6](C[5,6,6]C[5,6]C[6,6]C)(B[5a,6]C[6,6a]O[5a])(N[5,5a]C[5a]B[5]){1|H<1>,1|O<1>,5|C<3>}	105.4490	0.000	1	105.4490	0.000	1	105.4490	0.000	1	105.4490	0.000	1	105.4490	0.000	1	105.4490	0.000	1
474	762	818	0:SP3_SP2_SP2	C[5,3x6]	C[6,6]	C[5,6]	4:3:3:3:	4:4:1:	4:4:4:	C[5,5,3x6]-4:C[5,6]-3:C[6,6]-3:C[6]-3:	C[5,3x6]-4:C[3x6]-4:O-1:	C[5,3x6]-4:C[5]-4:C[6]-4:	C[5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]O)(C[5,6]C[5]C[6])(C[6,6]C[3x6]O)(C[6]C[6,6a]O)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[3x6]C[6,6]2C)(O)	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]C[6])(C[5]C[5,5,6,6]HH)(C[6]C[6,6a]CC)	C[5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]O)(C[5,6]C[5]C[6])(C[6,6]C[3x6]O)(C[6]C[6,6a]O){2|H<1>,3|C<3>,7|C<4>}	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[3x6]C[6,6]2C)(O){1|C<3>,2|H<1>,3|O<1>,4|C<4>}	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]C[6])(C[5]C[5,5,6,6]HH)(C[6]C[6,6a]CC){3|C<3>,3|C<4>,3|O<1>}	105.5180	0.000	1	105.5180	0.000	1	105.5180	0.000	1	105.5180	0.000	1	105.5180	0.000	1	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,3x6]	C[6,6]	C[5]	3:4:3:3:	4:3:1:	4:3:1:	C[5,6,6]-3:C[3x6]-4:C[6,6]-3:C[5]-3:	C[5,3x6]-4:C[6,6]-3:Cl-1:	C[5,3x6]-4:N[5]-3:O-1:	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]Cl)(C[5]N[5]O)	C[6,6](C[5,3x6]C[5,6,6]C[3x6]C[5])(C[6,6]C[3x6]Cl)(Cl)	C[5](C[5,3x6]C[5,6,6]C[3x6]C[6,6])(N[5]C[5]C)(O)	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]Cl)(C[5]N[5]O){2|Cl<1>,1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[3x6]C[5])(C[6,6]C[3x6]Cl)(Cl){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,3x6]C[5,6,6]C[3x6]C[6,6])(N[5]C[5]C)(O){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	117.5875	0.141	2	117.5875	0.020	2	117.5875	0.020	2	117.5875	0.020	2	116.8865	31.366	4	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,3x6]	C[6,6]	C[5]	4:4:3:3:	4:3:1:	4:3:4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C[5]-3:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[5]-3:C-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(C[5]C[5]C)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]H)(H)	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]H)(CCHH)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(C[5]C[5]C){1|C<4>,2|O<1>,4|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]H)(H){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]H)(CCHH){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	122.9720	0.000	1	122.9720	0.000	1	116.1855	92.113	2	116.1855	92.113	2	116.8865	31.366	4	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,3x6]	C[6,6]	C[5]	4:4:3:3:	4:3:1:	4:3:4:	C[5,6,6]-4:C[6,6]-4:C[6,6]-3:C[5]-3:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[5]-3:C-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(C[5]C[5]C)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]H)(H)	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]H)(CH3)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]OO)(C[6,6]C[6,6]H)(C[5]C[5]C){1|C<4>,2|O<1>,4|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]H)(H){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]H)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	109.3990	0.000	1	109.3990	0.000	1	116.1855	92.113	2	116.1855	92.113	2	116.8865	31.366	4	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,3x6]	C[6]	C[5,6,6]	4:3:3:3:	4:3:1:	4:4:3:	C[5,3x6]-4:C[5,6,6]-3:C[5,6,6]-3:C[6]-3:	C[5,3x6]-4:C[6]-3:H-1:	C[5,3x6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,3x6](C[5,3x6]C[5,6,6a]2C[6,6a])(C[5,6,6]C[5,6,6]2)2(C[6]C[6]H)	C[6](C[5,3x6]C[5,3x6]C[5,6,6]2)(C[6]C[6,6a]C[6a])(H)	C[5,6,6](C[5,3x6]C[5,3x6]C[5,6,6]C[6])(C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2)	C[5,3x6](C[5,3x6]C[5,6,6a]2C[6,6a])(C[5,6,6]C[5,6,6]2)2(C[6]C[6]H){11|C<3>,2|C<4>}	C[6](C[5,3x6]C[5,3x6]C[5,6,6]2)(C[6]C[6,6a]C[6a])(H){2|C<4>,8|C<3>}	C[5,6,6](C[5,3x6]C[5,3x6]C[5,6,6]C[6])(C[5,6,6]C[5,6,6a]2C[6a])(C[5,6,6]C[5,6,6]2){11|C<3>,1|H<1>,2|C<4>}	104.9900	1.124	2	104.9900	1.264	2	104.9900	1.264	2	104.9900	1.264	2	104.9900	1.264	2	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,5,6,6]	C[6,6]	C[5]	4:3:3:3:	4:4:1:	4:3:4:	C[5,3x6]-4:C[6,6]-3:N[5,5]-3:C[5]-3:	C[5,5,6,6]-4:C[3x6]-4:O-1:	C[5,5,6,6]-4:C[5]-3:C-4:	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(N[5,5]C[5]2)(C[5]C[5]C)	C[6,6](C[5,5,6,6]C[5,3x6]N[5,5]C[5])(C[3x6]C[6,6]2H)(O)	C[5](C[5,5,6,6]C[5,3x6]C[6,6]N[5,5])(C[5]C[5]H)(CH3)	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(N[5,5]C[5]2)(C[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6,6](C[5,5,6,6]C[5,3x6]N[5,5]C[5])(C[3x6]C[6,6]2H)(O){2|H<1>,4|C<3>,4|C<4>}	C[5](C[5,5,6,6]C[5,3x6]C[6,6]N[5,5])(C[5]C[5]H)(CH3){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	113.1470	0.000	1	113.1470	0.000	1	113.1470	0.000	1	113.1470	0.000	1	115.6490	12.520	2	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,5,6,6]	C[6,6]	C[5]	4:4:3:3:	4:4:3:	4:2:1:	C[5,6,6]-4:C[5,5,6]-4:C[6,6]-3:C[5]-3:	C[5,5,6,6]-4:C[6,6]-4:C-3:	C[5,5,6,6]-4:O[5]-2:O-1:	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,5,6]C[5]C[6]O[5])(C[6,6]C[6,6]C)(C[5]O[5]O)	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5])(C[6,6]C[6]O[6]C)(CHH)	C[5](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6,6])(O[5]C[5])(O)	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,5,6]C[5]C[6]O[5])(C[6,6]C[6,6]C)(C[5]O[5]O){1|C<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5])(C[6,6]C[6]O[6]C)(CHH){1|C<3>,1|H<1>,1|O<1>,3|O<2>,4|C<4>}	C[5](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6,6])(O[5]C[5])(O){1|H<1>,1|O<2>,2|C<3>,5|C<4>}	118.1510	0.000	1	118.1510	0.000	1	118.1510	0.000	1	118.1510	0.000	1	115.6490	12.520	2	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,5,6,6]	C[6]	C[5,6]	4:4:3:3:	4:3:3:	4:4:3:	C[5,5,6]-4:C[5,6]-4:C[5,6]-3:C[6]-3:	C[5,5,6,6]-4:C[5a,6]-3:C-3:	C[5,5,6,6]-4:C[5,6]-4:C-3:	C[5,5,6,6](C[5,5,6]N[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(C[6]C[5a,6]C)	C[6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[5a,6]C[5a,6]N[5a])(CHH)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]N[5,5,6]HH)(CCH)	C[5,5,6,6](C[5,5,6]N[5,5,6]C[6]H)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(C[6]C[5a,6]C){1|C<3>,1|N<3>,6|H<1>}	C[6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[5a,6]C[5a,6]N[5a])(CHH){1|N<3>,3|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6])(C[5,6]N[5,5,6]HH)(CCH){2|C<3>,2|C<4>,3|H<1>}	119.2900	0.000	1	119.2900	0.000	1	119.2900	0.000	1	119.2900	0.000	1	119.2900	0.000	1	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,5,6]	C[6]	C[5,5]	2:3:4:3:	4:3:1:	4:4:3:	O[5,6]-2:C[5,5]-3:C[5]-4:C[6]-3:	C[5,5,6]-4:C[6]-3:O-1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,5,6](O[5,6]C[5,6])(C[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]O)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]H)(O)	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]H)	C[5,5,6](O[5,6]C[5,6])(C[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,7|H<1>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]H)(O){1|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5,6]O[5,6]C[5]C[6])(C[5]C[5,6]HH)(C[5]C[5]H){1|O<1>,2|C<3>,5|H<1>}	110.6360	0.000	1	110.6360	0.000	1	110.6360	0.000	1	110.6360	0.000	1	110.6360	0.000	1	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	4:3:1:	C[5,6]-3:N[5,5]-3:C[5]-3:C[6]-3:	C[5,5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6](C[5,6]C[5]C[6])(N[5,5]C[5]2)(C[5]C[5]H)(C[6]C[6]H)	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]N)(H)	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[5]C[5]H)(H)	C[5,5,6](C[5,6]C[5]C[6])(N[5,5]C[5]2)(C[5]C[5]H)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,6|H<1>}	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]N)(H){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[5]C[5]H)(H){1|C<4>,3|C<3>,3|H<1>}	111.2590	0.000	1	111.2590	0.000	1	111.2590	0.000	1	111.2590	0.000	1	111.8041	6.706	8	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,5,6]	C[6]	C[5]	4:3:3:3:	4:3:1:	4:3:1:	C[5,6]-4:N[5,5]-3:C[5]-3:C[6]-3:	C[5,5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:N[5]-3:S-1:	C[5,5,6](C[5,6]C[6]S[5]H)(N[5,5]B[5]C[5])(C[5]N[5]S)(C[6]C[6]H)	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]H)(H)	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(N[5]C[6a]B[5])(S)	C[5,5,6](C[5,6]C[6]S[5]H)(N[5,5]B[5]C[5])(C[5]N[5]S)(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]H)(H){1|B<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,1|S<2>,2|C<3>}	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(N[5]C[6a]B[5])(S){1|S<2>,2|H<1>,7|C<3>}	108.6480	0.157	2	108.6480	0.025	2	108.6480	0.025	2	108.6480	0.025	2	111.8041	6.706	8	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,5,6]	C[6]	C[5]	4:3:3:3:	4:3:1:	4:3:3:	C[5,6]-4:C[5]-3:N[5,5]-3:C[6]-3:	C[5,5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[6a]-3:C[5]-3:	C[5,5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(N[5,5]C[5]2)(C[6]C[6]H)	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]C)(H)	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[6a]C[6a]2)(C[5]C[5]I)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(N[5,5]C[5]2)(C[6]C[6]H){1|I<1>,2|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[6a]C[6a]2)(C[5]C[5]I){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	112.8540	0.000	1	112.8540	0.000	1	114.2637	1.493	3	113.9955	1.283	4	111.8041	6.706	8	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,5,6]	C[6]	C[5]	4:3:3:3:	4:3:1:	4:3:3:	C[5,6]-4:C[5]-3:N[5,5]-3:C[6]-3:	C[5,5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[6a]-3:C[5]-3:	C[5,5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(N[5,5]C[5]2)(C[6]C[6]H)	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]H)(H)	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[6a]C[6a]2)(C[5]C[5]I)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(N[5,5]C[5]2)(C[6]C[6]H){1|I<1>,2|O<1>,3|C<3>,5|H<1>}	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[6a]C[6a]2)(C[5]C[5]I){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	114.9685	0.071	2	114.9685	0.005	2	114.2637	1.493	3	113.9955	1.283	4	111.8041	6.706	8	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,5,6]	C[6]	C[5]	4:3:3:3:	4:3:1:	4:3:3:	C[5,6]-4:N[5,5]-3:C[5]-3:C[6]-3:	C[5,5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[6a]-3:C[5]-3:	C[5,5,6](C[5,6]C[5]C[6]H)(N[5,5]C[5]S[5])(C[5]C[6a]C[5])(C[6]C[6]H)	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]H)(H)	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[6a]C[6a]2)(C[5]C[5]I)	C[5,5,6](C[5,6]C[5]C[6]H)(N[5,5]C[5]S[5])(C[5]C[6a]C[5])(C[6]C[6]H){1|I<1>,2|O<1>,4|C<3>,6|H<1>}	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|S<4>,2|C<3>,3|C<4>}	C[5](C[5,5,6]C[5,6]N[5,5]C[6])(C[6a]C[6a]2)(C[5]C[5]I){1|S<4>,2|C<4>,4|C<3>,5|H<1>}	113.1910	0.000	1	113.1910	0.000	1	113.1910	0.000	1	113.9955	1.283	4	111.8041	6.706	8	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,5,6]	C[6]	C[5]	4:4:3:3:	4:2:1:	4:4:3:	C[5,5,6]-4:C[5]-4:C[5]-3:C[6]-3:	C[5,5,6]-4:O[6]-2:O-1:	C[5,5,6]-4:C[5]-4:C-3:	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5]C[5]HH)(C[5]C[5]C)(C[6]O[6]O)	C[6](C[5,5,6]C[5,5,6]C[5]2)(O[6]C[6])(O)	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CHH)	C[5,5,6](C[5,5,6]C[5]C[6]O[5])(C[5]C[5]HH)(C[5]C[5]C)(C[6]O[6]O){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(O[6]C[6])(O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]HH)(CHH){1|C<3>,1|C<4>,1|O<1>,2|O<2>,4|H<1>}	109.8960	0.000	1	109.8960	0.000	1	109.8960	0.000	1	109.8960	0.000	1	111.8041	6.706	8	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6,6]	C[6,6]	C[5,6]	3:4:3:2:	4:3:3:	4:4:3:	C[6,6]-3:C[6,6]-4:C[5,6]-3:O[5]-2:	C[5,6,6]-4:C[5,6,6]-3:C[6]-3:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5,6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(O[5]C[5])	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6,6]C[5,6]2)(C[6]C[6]C)	C[5,6](C[5,6,6]C[6,6]2O[5])(C[6]C[5,6]HO)(C[5]C[5]C)	C[5,6,6](C[6,6]C[5,6,6]C[6])(C[6,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,3|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6,6]C[5,6]2)(C[6]C[6]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>,7|C<4>}	C[5,6](C[5,6,6]C[6,6]2O[5])(C[6]C[5,6]HO)(C[5]C[5]C){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	113.0860	0.000	1	113.0860	0.000	1	113.0860	0.000	1	113.0860	0.000	1	113.0860	0.000	1	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6,6]	C[6,6]	C[5]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6]-3:N[5,6]-3:C[5]-3:C[6]-3:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	C[5,6,6]-4:C[6a]-3:C[5]-3:	C[5,6,6](C[6,6]C[6,6a]C[6])(N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H)	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]Br)	C[5,6,6](C[6,6]C[6,6a]C[6])(N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H){1|Br<1>,1|O<1>,4|H<1>,5|C<3>}	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]Br){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	112.0270	0.000	1	112.0270	0.000	1	112.0270	0.000	1	112.0270	0.000	1	107.7768	15.866	18	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6,6]	C[6,6]	C[5]	3:4:4:3:	4:4:3:	4:3:1:	C[6,6]-3:C[5,6]-4:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6,6]-4:C[6]-3:	C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H)	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]H){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|C<3>,2|O<1>,4|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(H){2|C<3>,2|C<4>,5|H<1>}	106.9290	0.253	2	106.9290	0.064	2	106.9290	0.064	2	106.9290	0.064	2	107.7768	15.866	18	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6,6]	C[6,6]	C[5]	4:3:3:1:	4:4:1:	4:2:3:	C[5,3x6]-4:C[5]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:O-1:	C[5,6,6]-4:N[5]-2:C[6a]-3:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5]C[6a]N[5])(C[6,6]C[3x6]O)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(O)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(N[5]C[5,6,6])(C[6a]C[6a]2)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5]C[6a]N[5])(C[6,6]C[3x6]O)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(O){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(N[5]C[5,6,6])(C[6a]C[6a]2){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	103.3720	0.383	4	103.3720	0.147	4	103.3720	0.147	4	103.3720	0.147	4	107.7768	15.866	18	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6,6]	C[6,6]	C[5]	4:3:3:1:	4:4:1:	4:3:1:	C[5,3x6]-4:C[6,6]-3:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:O-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[5]N[5]O)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[3x6]C[6,6]H)(O)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(N[5]C[5,3x6]H)(O)	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[5]N[5]O)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[3x6]C[6,6]H)(O){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(N[5]C[5,3x6]H)(O){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	105.1330	0.000	1	105.1330	0.000	1	105.1330	0.000	1	105.1330	0.000	1	107.7768	15.866	18	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6,6]	C[6,6]	C[5]	4:3:3:2:	4:4:1:	4:4:3:	C[5,3x6]-4:C[6,6]-3:C[5]-3:O-2:	C[5,6,6]-4:C[3x6]-4:O-1:	C[5,6,6]-4:C[5]-4:C-3:	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[5]C[5]C)(OSi)	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[3x6]C[3x6]C[6,6]H)(O)	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,3x6]HH)(CHH)	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[5]C[5]C)(OSi){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[3x6]C[3x6]C[6,6]H)(O){1|C<3>,4|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]O)(C[5]C[5,3x6]HH)(CHH){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	107.6940	0.000	1	107.6940	0.000	1	107.6940	0.000	1	107.6940	0.000	1	107.7768	15.866	18	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6,6]	C[6,6]	C[5]	4:3:3:3:	4:4:1:	4:3:1:	C[3x6]-4:C[6,6]-3:C[5]-3:C[5]-3:	C[5,6,6]-4:C[3x6]-4:O-1:	C[5,6,6]-4:C[5]-3:O-1:	C[5,6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]O)(C[5]C[5]O)2	C[6,6](C[5,6,6]C[3x6]C[5]2)(C[3x6]C[6,6,6a]2H)(O)	C[5](C[5,6,6]C[3x6]C[6,6]C[5])(C[5]C[5]H)(O)	C[5,6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]O)(C[5]C[5]O)2{3|H<1>,4|C<3>}	C[6,6](C[5,6,6]C[3x6]C[5]2)(C[3x6]C[6,6,6a]2H)(O){1|H<1>,2|O<1>,6|C<3>}	C[5](C[5,6,6]C[3x6]C[6,6]C[5])(C[5]C[5]H)(O){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	110.8585	0.904	2	110.8585	0.818	2	110.8585	0.818	2	110.8585	0.818	2	107.7768	15.866	18	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6,6]	C[6,6]	C[5]	4:3:4:3:	4:4:1:	4:2:1:	C[5,6]-4:C[6,6]-3:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6,6]-4:O-1:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(C[5]O[5]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]2C)(O)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(O)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]O)(C[6]N[6]HH)(C[5]O[5]O){4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]2C)(O){1|N<3>,1|O<1>,1|O<2>,2|C<4>,7|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(O){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	108.8220	0.000	1	108.8220	0.000	1	108.8220	0.000	1	108.8220	0.000	1	107.7768	15.866	18	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6,6]	C[6,6]	C[5]	4:3:4:3:	4:4:2:	4:2:1:	C[5,5,6]-4:C[6,6]-3:C[6,6]-4:C[5]-3:	C[5,6,6]-4:C[6,6]-4:N[6]-2:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[6,6]N[6])(C[6,6]C[6]2H)(C[5]O[5]O)	C[6,6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6,6]C[6]O[6]H)(N[6]C[6])	C[5](C[5,6,6]C[5,5,6]C[6,6]2)(O[5]C[5,5])(O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[6,6]N[6])(C[6,6]C[6]2H)(C[5]O[5]O){1|C<3>,2|O<2>,4|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6,6]C[6]O[6]H)(N[6]C[6]){1|O<1>,1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,5,6]C[6,6]2)(O[5]C[5,5])(O){1|C<3>,1|N<2>,1|O<2>,3|C<4>,3|H<1>}	104.7820	0.000	1	104.7820	0.000	1	104.7820	0.000	1	104.7820	0.000	1	107.7768	15.866	18	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6,6]	C[6,6]	C[5]	4:3:4:3:	4:4:3:	4:2:1:	C[5,6,6]-4:C[6,6]-3:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6,6]-4:C[6]-3:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[5]O[5]O)	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2C)(C[6]C[5,6]H)	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(O)	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[5]O[5]O){4|H<1>,7|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6]2C)(C[6]C[5,6]H){1|C<3>,1|O<1>,2|O<2>,5|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])(O){1|C<3>,4|C<4>,4|H<1>}	105.0670	0.000	1	105.0670	0.000	1	105.0670	0.000	1	112.1037	37.435	3	107.7768	15.866	18	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6,6]	C[6,6]	C[5]	4:3:4:3:	4:4:3:	4:2:1:	C[5,6]-4:C[6,6]-3:C[6]-4:C[5]-3:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(C[5]O[5]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]H)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(O)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2)(C[6]C[6]HH)(C[5]O[5]O){5|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]CC)(C[6]C[6]H){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(O[5]C[5])(O){1|C<3>,3|C<4>,5|H<1>}	115.6220	0.774	2	115.6220	0.598	2	115.6220	0.598	2	112.1037	37.435	3	107.7768	15.866	18	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6,6]	C[6,6]	C[5]	4:4:3:3:	4:3:4:	4:3:1:	C[5,6]-4:C[6]-4:C[6,6]-3:C[5]-3:	C[5,6,6]-4:C[6]-3:C[6]-4:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HO)(C[6,6]C[6]2)(C[5]N[5]O)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6,6]H)(C[6]C[6]HO)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(N[5]C[5]H)(O)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HO)(C[6,6]C[6]2)(C[5]N[5]O){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6,6]H)(C[6]C[6]HO){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(N[5]C[5]H)(O){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	106.6570	0.000	1	106.6570	0.000	1	106.6570	0.000	1	106.6570	0.000	1	107.7768	15.866	18	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6,6]	C[6,6]	C[5]	4:4:3:3:	4:4:3:	4:2:1:	C[6,6]-4:C[5,6]-4:C[6,6]-3:C[5]-3:	C[5,6,6]-4:C[6,6]-4:C-3:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]O)(C[6,6]C[6,6]C)(C[5]O[5]O)	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6]O[6]C)(CHH)	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5])(O)	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]O)(C[6,6]C[6,6]C)(C[5]O[5]O){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6]O[6]C)(CHH){1|H<1>,1|O<1>,2|C<3>,3|C<4>,3|O<2>}	C[5](C[5,6,6]C[5,6]C[6,6]2)(O[5]C[5])(O){1|H<1>,1|O<2>,3|C<3>,4|C<4>}	109.4940	0.000	1	109.4940	0.000	1	109.4940	0.000	1	109.4940	0.000	1	107.7768	15.866	18	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6,6]	C[6]	C[5,6,6]	4:3:3:4:	4:3:1:	4:4:3:	C[5,5,6,6]-4:C[5,6,6]-3:C[6]-3:C-4:	C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-3:	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6,6]C[5,5,6,6]C[6])(C[6]C[6]H)(CH3)	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]C)(C[6]C[6]H)(H)	C[5,6,6](C[5,5,6,6]C[5,6]2O[5,5])(C[5,6,6]C[5,5,6,6]C[6]C)(C[6]C[6]H)	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6,6]C[5,5,6,6]C[6])(C[6]C[6]H)(CH3){2|Cl<1>,1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[5,6,6](C[5,5,6,6]C[5,6]2O[5,5])(C[5,6,6]C[5,5,6,6]C[6]C)(C[6]C[6]H){1|C<3>,4|C<4>,6|H<1>}	110.4300	0.000	1	110.4300	0.000	1	110.4300	0.000	1	110.4300	0.000	1	110.4300	0.000	1	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6,6]	C[6]	C[5,6]	3:2:4:3:	4:3:1:	4:3:4:	C[5,6]-3:O[5,6]-2:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6]-3:Br-1:	C[5,6,6]-4:C[5]-3:C[6]-4:	C[5,6,6](C[5,6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(C[6]C[6]Br)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]Br)(Br)	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]H)(C[6]C[6]HO)	C[5,6,6](C[5,6]C[5]C[6])(O[5,6]C[5,6])(C[6]C[6]HH)(C[6]C[6]Br){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]Br)(Br){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]H)(C[6]C[6]HO){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	109.9410	0.000	1	109.9410	0.000	1	109.9410	0.000	1	109.9410	0.000	1	109.1972	7.295	8	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6,6]	C[6]	C[5,6]	3:3:2:4:	4:3:1:	4:3:4:	C[5,6]-3:C[6]-3:O[5,6]-2:C[6]-4:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[5,6,6]-4:C[5]-3:C[6]-4:	C[5,6,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(O[5,6]C[5,6])(C[6]C[6]HH)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]H)(C[6]O[6]HH)	C[5,6,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(O[5,6]C[5,6])(C[6]C[6]HH){1|O<2>,2|C<3>,6|H<1>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(O){3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]H)(C[6]O[6]HH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	108.0500	0.000	1	108.0500	0.000	1	108.0500	0.000	1	108.0500	0.000	1	109.1972	7.295	8	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6,6]	C[6]	C[5,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[5,6,6]-3:C[6]-3:	C[5,6,6]-4:C[5,6]-3:C[6a]-3:	C[5,6,6]-4:C[5,6]-3:C[5]-3:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6,6]C[5,6]2)(C[6]C[5,6]C[6a])	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6,6]C[5,6]2)(C[6]C[5,6]C[6a]){10|C<3>,1|H<1>,1|O<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2){11|C<3>,2|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O){9|C<3>}	115.6040	0.000	1	115.6040	0.000	1	115.6040	0.000	1	115.6040	0.000	1	109.1972	7.295	8	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6,6]	C[6]	C[5,6]	3:3:4:3:	4:3:1:	4:4:3:	C[5,6]-3:C[5,6]-3:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6]-3:O-1:	C[5,6,6]-4:C[6,6]-4:C[5]-3:	C[5,6,6](C[5,6]C[6,6]C[5])(C[5,6]C[5,6]O)(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(O)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]H)	C[5,6,6](C[5,6]C[6,6]C[5])(C[5,6]C[5,6]O)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(O){1|Si<4>,1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6]H){2|C<3>,2|O<1>,3|C<4>,6|H<1>}	107.4790	0.000	1	107.4790	0.000	1	107.4790	0.000	1	107.4790	0.000	1	109.1972	7.295	8	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6,6]	C[6]	C[5,6]	3:4:3:3:	4:3:1:	4:4:3:	C[6,6a]-3:C[5,6]-4:C[5,6]-3:C[6]-3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[5,6,6]C[6,6a]C[5,6]2)(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,7|H<1>}	C[6](C[5,6,6]C[6,6a]C[5,6]2)(C[6]C[6]H)(H){2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	108.1100	0.000	1	108.1100	0.000	1	108.1100	0.000	1	108.1100	0.000	1	109.1972	7.295	8	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6,6]	C[6]	C[5,6]	4:3:3:3:	4:3:1:	4:4:3:	C[5,6]-4:C[5,6]-3:C[6]-3:C[6]-3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]Cl)(C[6]C[6]H)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]Cl)	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]Cl)(C[6]C[6]H){1|Cl<1>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(H){1|Cl<1>,2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]Cl){1|Cl<1>,1|C<4>,1|O<1>,3|C<3>,3|H<1>}	108.5680	0.000	1	108.5680	0.000	1	108.5680	0.000	1	108.5680	0.000	1	109.1972	7.295	8	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6,6]	C[6]	C[5,6]	4:3:4:3:	4:3:1:	4:3:4:	C[5,6]-4:C[5,6]-3:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,5]-3:C[6]-4:	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5,5]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,5]C[5,5]N[5])(C[6]N[6]HH)	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5,5]C[6])(C[6]C[6]HH)(C[6]C[6]H){2|C<3>,2|N<3>,8|H<1>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,5]C[5,5]N[5])(C[6]N[6]HH){2|C<4>,2|S<4>,3|C<3>,5|H<1>}	107.5110	0.000	1	107.5110	0.000	1	107.5110	0.000	1	107.5110	0.000	1	109.1972	7.295	8	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6,6]	C[6]	C[5,6]	4:3:4:3:	4:4:1:	4:3:4:	C[5,6,6]-4:C[5,6]-3:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[5,6]-3:C[6]-4:	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]2)(C[5,6]C[6]O[5])(C[6]C[6]HH)	C[5,6,6](C[5,6,6]C[6,6]O[5]H)(C[5,6]C[5,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6]2)(C[5,6]C[6]O[5])(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	108.3150	0.000	1	108.3150	0.000	1	108.3150	0.000	1	108.3150	0.000	1	109.1972	7.295	8	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	4:3:3:	C[6,6]-3:N[5,6]-3:C[5]-3:C[6]-3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6a]-3:C[5]-3:	C[5,6,6](C[6,6]C[6,6a]C[6])(N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H)	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]Br)	C[5,6,6](C[6,6]C[6,6a]C[6])(N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H){1|Br<1>,1|O<1>,4|H<1>,5|C<3>}	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|O<1>,5|C<3>}	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]Br){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	105.4920	0.000	1	105.4920	0.000	1	105.4920	0.000	1	105.4920	0.000	1	110.8540	12.606	27	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6,6]	C[6]	C[5]	3:3:3:4:	4:3:1:	4:3:3:	N[5,6,6]-3:C[5]-3:C[6]-3:C[6]-4:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[5,6,6]-4:C[5]-3:C[6a]-3:	C[5,6,6](N[5,6,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](C[5,6,6]N[5,6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5](C[5,6,6]N[5,6,6]C[6]2)(C[5]C[5,6]C)(C[6a]C[6a]2)	C[5,6,6](N[5,6,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6](C[5,6,6]N[5,6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){2|C<4>,3|H<1>,5|C<3>}	C[5](C[5,6,6]N[5,6,6]C[6]2)(C[5]C[5,6]C)(C[6a]C[6a]2){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	120.2150	0.000	1	120.2150	0.000	1	120.2150	0.000	1	120.2150	0.000	1	110.8540	12.606	27	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6,6]	C[6]	C[5]	3:3:4:3:	4:3:1:	4:3:3:	N[5,6]-3:C[5]-3:C[6,6]-4:C[6]-3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6a]-3:C[5]-3:	C[5,6,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6,6]C[6]2H)(C[6]C[6]H)	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]I)	C[5,6,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6,6]C[6]2H)(C[6]C[6]H){1|C<4>,1|I<1>,1|O<1>,4|C<3>,6|H<1>}	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]I){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	110.6610	0.000	1	110.6610	0.000	1	110.6610	0.000	1	110.6610	0.000	1	110.8540	12.606	27	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6,6]	C[6]	C[5]	4:3:3:3:	4:3:1:	4:3:1:	C[6,6]-4:N[5,6]-3:C[5]-3:C[6]-3:	C[5,6,6]-4:C[6]-3:O-1:	C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[6,6]C[5a,6]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]H)(C[6]C[6]O)	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]H)(O)	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]H)(H)	C[5,6,6](C[6,6]C[5a,6]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]H)(C[6]C[6]O){1|O<1>,4|C<3>,5|H<1>}	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]H)(O){2|H<1>,3|C<3>,3|C<4>}	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]H)(H){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	108.2720	0.000	1	108.2720	0.000	1	108.2720	0.000	1	108.2720	0.000	1	110.8540	12.606	27	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6,6]	C[6]	C[5]	4:3:3:3:	4:3:1:	4:3:3:	C[6,6]-4:N[5,6]-3:C[5]-3:C[6]-3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6a]-3:C[5]-3:	C[5,6,6](C[6,6]C[6]O[6]H)(N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H)	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]Br)	C[5,6,6](C[6,6]C[6]O[6]H)(N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6]C[6]H){1|Br<1>,1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]Br){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	109.2820	0.000	1	109.2820	0.000	1	109.2820	0.000	1	109.2820	0.000	1	110.8540	12.606	27	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6,6]	C[6]	C[5]	4:3:3:3:	4:3:1:	4:3:4:	C[6,6]-4:N[5,6]-3:C[5]-3:C[6]-3:	C[5,6,6]-4:C[6]-3:O-1:	C[5,6,6]-4:C[5]-3:C-4:	C[5,6,6](C[6,6]C[5a,6]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6]O)	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]H)(O)	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]H)(CCHH)	C[5,6,6](C[6,6]C[5a,6]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]C)(C[6]C[6]O){1|O<1>,4|C<3>,5|H<1>}	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]H)(O){1|H<1>,3|C<3>,4|C<4>}	C[5](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]H)(CCHH){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	108.7950	0.000	1	108.7950	0.000	1	108.7950	0.000	1	108.7950	0.000	1	110.8540	12.606	27	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6,6]	C[6]	C[5]	4:3:3:3:	4:3:1:	4:4:3:	C[5,6,6]-4:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5]-4:C-3:	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(C[6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]H)(H)	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]N[5,6]HH)(CCH)	C[5,6,6](C[5,6,6]N[5,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(C[6]C[6]H){1|C<4>,3|C<3>,6|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]H)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]N[5,6]HH)(CCH){1|C<4>,2|H<1>,4|C<3>}	114.0590	0.000	1	114.0590	0.000	1	114.0590	0.000	1	114.0590	0.000	1	110.8540	12.606	27	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6,6]	C[6]	C[5]	4:4:3:3:	4:2:1:	4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6,6]-4:O[6]-2:O-1:	C[5,6,6]-4:C[5]-3:O-1:	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6,6])(O)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6,6])(O){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	111.5760	0.000	1	111.3060	0.146	2	111.0507	2.302	12	111.0507	2.302	12	110.8540	12.606	27	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6,6]	C[6]	C[5]	4:4:3:3:	4:2:1:	4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6,6]-4:O[6]-2:O-1:	C[5,6,6]-4:C[5]-3:O-1:	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6,6])(O)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O){1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6,6])(O){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	111.0360	0.000	1	111.3060	0.146	2	111.0507	2.302	12	111.0507	2.302	12	110.8540	12.606	27	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6,6]	C[6]	C[5]	4:4:3:3:	4:2:1:	4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6,6]-4:O[6]-2:O-1:	C[5,6,6]-4:C[5]-3:O-1:	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)(C[6]O[6]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6,6])(O)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)(C[6]O[6]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6,6])(O){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	111.2014	0.571	5	111.2014	0.326	5	111.0507	2.302	12	111.0507	2.302	12	110.8540	12.606	27	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6,6]	C[6]	C[5]	4:4:3:3:	4:2:1:	4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6,6]-4:O[6]-2:O-1:	C[5,6,6]-4:C[5]-3:O-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6])(O)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6])(O){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	112.5590	0.028	2	110.7978	5.828	5	111.0507	2.302	12	111.0507	2.302	12	110.8540	12.606	27	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6,6]	C[6]	C[5]	4:4:3:3:	4:2:1:	4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6,6]-4:O[6]-2:O-1:	C[5,6,6]-4:C[5]-3:O-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6])(O)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O){1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6])(O){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	109.8360	3.564	2	110.7978	5.828	5	111.0507	2.302	12	111.0507	2.302	12	110.8540	12.606	27	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6,6]	C[6]	C[5]	4:4:3:3:	4:2:1:	4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6,6]-4:O[6]-2:O-1:	C[5,6,6]-4:C[5]-3:O-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6])(O)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O){2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6])(O){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	109.1990	0.000	1	110.7978	5.828	5	111.0507	2.302	12	111.0507	2.302	12	110.8540	12.606	27	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6,6]	C[6]	C[5]	4:4:3:3:	4:2:1:	4:4:1:	C[5,6]-4:C[6,6]-4:C[5]-3:C[6]-3:	C[5,6,6]-4:N[6]-2:O-1:	C[5,6,6]-4:C[5,5]-4:O-1:	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6]2H)(C[5]C[5,5]O)(C[6]N[6]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(N[6]C[6])(O)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,5]C[5,5]C[5]H)(O)	C[5,6,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6]2H)(C[5]C[5,5]O)(C[6]N[6]O){3|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(N[6]C[6])(O){1|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,5]C[5,5]C[5]H)(O){1|C<3>,1|N<2>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	103.6300	0.000	1	103.6300	0.000	1	103.6300	0.000	1	108.5682	13.492	4	110.8540	12.606	27	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6,6]	C[6]	C[5]	4:4:3:3:	4:2:1:	4:4:1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6,6]-4:O[6]-2:O-1:	C[5,6,6]-4:C[5]-4:O-1:	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)(C[6]O[6]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6,6])(O)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)(O)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)(C[6]O[6]O){1|O<2>,3|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6,6])(O){1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)(O){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	111.3025	0.926	2	111.3025	0.857	2	110.2143	3.981	3	108.5682	13.492	4	110.8540	12.606	27	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6,6]	C[6]	C[5]	4:4:3:3:	4:2:1:	4:4:1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6,6]-4:O[6]-2:O-1:	C[5,6,6]-4:C[5]-4:O-1:	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6])(O)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)(O)	C[5,6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]O[6]O){4|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(O[6]C[6])(O){1|O<1>,4|C<4>,5|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)(O){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	108.0380	0.000	1	108.0380	0.000	1	110.2143	3.981	3	108.5682	13.492	4	110.8540	12.606	27	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6,6]	C[6]	C[5]	4:4:3:3:	4:3:1:	4:4:1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6,6]-4:C[6]-3:O-1:	C[5,6,6]-4:C[5]-4:O-1:	C[5,6,6](C[6,6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]C[6]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[3x6]O)(O)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)(O)	C[5,6,6](C[6,6]C[4x6]C[6]H)(C[5,6]C[5,6]HH)(C[5]C[5]O)(C[6]C[6]O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[3x6]O)(O){1|O<1>,3|H<1>,5|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)(O){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	113.4520	0.000	1	113.4520	0.000	1	113.4520	0.000	1	113.4520	0.000	1	110.8540	12.606	27	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6,6]	C[6]	C[5]	4:4:3:3:	4:3:3:	4:2:1:	C[5,6,6]-4:C[6]-4:C[5]-3:C[6]-3:	C[5,6,6]-4:C[6]-3:C-3:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(C[6]C[6]C)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]C)(CCO)	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6])(O)	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(C[6]C[6]C){1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]C)(CCO){1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[6]2)(O[5]C[5,6])(O){2|C<3>,3|C<4>,4|H<1>}	104.2790	0.000	1	104.2790	0.000	1	104.2790	0.000	1	104.2790	0.000	1	110.8540	12.606	27	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6,6]	C[6]	C[5]	4:4:3:3:	4:4:1:	4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6,6]-4:C[6]-4:O-1:	C[5,6,6]-4:C[5]-3:O-1:	C[5,6,6](C[6,6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)(C[6]C[6]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[3x6]HO)(O)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O)	C[5,6,6](C[6,6]C[4x6]C[6]H)(C[5,6]C[5,6]HO)(C[5]C[5]O)(C[6]C[6]O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[3x6]HO)(O){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	115.1530	0.000	1	115.1530	0.000	1	115.1530	0.000	1	115.8350	0.930	2	110.8540	12.606	27	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6,6]	C[6]	C[5]	4:4:3:3:	4:4:1:	4:3:1:	C[6,6]-4:C[5,6]-4:C[6]-3:C[5]-3:	C[5,6,6]-4:C[5,6]-4:O-1:	C[5,6,6]-4:C[5]-3:O-1:	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[5,6]O)(C[5]C[5]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6]C[5,6,6]O[5]H)(O)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O)	C[5,6,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[5,6]O)(C[5]C[5]O){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6]C[5,6,6]O[5]H)(O){1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]C)(O){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	116.5170	0.000	1	116.5170	0.000	1	116.5170	0.000	1	115.8350	0.930	2	110.8540	12.606	27	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6,6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5,6]-3:C[6,6]-3:C[5]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[5]N[5]O)	C[6,6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O)	C[5](C[5,6]C[5,6a]C[5,6]C[6,6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[5]N[5]O){1|H<1>,1|N<3>,2|O<1>,3|C<4>,4|C<3>}	C[6,6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]C[5,6]C[6,6])(N[5]C[5,6a]C)(O){6|C<3>}	113.9045	2.282	2	113.9045	5.207	2	113.9045	5.207	2	111.8375	2.593	25	111.1970	11.465	48	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6,6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5a,6]-3:C[6,6]-3:C[5]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O)	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6])(N[5]C[5,6a]H)(O){6|C<3>}	111.5040	0.899	2	111.4137	0.319	4	111.8308	0.663	6	111.8375	2.593	25	111.1970	11.465	48	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6,6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5a,6]-3:C[6,6]-3:C[5]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O)	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O){1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6])(N[5]C[5,6a]H)(O){6|C<3>}	111.3235	0.340	2	111.4137	0.319	4	111.8308	0.663	6	111.8375	2.593	25	111.1970	11.465	48	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6,6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5a,6]-3:C[6,6]-3:C[5]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6,6])(N[5]C[5,6a]H)(O){6|C<3>}	112.6650	0.520	2	112.6650	0.271	2	111.8308	0.663	6	111.8375	2.593	25	111.1970	11.465	48	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6,6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O)(C[6]C[6]C)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O)(C[6]C[6]C){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(C[5,6a]C[5,6a,6a]C[6a])(O){1|C<2>,1|H<1>,6|C<3>}	111.8920	0.000	1	111.8920	0.000	1	111.8920	0.000	1	111.8375	2.593	25	111.1970	11.465	48	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6,6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]N[6])(C[6]C[6]O)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|H<1>,1|O<1>,2|C<3>,2|N<3>,3|C<4>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<2>,1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|C<2>,5|C<3>}	112.4143	1.391	3	112.4143	1.936	3	111.0679	3.132	10	111.8375	2.593	25	111.1970	11.465	48	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6,6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|C<2>,5|C<3>}	111.6173	1.895	3	111.6173	3.589	3	111.0679	3.132	10	111.8375	2.593	25	111.1970	11.465	48	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6,6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]H)(O){1|C<2>,5|C<3>}	110.0320	0.890	2	109.5043	1.231	3	111.0679	3.132	10	111.8375	2.593	25	111.1970	11.465	48	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6,6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]H)(O){6|C<3>}	108.4490	0.000	1	109.5043	1.231	3	111.0679	3.132	10	111.8375	2.593	25	111.1970	11.465	48	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6,6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]N)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]N){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|O<1>,2|N<3>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|N<3>,5|C<3>}	110.0710	0.000	1	110.0710	0.000	1	111.0679	3.132	10	111.8375	2.593	25	111.1970	11.465	48	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6,6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6]-3:C[6]-3:C[5]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(C[5]N[5]O)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6a]O[6])(C[6]C[6]C)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6a]O[6])(C[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|O<1>,5|C<3>}	115.0080	0.000	1	115.0080	0.000	1	115.0080	0.000	1	111.8375	2.593	25	111.1970	11.465	48	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6,6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5a,6]-3:C[6,6]-3:C[5]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O)	C[6,6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O)	C[5](C[5,6]C[5,6a]N[5a,6]C[6,6])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(N[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<4>,5|C<3>}	C[6,6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|O<1>,5|C<3>,5|H<1>}	C[5](C[5,6]C[5,6a]N[5a,6]C[6,6])(C[5,6a]C[5,6a,6a]C[6a])(O){1|H<1>,7|C<3>}	111.7300	0.000	1	111.7300	0.000	1	111.7300	0.000	1	111.8375	2.593	25	111.1970	11.465	48	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6,6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5a,6]-3:C[6,6]-3:C[5]-3:C[5]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O)2	C[6,6](C[5,6]C[5a,6]C[5]2)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[5](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O)2{1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[5,6]C[5a,6]C[5]2)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,6|C<3>}	112.3055	0.477	2	112.3055	0.228	2	112.3055	0.228	2	111.8375	2.593	25	111.1970	11.465	48	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6,6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	N[5a,6]-3:C[5,6a]-3:C[6,6]-3:C[5]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)	C[6,6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O)	C[5](C[5,6]C[5,6a]N[5a,6]C[6,6])(N[5]C[5,6a]H)(O)	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5](C[5,6]C[5,6a]N[5a,6]C[6,6])(N[5]C[5,6a]H)(O){6|C<3>}	111.6115	0.483	2	111.6115	0.233	2	111.6115	0.233	2	111.8375	2.593	25	111.1970	11.465	48	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6,6]	C[5]	3:3:3:3:	4:3:4:	4:3:1:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:S[6]-4:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]S[6])(C[5]N[5]O)(C[6]C[6]C)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6a]O[6])(S[6]N[6]OO)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]S[6])(C[5]N[5]O)(C[6]C[6]C){1|O<2>,2|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6a]O[6])(S[6]N[6]OO){1|C<2>,1|C<4>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]H)(O){1|C<2>,1|S<4>,4|C<3>}	109.8840	0.000	1	109.8840	0.000	1	109.8840	0.000	1	108.0770	6.530	2	111.1970	11.465	48	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6,6]	C[5]	3:3:3:3:	4:3:4:	4:3:1:	C[5,6a]-3:C[6,6]-3:C[5]-3:N[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(N[6]C[6]C)	C[6,6](C[5,6]C[5,6a]C[5]N[6])(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)	C[5](C[5,6]C[5,6a]C[6,6]N[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(N[6]C[6]C){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[5,6]C[5,6a]C[5]N[6])(C[6,6]C[6,6a]C[6])(C[6]C[6]HH){1|C<2>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[6,6]N[6])(N[5]C[5,6a]C)(O){1|C<4>,5|C<3>}	106.2700	0.000	1	106.2700	0.000	1	106.2700	0.000	1	108.0770	6.530	2	111.1970	11.465	48	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6,6]	C[5]	3:3:3:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-4:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]C[5,6]C[6a])(C[6]C[6]CH)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]C[5,6]C[6a])(C[6]C[6]CH){4|H<1>,8|C<3>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(C[5,6]C[5,6,6a]C[6])(C[6a]C[6a]2){2|C<4>,3|H<1>,8|C<3>}	110.6240	0.000	1	110.6240	0.000	1	110.6240	0.000	1	110.6240	0.000	1	111.1970	11.465	48	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6,6]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]CC)(C[5]N[5]O)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]CC)(C[5]N[5]O){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O){1|N<3>,1|O<1>,2|C<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]H)(O){1|C<4>,2|C<2>,4|C<3>}	109.5440	0.000	1	109.5440	0.000	1	109.5440	0.000	1	109.5440	0.000	1	111.1970	11.465	48	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6,6]	C[5]	3:3:4:3:	4:3:4:	4:3:1:	C[5,6a]-3:C[6,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]CC)(C[5]N[5]O)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]CC)(C[5]N[5]O){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6a]C[6])(C[6]C[6]HH){1|N<3>,1|O<1>,2|H<1>,3|C<2>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|C<4>,2|C<2>,4|C<3>}	110.8140	0.000	2	110.8140	0.000	2	110.8140	0.000	2	110.8140	0.000	2	111.1970	11.465	48	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6,6]	C[5]	3:4:3:1:	4:3:3:	4:3:1:	C[6,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]O[6]O)	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|H<1>,2|C<4>,2|O<1>,2|O<2>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]O[6]O){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	109.9833	1.171	3	109.9833	1.370	3	109.9833	1.370	3	109.9833	1.370	3	111.1970	11.465	48	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6,6]	C[5]	3:4:3:1:	4:3:4:	4:2:1:	C[6,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(O)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(O){1|C<3>,2|C<4>,3|H<1>}	115.4350	0.000	1	115.4350	0.000	1	115.4350	0.000	1	115.4350	0.000	1	111.1970	11.465	48	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6,6]	C[5]	3:4:3:1:	4:3:4:	4:3:1:	C[6,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	108.3400	0.000	1	108.3400	0.000	1	108.3400	0.000	1	108.3400	0.000	1	111.1970	11.465	48	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6,6]	C[5]	3:4:3:1:	4:4:3:	4:3:1:	C[6,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[6,6]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6]){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	108.6390	0.000	1	108.6390	0.000	1	108.6390	0.000	1	108.6390	0.000	1	111.1970	11.465	48	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6,6]	C[5]	3:4:3:4:	3:4:4:	4:4:1:	C[6,6]-3:C[5,6]-4:C[5]-3:C-4:	C[4,6,6]-3:C[5,6]-4:C[6]-4:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[6,6]C[4,6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]O)(CH3)	C[6,6](C[4,6,6]C[4,6,6]C[4,6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(O)	C[5,6](C[6,6]C[4,6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]O)(CH3){1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[4,6,6]C[4,6,6]C[4,6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HO){1|O<1>,1|O<2>,2|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(O){1|C<3>,1|H<1>,4|C<4>}	121.1590	0.000	1	121.1590	0.000	1	121.1590	0.000	1	121.1590	0.000	1	111.1970	11.465	48	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6,6]	C[5]	3:4:3:4:	4:3:3:	4:3:1:	C[6,6]-3:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]O[6]C)(C[5]C[5]H)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]N[6])(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[6a]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]O[6]C)(C[5]C[5]H)(CH3){1|N<2>,3|C<3>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]N[6])(C[6]C[6]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[6a]C[5])(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	112.7150	0.000	1	112.7150	0.000	1	112.7150	0.000	1	112.7150	0.000	1	111.1970	11.465	48	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6,6]	C[5]	3:4:3:4:	4:3:4:	4:2:1:	C[6,6]-3:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[5]O[5]O)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2)(C[6]C[6]HO)	C[5](C[5,6]C[5,6]C[6,6]C)(O[5]C[5,6])(O)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[5]O[5]O)(CH3){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2)(C[6]C[6]HO){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]C[6,6]C)(O[5]C[5,6])(O){1|C<3>,2|C<4>,3|H<1>}	107.2850	0.000	1	107.2850	0.000	1	107.2850	0.000	1	107.2850	0.000	1	111.1970	11.465	48	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6,6]	C[5]	3:4:3:4:	4:3:4:	4:4:1:	C[6,6]-3:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]O)(CH3)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(O)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]O)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO){2|H<1>,2|O<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(O){1|C<3>,1|H<1>,4|C<4>}	122.5130	0.000	1	122.5130	0.000	1	122.5130	0.000	1	122.5130	0.000	1	111.1970	11.465	48	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6,6]	C[5]	3:4:4:3:	4:3:4:	4:2:1:	C[6,6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[6,6]C[6,6]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O)	C[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[5](C[5,6]C[6,6]C[5]C[6])(O[5]C[5])(O)	C[5,6](C[6,6]C[6,6]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O){1|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|O<1>,2|O<2>,5|C<4>,6|H<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(O[5]C[5])(O){2|C<3>,3|C<4>,4|H<1>}	107.2203	0.544	3	107.0252	0.349	4	107.0252	0.349	4	107.0252	0.349	4	111.1970	11.465	48	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6,6]	C[5]	3:4:4:3:	4:3:4:	4:2:1:	C[6,6]-3:C[5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[6,6]C[6,6]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O)	C[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[5](C[5,6]C[6,6]C[5]C[6])(O[5]C[5])(O)	C[5,6](C[6,6]C[6,6]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<2>,2|C<3>,2|O<1>,4|C<4>,5|H<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(O[5]C[5])(O){2|C<3>,3|C<4>,4|H<1>}	106.4400	0.000	1	107.0252	0.349	4	107.0252	0.349	4	107.0252	0.349	4	111.1970	11.465	48	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6,6]	C[5]	4:3:3:1:	4:3:3:	4:4:1:	C[5,6]-4:C[6,6]-3:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[5]C[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6])(C[6]O[6]O)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[5]C[5]O)(H){1|O<1>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6])(C[6]O[6]O){1|O<1>,2|H<1>,7|C<4>}	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(O){2|C<3>,2|C<4>,2|H<1>}	115.3890	0.000	1	115.3890	0.000	1	115.3890	0.000	1	115.3890	0.000	1	111.1970	11.465	48	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6,6]	C[5]	4:3:3:1:	4:3:4:	4:4:1:	C[5,6,6]-4:C[6,6]-3:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[5]C[5]O)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5,6,6]HH)(O)	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[5]C[5]O)(H){5|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6,6]C[6,6]H)(C[5]C[5,6,6]HH)(O){1|C<3>,1|H<1>,4|C<4>}	103.2010	0.000	1	103.2010	0.000	1	103.2010	0.000	1	103.2010	0.000	1	111.1970	11.465	48	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6,6]	C[5]	4:3:3:3:	4:3:2:	4:3:1:	C[5,6]-4:C[6,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[6,6a]2C[5])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6])	C[5](C[5,6]C[5,6]C[6,6]C[6])(N[5]C[5]C)(O)	C[5,6](C[5,6]C[6,6a]2C[5])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,7|C<3>}	C[6,6](C[5,6]C[5,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6,6]C[6])(N[5]C[5]C)(O){1|C<2>,1|H<1>,1|O<1>,4|C<3>}	110.8440	0.000	1	110.8440	0.000	1	110.8440	0.000	1	110.8440	0.000	1	111.1970	11.465	48	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5,5]	3:3:4:4:	4:3:4:	3:4:4:	C[5,5]-3:C[6]-3:C[5]-4:C[6]-4:	C[5,6]-4:C[5,6]-3:C-4:	C[5,5]-3:C[5,6]-4:C[5]-4:	C[5,6](C[5,5]C[5,5]C[5])(C[6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]2)(CCHH)	C[5,5](C[5,5]C[5,6]C[5])(C[5,6]C[5]C[6]2)(C[5]C[5]HH)	C[5,6](C[5,5]C[5,5]C[5])(C[6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[5,6]2)(CCHH){3|C<3>,4|H<1>,5|C<4>}	C[5,5](C[5,5]C[5,6]C[5])(C[5,6]C[5]C[6]2)(C[5]C[5]HH){2|C<3>,4|C<4>,7|H<1>}	113.1150	0.000	1	113.1150	0.000	1	113.1150	0.000	1	113.1150	0.000	1	110.2490	5.154	4	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5,5]	4:3:3:4:	4:4:1:	4:3:4:	C[5,6]-4:C[5,5]-3:C[6]-3:C[5]-4:	C[5,6]-4:C[6,6]-4:O-1:	C[5,6]-4:C[5,5]-3:C[5]-4:	C[5,6](C[5,6]C[5,6,6]C[5]C)(C[5,5]C[5,5]C[5])(C[6]C[6,6]O)(C[5]C[5]HH)	C[6](C[5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6,6]C[6]H)(O)	C[5,5](C[5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6]C[5])(C[5]C[5]CH)	C[5,6](C[5,6]C[5,6,6]C[5]C)(C[5,5]C[5,5]C[5])(C[6]C[6,6]O)(C[5]C[5]HH){1|N<3>,6|H<1>,7|C<4>}	C[6](C[5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6,6]C[6]H)(O){1|C<3>,5|H<1>,7|C<4>}	C[5,5](C[5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6]C[5])(C[5]C[5]CH){1|C<3>,1|O<1>,5|C<4>,6|H<1>}	110.9890	0.000	1	110.9890	0.000	1	110.9890	0.000	1	110.9890	0.000	1	110.2490	5.154	4	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5,5]	4:3:3:4:	4:4:1:	4:4:3:	C[5,6]-4:C[5,5]-3:C[6]-3:C[5]-4:	C[5,6]-4:C[6,6]-4:O-1:	C[5,6]-4:C[5,5]-4:C[5]-3:	C[5,6](C[5,6]C[5,6,6]C[5]C)(C[5,5]C[5,5]C[5])(C[6]C[6,6]O)(C[5]C[5]HH)	C[6](C[5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6,6]C[6]H)(O)	C[5,5](C[5,6]C[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]C)	C[5,6](C[5,6]C[5,6,6]C[5]C)(C[5,5]C[5,5]C[5])(C[6]C[6,6]O)(C[5]C[5]HH){1|C<3>,1|N<3>,5|H<1>,7|C<4>}	C[6](C[5,6]C[5,5]C[5,6]C[5])(C[6,6]C[6,6]C[6]H)(O){1|C<3>,5|H<1>,7|C<4>}	C[5,5](C[5,6]C[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]C){1|C<3>,1|O<1>,4|C<4>,7|H<1>}	108.7610	0.000	1	108.7610	0.000	1	108.7610	0.000	1	108.4460	0.198	2	110.2490	5.154	4	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5,5]	4:3:3:4:	4:4:1:	4:4:3:	C[6,6]-4:C[5,5]-3:C[6]-3:C[5]-4:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[5,5]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,5]C[5,5]C[5])(C[6]C[5,6]O)(C[5]C[5]HH)	C[6](C[5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5,6,6]C[5]H)(O)	C[5,5](C[5,6]C[6,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]C)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,5]C[5,5]C[5])(C[6]C[5,6]O)(C[5]C[5]HH){1|C<3>,1|O<2>,5|H<1>,7|C<4>}	C[6](C[5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5,6,6]C[5]H)(O){1|C<3>,1|N<3>,4|H<1>,7|C<4>}	C[5,5](C[5,6]C[6,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]C){1|C<3>,1|O<1>,4|C<4>,7|H<1>}	108.1310	0.000	1	108.1310	0.000	1	108.1310	0.000	1	108.4460	0.198	2	110.2490	5.154	4	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:3:	4:3:2:	4:3:2:	C[5a,6]-3:C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6]-4:C[5,6]-3:C[6]-2:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	C[6](C[5,6]C[5a,6]C[5,6]C[5])(C[6]O[6]N)(CN)	C[5,6](C[5,6]C[5a,6]C[5]C[6])(C[5,6]C[6]N[5])(C[6]C[6])	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|N<3>}	C[6](C[5,6]C[5a,6]C[5,6]C[5])(C[6]O[6]N)(CN){1|C<2>,1|N<3>,1|O<1>,3|C<3>}	C[5,6](C[5,6]C[5a,6]C[5]C[6])(C[5,6]C[6]N[5])(C[6]C[6]){1|C<2>,1|I<1>,1|O<1>,2|H<1>,4|C<3>}	116.2420	0.000	1	116.2420	0.000	1	116.2420	0.000	1	116.2420	0.000	1	113.3043	6.474	3	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:3:	4:4:1:	4:3:3:	C[5,6]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[6,6a]-3:C[5,6]-3:	C[5,6](C[5,6]C[6,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(C[6]C[6]O)	C[6](C[5,6]C[6,6a]C[5,6]C[5])(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[6,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(C[6]C[6]O){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[6,6a]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<2>,2|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]){1|C<2>,1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|H<1>,4|C<3>}	111.7980	0.000	1	111.7980	0.000	1	111.7980	0.000	1	111.7980	0.000	1	113.3043	6.474	3	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	4:3:3:4:	4:4:1:	4:3:3:	C[5,6]-4:C[5,6]-3:C[6]-3:C[5]-4:	C[5,6]-4:C[6,6]-4:O-1:	C[5,6]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,6,6]C[5]C)(C[5,6]C[5,6]C[6])(C[6]C[6,6]O)(C[5]C[5]HH)	C[6](C[5,6]C[5,6]2C[5])(C[6,6]C[6,6]C[6]H)(O)	C[5,6](C[5,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6])(C[6]C[5,6]C)	C[5,6](C[5,6]C[5,6,6]C[5]C)(C[5,6]C[5,6]C[6])(C[6]C[6,6]O)(C[5]C[5]HH){1|N<3>,4|H<1>,7|C<4>}	C[6](C[5,6]C[5,6]2C[5])(C[6,6]C[6,6]C[6]H)(O){3|C<3>,5|C<4>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]C[6])(C[5,6]C[5]C[6])(C[6]C[5,6]C){1|C<3>,1|O<1>,5|H<1>,6|C<4>}	111.8730	0.000	1	111.8730	0.000	1	111.8730	0.000	1	111.8730	0.000	1	113.3043	6.474	3	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	2:3:3:1:	4:3:1:	3:4:1:	O[5,6]-2:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-3:C[5,6]-4:H-1:	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]Br)(O)	C[5](C[5,6]C[5,6,6]C[6])(C[5,6]O[5,6]C[6]H)(H)	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]H)(C[6]C[6]O)(H){1|Br<1>,1|C<3>,2|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]Br)(O){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[5,6,6]C[6])(C[5,6]O[5,6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	107.7690	0.000	1	107.7690	0.000	1	107.7690	0.000	1	107.7690	0.000	1	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	2:3:3:1:	4:3:1:	4:3:1:	O[5,6]-2:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](O[5,6]C[5,6])(C[5]C[5]H)(C[6]C[6]O)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]Br)(O)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]H)(C[6]C[6]O)(H){1|Br<1>,1|C<3>,2|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]Br)(O){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C)(H){1|C<4>,1|O<1>,2|C<3>}	107.6330	0.000	1	107.6330	0.000	1	107.4225	0.089	2	107.4225	0.089	2	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	2:3:3:1:	4:3:1:	4:3:1:	O[5,6]-2:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](O[5,6]C[5,6])(C[5]C[5]H)(C[6]C[6]O)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(O)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6a])(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]C[6a])(H){1|C<4>,1|O<1>,4|C<3>}	107.2120	0.000	1	107.2120	0.000	1	107.4225	0.089	2	107.4225	0.089	2	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	2:3:3:1:	4:3:1:	4:3:3:	O[5,6]-2:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](O[5,6]C[5,6])(C[5]C[5]C)(C[6]C[6]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(H)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(CC[6a]O)	C[5,6](O[5,6]C[5,6])(C[5]C[5]C)(C[6]C[6]H)(H){1|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(CC[6a]O){1|C<3>,1|C<4>,2|H<1>}	108.7610	0.000	1	108.7610	0.000	1	108.7610	0.000	1	108.7610	0.000	1	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	2:3:3:2:	4:3:1:	4:4:3:	O[5,6]-2:C[5]-3:C[6]-3:O-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](O[5,6]C[5,5,6])(C[5]C[5]C)(C[6]C[6]H)(OH)	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[5,6]C)(H)	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,5,6]HH)(CCC)	C[5,6](O[5,6]C[5,5,6])(C[5]C[5]C)(C[6]C[6]H)(OH){2|H<1>,3|C<4>}	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[5,6]C)(H){1|C<3>,1|H<1>,3|C<4>}	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,5,6]HH)(CCC){1|C<3>,1|H<1>,2|C<4>}	110.1570	0.150	2	110.1570	0.022	2	110.1570	0.022	2	110.1570	0.022	2	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	2:3:3:4:	4:3:1:	4:3:4:	O[5,6]-2:C[6]-3:C[5]-3:C-4:	C[5,6]-4:C[6]-3:Br-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]Br)(C[5]C[5]C)(CH3)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]Br)(Br)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CHHO)	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[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]Br)(Br){1|C<3>,1|O<1>,2|C<4>}	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CHHO){1|Br<1>,1|H<1>,2|C<3>}	107.4210	0.000	1	107.4210	0.000	1	107.4210	0.000	1	107.4210	0.000	1	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:2:3:3:	4:3:1:	3:4:1:	C[5]-3:O[5]-2:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O){1|H<1>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(H){1|O<2>,2|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O){1|O<2>,2|H<1>,4|C<3>}	108.8410	0.000	1	108.8410	0.000	1	108.8410	0.000	1	108.8410	0.000	1	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:2:3:3:	4:3:1:	3:4:3:	C[5]-3:O[5]-2:C[6]-3:C[6]-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6](C[5]C[5,6a]C[6])(O[5]C[5,6a])(C[6]N[6]O)2	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(C[6]C[6]2)	C[5,6](C[5]C[5,6a]C[6])(O[5]C[5,6a])(C[6]N[6]O)2{2|C<4>,5|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]C)(O){1|N<3>,2|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(C[6]C[6]2){2|N<3>,2|O<1>,3|H<1>,4|C<3>}	112.1780	1.714	2	112.1780	2.938	2	112.1780	2.938	2	112.1780	2.938	2	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:2:3:3:	4:3:2:	3:4:1:	C[5]-3:O[5]-2:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:O-2:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]C)(C[6]C[6]O)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]C)(C[6]C[6]O){2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OC){2|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O){2|O<2>,5|C<3>}	108.2965	0.459	2	108.2965	0.211	2	108.5670	0.325	3	108.5670	0.325	3	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:2:3:3:	4:3:2:	3:4:1:	C[5]-3:O[5]-2:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:O-2:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O){1|H<1>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OC){1|H<1>,2|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O){1|O<2>,2|H<1>,4|C<3>}	109.1080	0.000	1	109.1080	0.000	1	108.5670	0.325	3	108.5670	0.325	3	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:2:3:3:	4:3:3:	3:4:1:	C[5]-3:O[5]-2:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]C)(C[6]C[6]O)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]C)(C[6]C[6]O){2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(COO){1|O<2>,2|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O){2|O<2>,5|C<3>}	110.9840	0.191	2	110.9840	0.036	2	110.9840	0.036	2	110.9840	0.036	2	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:2:3:4:	4:3:1:	4:3:3:	C[5]-3:O[5,6]-2:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6](C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]H)(CCHN)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]H)(H)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(C[6a]C[6a]2)	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[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	105.8590	0.000	1	104.7775	2.339	2	104.7775	2.339	2	104.7775	2.339	2	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:2:3:4:	4:3:1:	4:3:3:	C[5]-3:O[5,6]-2:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6](C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]H)(CCHN)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]H)(H)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(C[6a]C[6a]2)	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[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	103.6960	0.000	1	104.7775	2.339	2	104.7775	2.339	2	104.7775	2.339	2	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:2:4:3:	4:3:2:	3:4:1:	C[5]-3:O[5]-2:C[6]-4:C[6]-3:	C[5,6]-4:C[6]-3:O-2:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O)	C[5,6](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]CH)(C[6]C[6]O){3|C<3>,3|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OC){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])(O){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	109.2442	1.121	19	109.2442	1.256	19	109.2442	1.256	19	109.2442	1.256	19	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:1:	4:3:4:	3:4:1:	C[5,6]-3:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:Si-4:	C[5,6]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6,6]O)(C[5]C[5,6]H)(C[6]C[6]Si)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(SiC3)	C[5](C[5,6]C[5,6,6]C[6,6])(C[5,6]C[5,6]C[6]H)(H)	C[5,6](C[5,6]C[5,6,6]O)(C[5]C[5,6]H)(C[6]C[6]Si)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(SiC3){1|C<3>,1|C<4>,1|H<1>,2|O<1>}	C[5](C[5,6]C[5,6,6]C[6,6])(C[5,6]C[5,6]C[6]H)(H){1|Si<4>,1|O<1>,2|C<3>,4|C<4>}	112.3140	0.000	1	112.3140	0.000	1	112.3140	0.000	1	112.3140	0.000	1	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:1:	4:4:1:	4:3:4:	C[5,6]-3:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5,6,6]O)(C[5]C[5]C)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]H)(CH3)	C[5,6](C[5,6]C[5,6,6]O)(C[5]C[5]C)(C[6]C[6]O)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(O){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]H)(CH3){2|O<1>,3|C<4>}	108.1320	0.000	1	108.1320	0.000	1	108.1320	0.000	1	108.1320	0.000	1	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:2:	4:3:1:	4:3:1:	C[5]-3:C[6]-3:C[6]-3:N[5]-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5]N[5]O)(C[6]C[6]C)(C[6]C[6]H)(N[5]C[5])	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[5](C[5,6]C[6]2N[5])(N[5]C[6a]C[5])(O)	C[5,6](C[5]N[5]O)(C[6]C[6]C)(C[6]C[6]H)(N[5]C[5]){2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	C[5](C[5,6]C[6]2N[5])(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,5|C<3>}	109.1710	0.000	1	109.1710	0.000	1	108.7440	3.149	3	112.1247	6.537	10	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:2:	4:3:1:	4:3:1:	C[5]-3:C[6]-3:C[6]-3:N[5]-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5]N[5]O)(C[6]C[6]H)2(N[5]C[5])	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[5](C[5,6]C[6]2N[5])(N[5]C[6a]C[5])(O)	C[5,6](C[5]N[5]O)(C[6]C[6]H)2(N[5]C[5]){2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5](C[5,6]C[6]2N[5])(N[5]C[6a]C[5])(O){2|H<1>,5|C<3>}	108.5305	2.454	2	108.5305	6.024	2	108.7440	3.149	3	112.1247	6.537	10	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:2:	4:3:1:	4:3:1:	N[6]-3:C[6]-3:C[5]-3:O[5]-2:	C[5,6]-4:N[5,6]-3:O-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5])	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O)	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[5]H)(H)	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[5]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	113.1673	0.858	3	113.5736	0.592	7	113.5736	0.592	7	112.1247	6.537	10	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:2:	4:3:1:	4:3:1:	N[6]-3:C[6]-3:C[5]-3:O[5]-2:	C[5,6]-4:N[5,6]-3:O-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5])	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O)	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[5]H)(H)	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[5]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	113.7370	0.000	1	113.5736	0.592	7	113.5736	0.592	7	112.1247	6.537	10	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:2:	4:3:1:	4:3:1:	N[6]-3:C[6]-3:C[5]-3:O[5]-2:	C[5,6]-4:N[5,6]-3:O-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5])	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O)	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[5]H)(H)	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[5]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	113.1400	0.000	1	113.5736	0.592	7	113.5736	0.592	7	112.1247	6.537	10	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:2:	4:3:1:	4:3:1:	N[6]-3:C[6]-3:C[5]-3:O[5]-2:	C[5,6]-4:N[5,6]-3:O-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5])	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O)	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[5]H)(H)	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O){1|S<2>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[5]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	114.6810	0.000	1	113.5736	0.592	7	113.5736	0.592	7	112.1247	6.537	10	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:2:	4:3:1:	4:3:1:	N[6]-3:C[6]-3:C[5]-3:O[5]-2:	C[5,6]-4:N[5,6]-3:O-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5])	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O)	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[5]H)(H)	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O){1|S<2>,3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[5]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	113.9550	0.000	1	113.5736	0.592	7	113.5736	0.592	7	112.1247	6.537	10	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:2:	4:3:1:	4:3:3:	C[5]-3:C[6]-3:C[6]-3:N[5]-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5])	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]I)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]){1|C<4>,1|I<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]I){1|C<4>,4|C<3>,4|H<1>}	112.5615	0.056	2	112.5615	0.003	2	112.5615	0.003	2	112.0670	2.958	8	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:2:	4:3:1:	4:3:3:	C[5]-3:C[6]-3:C[6]-3:O[5]-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(O[5]C[5])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(O[5]C[5]){1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6]C[6]2O[5])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,4|H<1>,6|C<3>}	111.9022	2.002	6	111.9022	4.010	6	111.9022	4.010	6	112.0670	2.958	8	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:2:	4:3:1:	4:4:1:	N[5,6]-3:C[5]-3:C[6]-3:S-2:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]N[6]O)(SC)	C[6](C[5,6]N[5,6]C[5]S)(N[6]C[6]C)(O)	C[5](C[5,6]N[5,6]C[6]S)(C[5]C[5]HH)(O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]N[6]O)(SC){1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]S)(N[6]C[6]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]N[5,6]C[6]S)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	118.9300	0.000	1	118.9300	0.000	1	118.9300	0.000	1	118.9300	0.000	1	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:2:	4:3:4:	4:3:1:	C[5]-3:C[6]-3:C[6]-3:N[5]-2:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5]N[5]O)(C[6]C[6]C)(C[6]C[6]H)(N[5]C[5])	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(CH3)	C[5](C[5,6]C[6]2N[5])(N[5]C[6a]C[5])(O)	C[5,6](C[5]N[5]O)(C[6]C[6]C)(C[6]C[6]H)(N[5]C[5]){2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5](C[5,6]C[6]2N[5])(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,5|C<3>}	107.4640	0.000	1	107.4640	0.000	1	107.4640	0.000	1	107.4640	0.000	1	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	3:4:1:	4:3:1:	C[5a,6]-3:C[5]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5]C[5,6a]O)2(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]2)(O)	C[5](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5]C[5,6a]O)2(C[6]C[6,6a]O){1|N<2>,1|N<3>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]2)(O){1|H<1>,2|O<1>,6|C<3>}	C[5](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,2|O<1>,5|C<3>}	105.4525	0.245	2	105.4525	0.060	2	105.4525	0.060	2	105.4525	0.060	2	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	3:4:1:	4:3:3:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6](C[5]C[6a]C[5])2(C[6]C[6,6a]O)(C[6]O[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6](C[5]C[6a]C[5])2(C[6]C[6,6a]O)(C[6]O[6]O){8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,2|H<1>,2|O<1>,7|C<3>}	109.7520	3.886	2	109.7520	15.103	2	109.7520	15.103	2	109.7520	15.103	2	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:2:1:	4:3:3:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6](C[5]C[6a]C[5])2(C[6]C[6,6a]O)(C[6]O[6]O)	C[6](C[5,6]C[5]2C[6])(O[6]C[6,6a])(O)	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6](C[5]C[6a]C[5])2(C[6]C[6,6a]O)(C[6]O[6]O){8|C<3>}	C[6](C[5,6]C[5]2C[6])(O[6]C[6,6a])(O){1|O<1>,6|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<2>,2|H<1>,2|O<1>,7|C<3>}	109.4735	3.628	2	109.4735	13.164	2	109.4735	13.164	2	109.8020	6.906	3	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:2:1:	4:3:3:	N[5,6]-3:C[6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](N[5,6]C[6]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(C[6]O[6]O)	C[6](C[5,6]N[5,6]C[6a]C[5])(O[6]C[6])(O)	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5]O[5]C)(COO)	C[5,6](N[5,6]C[6]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(C[6]O[6]O){2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[6a]C[5])(O[6]C[6])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5]O[5]C)(COO){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	110.4590	0.000	1	110.4590	0.000	1	110.4590	0.000	1	109.8020	6.906	3	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,5a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]N[5,5a,6a]C[6a])(C[5]C[5,5a]C[6a])(C[6]C[6]H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H)	C[5](C[5,5a]N[5,5a,6a]C[5a,6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]2)	C[5,6](C[5,6a]N[5,5a,6a]C[6a])(C[5]C[5,5a]C[6a])(C[6]C[6]H)2{3|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,5a]N[5,5a,6a]C[5a,6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]2){4|H<1>,8|C<3>}	111.2885	2.070	2	111.2885	4.284	2	111.2885	4.284	2	110.4493	3.437	8	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	3:4:3:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,5]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5]C[5,5]C[6a])(C[5]C[5,5]H)(C[6]C[6]H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5](C[5,5]C[5,5]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)	C[5,6](C[5]C[5,5]C[6a])(C[5]C[5,5]H)(C[6]C[6]H)2{1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2){1|N<3>,5|C<3>,6|H<1>}	111.5340	3.007	2	111.5340	9.040	2	111.5340	9.040	2	110.4493	3.437	8	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	3:4:3:	N[5,6]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-3:C[5,6]-4:C[6a]-3:	C[5,6](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]C[6a])(C[6]C[6]H)2	C[6](C[5,6]N[5,6]C[5]C[6])(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6,6]C[6,6a])(C[5,6]N[5,6]C[6]2)(C[6a]C[6a]2)	C[5,6](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]C[6a])(C[6]C[6]H)2{1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6,6]C[6,6a])(C[5,6]N[5,6]C[6]2)(C[6a]C[6a]2){1|C<4>,5|H<1>,7|C<3>}	109.4873	1.044	4	109.4873	1.090	4	109.4873	1.090	4	110.4493	3.437	8	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5,6]-3:C[6]-3:C[5]-3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(O)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(C[5]N[5]O){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){1|O<1>,5|C<3>}	104.4810	0.000	1	104.4810	0.000	1	104.4810	0.000	1	106.7703	9.179	18	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]H)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]H)(H){1|H<1>,1|N<3>,1|O<1>,1|S<4>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|H<1>,4|C<3>}	110.2005	0.327	2	110.2005	0.107	2	110.2005	0.107	2	106.7703	9.179	18	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[6,6]-3:C[6]-3:C[5]-3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6,6a]C[6,6a]C[6a])(O)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|O<1>,5|C<3>}	101.7070	0.000	1	101.7070	0.000	1	101.7070	0.000	1	106.7703	9.179	18	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	107.2820	0.000	1	108.1340	1.452	2	108.1340	1.452	2	106.7703	9.179	18	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|N<3>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	108.9860	0.000	1	108.1340	1.452	2	108.1340	1.452	2	106.7703	9.179	18	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)(C[5]N[5]O)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|O<1>,5|C<3>}	105.3780	0.842	3	105.3780	0.709	3	105.3780	0.709	3	106.7703	9.179	18	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	4:3:1:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5]C[5]H)(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H)	C[5,6](C[5]C[5]H)(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	107.1637	0.565	3	107.1637	0.320	3	107.1637	0.320	3	106.7703	9.179	18	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	4:3:1:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5]C[5]H)(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(O)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H)	C[5,6](C[5]C[5]H)(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(O){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	103.7057	0.780	3	103.7057	0.609	3	103.7057	0.609	3	106.7703	9.179	18	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	4:3:1:	C[5]-3:C[6]-3:N[5]-3:N[6]-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5]N[5]O)(C[6]N[6]O)(N[5]C[5]C)(N[6]N[6]H)	C[6](C[5,6]C[5]N[5]N[6])(N[6]C[6]C)(O)	C[5](C[5,6]C[6]N[5]N[6])(N[5]C[5]C)(O)	C[5,6](C[5]N[5]O)(C[6]N[6]O)(N[5]C[5]C)(N[6]N[6]H){1|C<3>,1|O<1>,3|C<4>}	C[6](C[5,6]C[5]N[5]N[6])(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,2|N<3>,2|O<1>}	C[5](C[5,6]C[6]N[5]N[6])(N[5]C[5]C)(O){1|C<4>,1|H<1>,2|N<3>,2|O<1>}	108.8630	0.000	1	108.8630	0.000	1	108.8630	0.000	1	106.7703	9.179	18	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	4:3:1:	C[6a]-3:N[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:O-1:	C[5,6](C[6a]C[6a]N[6a])(N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[5]H)(O)	C[5,6](C[6a]C[6a]N[6a])(N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]H){4|C<3>,4|H<1>}	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[5]H)(O){1|H<1>,1|N<2>,4|C<3>}	114.1170	0.000	1	114.1170	0.000	1	114.1170	0.000	1	106.7703	9.179	18	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	4:3:1:	N[6]-3:C[5]-3:C[6]-3:N[5]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](N[6]C[6,6a]C)(C[5]N[5]O)(C[6]C[6]H)(N[5]C[5]C)	C[6](C[5,6]C[5]N[5]N[6])(C[6]C[6,6a]O)(H)	C[5](C[5,6]C[6]N[5]N[6])(N[5]C[5]C)(O)	C[5,6](N[6]C[6,6a]C)(C[5]N[5]O)(C[6]C[6]H)(N[5]C[5]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5]N[5]N[6])(C[6]C[6,6a]O)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[6]N[5]N[6])(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	107.2870	0.000	1	107.2870	0.000	1	107.2870	0.000	1	106.7703	9.179	18	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	4:3:2:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5,6](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5])	C[5,6](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5]){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	115.2720	0.000	1	115.2720	0.000	1	115.2720	0.000	1	110.2920	49.601	2	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	4:3:2:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5,6](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(O)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5])	C[5,6](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(O){1|N<2>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5]){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	105.3120	0.000	1	105.3120	0.000	1	105.3120	0.000	1	110.2920	49.601	2	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]N[6]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]N[6]O){1|H<1>,2|C<4>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,2|O<1>,5|C<3>}	112.8420	0.000	1	112.8420	0.000	1	112.2820	0.627	2	110.1564	5.245	57	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]N[6]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]N[6]O){1|C<4>,1|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,2|O<1>,7|C<3>}	111.7220	0.000	1	111.7220	0.000	1	112.2820	0.627	2	110.1564	5.245	57	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]H)2{1|C<4>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C)(C[6a]C[6a]2){4|H<1>,6|C<3>}	110.8215	0.824	2	110.8215	0.679	2	110.8215	0.679	2	110.1564	5.245	57	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:N-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(C[6]C[6]H)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]H)(NC[6a]S)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N)(C[6]C[6]H)2{3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]H)(NC[6a]S){2|H<1>,4|C<3>}	110.0854	0.854	8	110.0854	0.729	8	110.0854	0.729	8	110.1564	5.245	57	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]N[6]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(N[6]C[6,6a]C)(O)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]N[6]O){1|H<1>,2|C<4>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(N[6]C[6,6a]C)(O){1|O<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,2|O<1>,5|C<3>}	110.3290	0.000	1	110.3290	0.000	1	110.2065	0.030	2	110.1564	5.245	57	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]N[6]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(N[6]C[6,6a]C)(O)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]N[6]O){1|C<4>,1|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(N[6]C[6,6a]C)(O){1|O<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,2|O<1>,7|C<3>}	110.0840	0.000	1	110.0840	0.000	1	110.2065	0.030	2	110.1564	5.245	57	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:N[6]-3:C[6]-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(N[6]C[6,6a]H)(C[6]N[6]O)	C[6](C[5,6]C[5,6a]C[5]N[6])(N[6]C[6,6a]C)(O)	C[5](C[5,6]C[5,6a]C[6]N[6])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(N[6]C[6,6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]C[5]N[6])(N[6]C[6,6a]C)(O){1|H<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[6]N[6])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	111.3570	0.000	1	111.3570	0.000	1	111.3570	0.000	1	110.1564	5.245	57	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5])(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[5a])(C[5a]C[5a]S[5a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5a]C[5])(C[6]C[6]H){1|S<2>,3|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(H){1|O<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[5a])(C[5a]C[5a]S[5a]){1|S<2>,2|H<1>,8|C<3>}	111.7000	0.000	1	111.7000	0.000	1	111.7000	0.000	1	110.1564	5.245	57	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]O)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]Br)(O)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]O){1|Br<1>,1|C<4>,2|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]Br)(O){1|H<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|O<1>,2|H<1>,7|C<3>}	109.6615	1.315	2	109.6615	1.728	2	110.6334	1.388	5	110.1564	5.245	57	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]O)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(O)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]O){1|C<4>,3|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(O){1|H<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|O<1>,2|H<1>,7|C<3>}	111.9380	0.000	1	111.9380	0.000	1	110.6334	1.388	5	110.1564	5.245	57	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]O)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(O)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]O){3|H<1>,8|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(O){1|H<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])(C[6a]C[6a]2){1|O<1>,2|H<1>,9|C<3>}	110.9530	0.164	2	110.9530	0.027	2	110.6334	1.388	5	110.1564	5.245	57	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	4:3:3:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6](C[5]C[6a]C[5])(C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6](C[5]C[6a]C[5])(C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O){3|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	110.9230	0.000	1	111.3585	0.379	2	108.6387	9.253	6	110.1564	5.245	57	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	4:3:3:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6](C[5]C[6a]C[5])(C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6](C[5]C[6a]C[5])(C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O){3|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	111.7940	0.000	1	111.3585	0.379	2	108.6387	9.253	6	110.1564	5.245	57	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	4:3:3:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6](C[5]C[6a]C[5])2(C[6]C[6]H)(C[6]C[6]N)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6](C[5]C[6a]C[5])2(C[6]C[6]H)(C[6]C[6]N){2|H<1>,7|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,5|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<2>,3|H<1>,8|C<3>}	107.2788	2.810	4	107.2788	7.898	4	108.6387	9.253	6	110.1564	5.245	57	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	4:3:3:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:N-3:	C[5,6](C[5]C[6a]C[5])(C[5]C[5]N)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)(NCS)	C[5,6](C[5]C[6a]C[5])(C[5]C[5]N)(C[6]C[6]H)(C[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)(NCS){1|O<1>,2|H<1>,3|C<3>}	106.8520	0.000	1	106.8520	0.000	1	106.8520	0.000	1	110.1564	5.245	57	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	4:3:3:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6](C[5]C[6a]C[5])(C[5]C[5]N)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]H)	C[5,6](C[5]C[6a]C[5])(C[5]C[5]N)(C[6]C[6]H)(C[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	114.5690	0.000	1	114.5690	0.000	1	113.0120	4.848	2	110.1564	5.245	57	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	4:3:3:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]N)	C[5,6](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]N){1|O<1>,3|H<1>,5|C<3>}	111.4550	0.000	1	111.4550	0.000	1	113.0120	4.848	2	110.1564	5.245	57	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	4:3:3:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6](C[5]C[6a]C[5])(C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(O)	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6](C[5]C[6a]C[5])(C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O){3|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(O){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	112.0370	0.000	1	112.3680	0.219	2	112.3680	0.219	2	110.1564	5.245	57	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	4:3:3:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6](C[5]C[6a]C[5])(C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(O)	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6](C[5]C[6a]C[5])(C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O){3|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(O){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	112.6990	0.000	1	112.3680	0.219	2	112.3680	0.219	2	110.1564	5.245	57	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	4:3:3:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-3:N-3:	C[5,6](C[5]C[6a]C[5])(C[5]C[5]N)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(O)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)(NCS)	C[5,6](C[5]C[6a]C[5])(C[5]C[5]N)(C[6]C[6]H)(C[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(O){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)(NCS){1|O<1>,2|H<1>,3|C<3>}	110.1120	0.000	1	110.1120	0.000	1	110.1120	0.000	1	110.1564	5.245	57	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	4:3:3:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6](C[5]C[6a]C[5])(C[5]C[5]N)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(O)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]H)	C[5,6](C[5]C[6a]C[5])(C[5]C[5]N)(C[6]C[6]H)(C[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(O){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]C[5]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	109.8270	0.000	1	109.8270	0.000	1	109.2375	0.695	2	110.1564	5.245	57	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	4:3:3:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(O)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]N)	C[5,6](C[5]C[6a]C[5])(C[5]C[6a]N[5])(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(O){1|N<2>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(C[5]N[5]N){1|O<1>,3|H<1>,5|C<3>}	108.6480	0.000	1	108.6480	0.000	1	109.2375	0.695	2	110.1564	5.245	57	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	4:3:3:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[5,6]-4:C[6]-3:Cl-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6](C[5]C[6a]C[5])(C[6]C[6]Cl)(C[6]C[6]H)(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(Cl)	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]I)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]Cl)(C[6]C[6]H)(N[5]C[5]C){1|I<1>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(Cl){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]I){1|Cl<1>,1|C<4>,1|O<1>,3|H<1>,4|C<3>}	111.0350	0.000	1	111.0350	0.000	1	111.0350	0.000	1	110.1564	5.245	57	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	4:3:3:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6](C[5]C[6a]C[5])(C[6]C[6]Cl)(C[6]C[6]H)(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]I)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]Cl)(C[6]C[6]H)(N[5]C[5]C){1|I<1>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|O<1>,4|C<3>}	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]I){1|Cl<1>,1|C<4>,1|O<1>,3|H<1>,4|C<3>}	109.5080	0.000	1	109.5080	0.000	1	110.7712	1.221	13	110.1564	5.245	57	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	4:3:3:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]Se)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C){1|Se<2>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]Se){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	110.4265	0.544	2	110.4265	0.296	2	110.7712	1.221	13	110.1564	5.245	57	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	4:3:3:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	112.2365	0.680	2	112.2365	0.462	2	110.7712	1.221	13	110.1564	5.245	57	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	4:3:3:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]P)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]C){1|O<1>,1|P<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]P){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	111.0977	0.755	4	111.0977	0.570	4	110.7712	1.221	13	110.1564	5.245	57	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	4:3:3:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]S)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]C){1|O<1>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]S){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	109.2005	0.510	2	109.2005	0.260	2	110.7712	1.221	13	110.1564	5.245	57	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	4:3:3:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]Se)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]C){1|Se<2>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]Se){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	111.2000	0.273	2	111.2000	0.074	2	110.7712	1.221	13	110.1564	5.245	57	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	4:3:3:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(O)	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]Se)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C){1|Se<2>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(O){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]Se){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	106.4570	1.281	2	106.4570	1.642	2	106.4570	1.642	2	110.1564	5.245	57	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	4:3:3:	C[6,6a]-3:C[5]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])2(C[6]C[6]O)	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]H)(O)	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])2(C[6]C[6]O){2|H<1>,9|C<3>}	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]H)(O){1|H<1>,6|C<3>}	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,9|C<3>}	106.6243	3.678	4	106.6243	13.531	4	106.6243	13.531	4	110.1564	5.245	57	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	4:3:3:	N[5,6]-3:C[5]-3:C[6a]-3:C[6]-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[5,6a]-3:C-3:	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2)(C[6]N[6]O)	C[6](C[5,6]N[5,6]C[6a]C[5])(N[6]C[6]2)(O)	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(CC[6a]H)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]C)(C[6a]C[6a]2)(C[6]N[6]O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[5,6]N[5,6]C[6a]C[5])(N[6]C[6]2)(O){1|H<1>,2|C<4>,7|C<3>}	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(CC[6a]H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	114.0840	0.000	1	114.0840	0.000	1	114.0840	0.000	1	110.1564	5.245	57	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	4:3:3:	N[5,6]-3:C[5]-3:C[6a]-3:C[6]-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(C[6]N[6]O)	C[6](C[5,6]N[5,6]C[6a]C[5])(N[6]C[6]C)(O)	C[5](C[5,6]N[5,6]C[6a]C[6])(C[6a]C[6a]2)(C[5]C[5]H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)(C[6]N[6]O){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6](C[5,6]N[5,6]C[6a]C[5])(N[6]C[6]C)(O){1|H<1>,6|C<3>}	C[5](C[5,6]N[5,6]C[6a]C[6])(C[6a]C[6a]2)(C[5]C[5]H){1|N<3>,2|H<1>,2|O<1>,5|C<3>}	112.8020	0.000	1	112.8020	0.000	1	112.8020	0.000	1	110.1564	5.245	57	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	4:3:4:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-3:Si-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]Si)(C[6]C[6]O)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(O)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])(SiC3)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]Si)(C[6]C[6]O){3|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(O){1|Si<4>,1|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]C[6a])(SiC3){1|O<1>,7|C<3>}	110.1930	0.000	1	110.1930	0.000	1	110.1930	0.000	1	107.2443	5.166	13	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	4:3:4:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5]C[6a]C[5])(C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(CH3)	C[5,6](C[5]C[6a]C[5])(C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O){3|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(CH3){1|H<1>,1|O<1>,4|C<3>}	110.6300	0.000	1	109.9080	1.043	2	109.9080	1.043	2	107.2443	5.166	13	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	4:3:4:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5]C[6a]C[5])(C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(CH3)	C[5,6](C[5]C[6a]C[5])(C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O){3|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(CH3){1|H<1>,1|O<1>,4|C<3>}	109.1860	0.000	1	109.9080	1.043	2	109.9080	1.043	2	107.2443	5.166	13	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	4:3:4:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5]C[6a]C[5])(C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(O)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(CH3)	C[5,6](C[5]C[6a]C[5])(C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O){3|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(O){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(CH3){1|H<1>,1|O<1>,4|C<3>}	105.6890	0.000	1	105.5845	0.022	2	105.5845	0.022	2	107.2443	5.166	13	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	4:3:4:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5]C[6a]C[5])(C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(O)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(CH3)	C[5,6](C[5]C[6a]C[5])(C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O){3|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(O){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(CH3){1|H<1>,1|O<1>,4|C<3>}	105.4800	0.000	1	105.5845	0.022	2	105.5845	0.022	2	107.2443	5.166	13	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	4:3:4:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(CH3)	C[5,6](C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	108.3825	0.967	4	108.3825	0.936	4	108.3825	0.936	4	107.2443	5.166	13	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	4:3:4:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(O)	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(CH3)	C[5,6](C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(O){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[6]2N[5])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	104.8670	0.803	4	104.8670	0.645	4	104.8670	0.645	4	107.2443	5.166	13	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:1:	4:4:1:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,5]-4:C[5,6]-4:H-1:	C[5,6](C[5]C[5,5]C[6a])(C[5]C[5,5]H)(C[6]C[6]H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]2)(H)	C[5,6](C[5]C[5,5]C[6a])(C[5]C[5,5]H)(C[6]C[6]H)2{1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]2)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	109.9550	2.417	2	109.9550	5.841	2	109.9550	5.841	2	109.9550	5.841	2	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:2:	4:3:1:	C[5,6]-3:C[5]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6](C[5,6]C[5,6]S[5])(C[5]C[5,6a]O)2(C[6]C[6]C)	C[6](C[5,6]C[5,6]C[5]2)(C[6]O[6]N)(CN)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(O)	C[5,6](C[5,6]C[5,6]S[5])(C[5]C[5,6a]O)2(C[6]C[6]C){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|O<1>}	C[6](C[5,6]C[5,6]C[5]2)(C[6]O[6]N)(CN){1|S<4>,2|O<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(O){1|C<2>,1|H<1>,1|O<1>,1|S<4>,4|C<3>}	109.6360	0.444	2	109.6360	0.197	2	109.6360	0.197	2	109.2344	2.442	33	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:2:	4:3:1:	C[5,6a]-3:C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]N[5]O)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]O[6]N)(CN)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){1|C<2>,5|C<3>}	108.2360	0.000	1	108.2360	0.000	1	108.3080	0.010	2	109.2344	2.442	33	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:2:	4:3:1:	C[5,6a]-3:C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5])(C[5]N[5]O)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]O[6]N)(CN)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5])(C[5]N[5]O)(C[6]C[6]C){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,1|S<4>,3|C<3>}	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]H)(O){1|C<2>,1|S<4>,4|C<3>}	108.3800	0.000	1	108.3800	0.000	1	108.3080	0.010	2	109.2344	2.442	33	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:2:	4:3:1:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]N)(CN)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{2|H<1>,2|N<3>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]N)(CN){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){1|C<2>,5|C<3>}	110.2200	0.000	1	110.2200	0.000	1	108.7053	1.183	6	109.2344	2.442	33	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:2:	4:3:1:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]N)(CN)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<2>,5|C<3>}	108.9043	0.748	3	108.9043	0.559	3	108.7053	1.183	6	109.2344	2.442	33	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:2:	4:3:1:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]N)(CN)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){1|C<2>,5|C<3>}	107.6495	0.395	2	107.6495	0.156	2	108.7053	1.183	6	109.2344	2.442	33	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:2:	4:3:1:	C[5,6a]-3:C[5a,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]O[6]N)(CN)	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|N<3>}	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O){1|C<2>,5|C<3>}	112.0680	0.000	1	110.2940	2.377	3	110.2894	4.008	8	109.2344	2.442	33	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:2:	4:3:1:	C[5,6a]-3:C[5a,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]O[6]N)(CN)	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|N<2>}	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O){1|C<2>,5|C<3>}	109.4070	0.184	2	110.2940	2.377	3	110.2894	4.008	8	109.2344	2.442	33	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:2:	4:3:1:	C[5,6a]-3:C[5a,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]O[6]N)(CN)	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]H)(O){1|C<2>,5|C<3>}	110.2866	2.413	5	110.2866	5.825	5	110.2894	4.008	8	109.2344	2.442	33	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:2:	4:3:1:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6]-4:C[5,6a]-3:O-1:	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(CN)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(C[5,6a]C[5,6a,6a]C[6a])(O)	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]C[5,6a]O)(C[6]C[6]C){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(CN){1|O<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(C[5,6a]C[5,6a,6a]C[6a])(O){1|C<2>,1|H<1>,6|C<3>}	108.8300	0.000	1	108.8300	0.000	1	108.8300	0.000	1	109.2344	2.442	33	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:2:	4:3:1:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]N[6]N)(CN)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|H<1>,1|O<1>,2|C<3>,2|N<3>,3|C<4>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]N[6]N)(CN){1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|C<2>,5|C<3>}	108.6907	0.674	3	108.6907	0.454	3	109.3946	1.813	9	109.2344	2.442	33	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:2:	4:3:1:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(CN)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|C<2>,5|C<3>}	109.8093	2.295	3	109.8093	5.266	3	109.3946	1.813	9	109.2344	2.442	33	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:2:	4:3:1:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(CN)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]H)(O){1|C<2>,5|C<3>}	109.3920	0.549	2	109.3920	0.301	2	109.3946	1.813	9	109.2344	2.442	33	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:2:	4:3:1:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]S[6])(C[5]N[5]O)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(CN)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]S[6])(C[5]N[5]O)(C[6]C[6]C){1|O<2>,2|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,1|S<4>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]H)(O){1|C<2>,1|S<4>,4|C<3>}	110.2670	0.000	1	110.2670	0.000	1	109.3946	1.813	9	109.2344	2.442	33	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:2:	4:3:1:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]O[6]N)(CN)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O){1|C<2>,5|C<3>}	108.5815	0.169	2	108.5815	0.029	2	108.9032	0.195	4	109.2344	2.442	33	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:2:	4:3:1:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]O[6]N)(CN)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|O<2>,3|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]H)(O){1|C<2>,5|C<3>}	109.4910	0.000	1	109.2250	0.142	2	108.9032	0.195	4	109.2344	2.442	33	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:2:	4:3:1:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]O[6]N)(CN)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]H)(O){1|C<2>,5|C<3>}	108.9590	0.000	1	109.2250	0.142	2	108.9032	0.195	4	109.2344	2.442	33	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:2:	4:3:1:	C[5a,6]-3:C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	C[6](C[5,6]C[5a,6]C[5,6]C[5])(C[6]O[6]N)(CN)	C[5](C[5,6]C[5a,6]C[5,6]C[6])(N[5]C[5,6]H)(O)	C[5,6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|N<3>}	C[6](C[5,6]C[5a,6]C[5,6]C[5])(C[6]O[6]N)(CN){1|C<2>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5a,6]C[5,6]C[6])(N[5]C[5,6]H)(O){2|C<2>,4|C<3>}	105.3060	0.000	1	105.3060	0.000	1	105.3060	0.000	1	109.2344	2.442	33	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:2:	4:3:3:	C[5]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:N-2:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6](C[5]C[6a]C[5])2(C[6]C[6]H)(C[6]C[6]N)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(NC)	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6](C[5]C[6a]C[5])2(C[6]C[6]H)(C[6]C[6]N){2|H<1>,7|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(NC){2|H<1>,5|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<2>,3|H<1>,8|C<3>}	112.5680	1.369	4	112.5680	1.875	4	112.5680	1.875	4	110.9813	12.765	6	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:2:	4:3:3:	C[6,6a]-3:C[5]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:N-2:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])2(C[6]C[6]N)	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]H)(NC)	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])2(C[6]C[6]N){2|H<1>,9|C<3>}	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]H)(NC){1|H<1>,6|C<3>}	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<2>,2|H<1>,9|C<3>}	107.8080	5.291	2	107.8080	27.990	2	107.8080	27.990	2	110.9813	12.765	6	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:3:	4:2:4:	C[5a,6]-3:C[6]-3:C[5]-3:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:N[5]-2:C-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O)	C[6](C[5,6]C[5a,6]C[5]2)(C[6a]C[6a]2)(C[6]C[6]H)	C[5](C[5,6]C[5a,6]C[5]C[6])(N[5]N[5])(CH3)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C[6](C[5,6]C[5a,6]C[5]2)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<2>,2|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[5](C[5,6]C[5a,6]C[5]C[6])(N[5]N[5])(CH3){1|N<3>,1|O<1>,4|C<3>}	111.9700	0.000	1	111.9700	0.000	1	111.9700	0.000	1	112.4430	1.207	7	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:3:	4:2:4:	C[6,6a]-3:C[6]-3:C[5]-3:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:N[5]-2:C-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O)	C[6](C[5,6]C[6,6a]C[5]2)(C[6a]C[6a]2)(C[6]C[6]H)	C[5](C[5,6]C[6,6a]C[5]C[6])(N[5]N[5])(CH3)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[6,6a]C[5]2)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[5](C[5,6]C[6,6a]C[5]C[6])(N[5]N[5])(CH3){1|C<4>,1|O<1>,4|C<3>}	113.0510	0.376	2	113.0510	0.142	2	113.0510	0.142	2	112.4430	1.207	7	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:3:	4:2:4:	C[6]-3:C[5]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:N-3:	C[5,6]-4:N[5]-2:C-4:	C[5,6](C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O)(C[6]C[6]N)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(NHH)	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	C[5,6](C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O)(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|N<3>,1|O<1>,4|C<3>}	113.4410	0.552	2	113.4410	0.304	2	113.4410	0.304	2	112.4430	1.207	7	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:3:	4:2:4:	C[6]-3:C[5]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:N[5]-2:C-4:	C[5,6](C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O)(C[6]C[6]N)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	C[5,6](C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O)(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<2>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|N<3>,1|O<1>,4|C<3>}	111.0735	0.299	2	111.0735	0.089	2	111.0735	0.089	2	112.4430	1.207	7	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]C)(COO)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]C)(COO){1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){6|C<3>}	111.2745	1.399	2	111.0763	1.097	3	111.3455	2.348	12	110.7957	5.310	40	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]C)(COO)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{2|H<1>,2|N<3>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]C)(COO){1|C<2>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){1|C<2>,5|C<3>}	110.6800	0.000	1	111.0763	1.097	3	111.3455	2.348	12	110.7957	5.310	40	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]H)(CC[6a]O)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]H)(CC[6a]O){1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){6|C<3>}	110.6870	3.891	2	110.6870	15.136	2	111.3455	2.348	12	110.7957	5.310	40	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(CCO)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(CCO){1|C<2>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<2>,5|C<3>}	112.1493	1.046	3	112.1493	1.095	3	111.3455	2.348	12	110.7957	5.310	40	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(CCO)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(CCO){1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){6|C<3>}	110.0530	0.000	1	110.0530	0.000	1	111.3455	2.348	12	110.7957	5.310	40	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(COO)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(COO){1|C<2>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){1|C<2>,5|C<3>}	112.1425	0.045	2	112.1425	0.002	2	111.3455	2.348	12	110.7957	5.310	40	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]N)(COO)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]N)(COO){1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){6|C<3>}	110.7570	0.000	1	110.7570	0.000	1	111.3455	2.348	12	110.7957	5.310	40	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6]-3:N[6]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)(N[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]N[6]C)(COO)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)(N[6]C[6]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]N[6]C)(COO){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){1|H<1>,5|C<3>}	112.2150	0.000	1	112.2150	0.000	1	112.2150	0.000	1	110.7957	5.310	40	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(COO)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]C){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(COO){1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]H)(O){6|C<3>}	111.9600	0.000	1	111.9600	0.000	1	111.9600	0.000	1	110.7957	5.310	40	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:N-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]N)	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(NOO)	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]N){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]O[6]N)(NOO){1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(O){1|N<3>,5|C<3>}	111.6670	0.000	1	111.6670	0.000	1	111.6670	0.000	1	110.7957	5.310	40	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]O[6]N)(COO)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]O[6]N)(COO){1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(O){6|C<3>}	110.7540	0.000	1	110.7540	0.000	1	110.7540	0.000	1	110.7957	5.310	40	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6]-3:N-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]N)(C[5]N[5]O)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]N[5,6]N[5])(NOO)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]N)(C[5]N[5]O)(C[6]C[6]C){2|C<3>,2|H<1>,3|N<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]N[5,6]N[5])(NOO){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){1|N<3>,5|C<3>}	109.9475	0.528	4	109.9475	0.279	4	109.9475	0.279	4	110.7957	5.310	40	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]N)(C[5]N[5]O)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[5,6]N)(CC[6a]O)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]N)(C[5]N[5]O)(C[6]C[6]C){2|C<3>,2|H<1>,3|N<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[5,6]N)(CC[6a]O){1|C<4>,1|O<1>,2|N<3>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){1|N<3>,5|C<3>}	110.3812	1.871	4	110.3812	3.499	4	112.3361	10.365	7	110.7957	5.310	40	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)(C[5]N[5]O)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O)(CCC)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O)(CCC){1|N<3>,2|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|O<1>,5|C<3>}	116.5750	0.198	2	116.5750	0.039	2	112.3361	10.365	7	110.7957	5.310	40	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)(C[5]N[5]O)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O)(COO)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]O)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]O)(COO){1|N<3>,2|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|O<1>,5|C<3>}	111.6780	0.000	1	111.6780	0.000	1	112.3361	10.365	7	110.7957	5.310	40	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]C[6])(C[5]N[5]O)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6]C)(COO)	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]C[6])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6]C)(COO){1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6]N[6])(N[5]C[5,6a]C)(O){6|C<3>}	110.6280	0.000	1	110.6280	0.000	1	110.6280	0.000	1	110.7957	5.310	40	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5]-3:C[6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:N-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[5]N[5]O)(C[6]C[6]N)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(NHH)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[5]N[5]O)(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(NHH){1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){1|N<3>,6|C<3>}	110.4320	2.581	2	110.4320	6.661	2	110.4320	6.661	2	110.7957	5.310	40	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5]-3:C[6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[5]N[5]O)(C[6]C[6]N)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[5]N[5]O)(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|N<2>,1|O<1>,2|N<3>,3|H<1>,5|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){1|N<3>,6|C<3>}	106.0990	2.171	2	106.0990	4.712	2	106.0990	4.712	2	110.7957	5.310	40	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5a,6]-3:C[5,6a]-3:C[6]-3:C[5]-3:	C[5,6]-4:C[6,6]-3:C-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6,6]N[6])(COO)	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C)(C[5]N[5]O){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6,6]N[6])(COO){1|N<3>,1|O<1>,1|S<2>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[5a,6]C[6])(N[5]C[5,6a]C)(O){6|C<3>}	112.3430	0.000	1	112.3430	0.000	1	112.3430	0.000	1	110.7957	5.310	40	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5a,6]-3:C[6]-3:C[5]-3:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O)	C[6](C[5,6]C[5a,6]C[5]2)(C[6a]C[6a]2)(C[6]C[6]H)	C[5](C[5,6]C[5a,6]C[5]C[6])(N[5]C[6a]N[5])(O)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C[6](C[5,6]C[5a,6]C[5]2)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<2>,2|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[5](C[5,6]C[5a,6]C[5]C[6])(N[5]C[6a]N[5])(O){1|C<4>,1|N<3>,5|C<3>}	107.5070	0.000	1	107.5070	0.000	1	107.5070	0.000	1	110.7957	5.310	40	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[6,6a]-3:C[6]-3:C[5]-3:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O)	C[6](C[5,6]C[6,6a]C[5]2)(C[6a]C[6a]2)(C[6]C[6]H)	C[5](C[5,6]C[6,6a]C[5]C[6])(N[5]N[5]C)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[6,6a]C[5]2)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[5](C[5,6]C[6,6a]C[5]C[6])(N[5]N[5]C)(O){1|C<4>,4|C<3>}	111.7505	1.965	2	111.7505	3.861	2	111.7505	3.861	2	110.7957	5.310	40	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[6]-3:C[5]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:N-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O)(C[6]C[6]N)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(NHH)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O)(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(NHH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){1|C<4>,1|N<3>,5|C<3>}	108.3685	0.872	2	108.3685	0.760	2	108.3685	0.760	2	110.7957	5.310	40	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[6]-3:C[5]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O)(C[6]C[6]N)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[6]C[6a]C[6])(C[5]N[5]C)(C[5]N[5]O)(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<2>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){1|C<4>,1|N<3>,5|C<3>}	109.5835	0.914	2	109.5835	0.836	2	109.5835	0.836	2	110.7957	5.310	40	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:3:	4:3:2:	C[5]-3:C[6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:N-3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[5]N[5]O)(C[6]C[6]N)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(NHH)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]N[5])	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[5]N[5]O)(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(NHH){1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]N[5]){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	111.8420	0.525	2	111.8420	0.275	2	111.8420	0.275	2	113.2450	3.662	4	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:3:	4:3:2:	C[5]-3:C[6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[5]N[5]O)(C[6]C[6]N)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]N[5])	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[5]N[5]O)(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|N<2>,1|O<1>,2|N<3>,3|H<1>,5|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]N[5]){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	114.6480	1.684	2	114.6480	2.837	2	114.6480	2.837	2	113.2450	3.662	4	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:4:	4:3:1:	C[5,6a]-3:C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]N[5]O)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]O)(CH3)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]N[5]O)(C[6]C[6]C){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,2|O<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(O){2|C<4>,4|C<3>}	107.9530	0.000	1	107.9530	0.000	1	107.9530	0.000	1	107.9530	0.000	1	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]C)2	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CH3)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]I)(C[6a]C[6a]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6]C[6]C)2{1|I<1>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CH3){1|C<4>,1|O<1>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]I)(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	112.0613	0.941	4	112.0613	0.886	4	112.0613	0.886	4	112.0613	0.886	4	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:3:	4:4:1:	4:3:2:	C[5,6]-3:C[6,6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-3:C-2:	C[5,6](C[5,6]C[6,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(C[6]C[6]O)	C[6](C[5,6]C[6,6a]C[5,6]C[5])(C[6]C[6]HH)(O)	C[5](C[5,6]C[6,6a]C[5,6]C[6])(C[5]C[5,6]N[6])(CN)	C[5,6](C[5,6]C[6,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(C[6]C[6]O){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[6,6a]C[5,6]C[5])(C[6]C[6]HH)(O){1|C<2>,2|H<1>,5|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]C[6])(C[5]C[5,6]N[6])(CN){1|O<1>,3|C<3>,4|C<4>}	105.3080	0.000	1	105.3080	0.000	1	105.3080	0.000	1	105.3080	0.000	1	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:4:	4:3:1:	3:4:1:	C[5,6]-3:C[5]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]H)(CH3){2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O){1|H<1>,5|C<3>}	114.4830	0.000	1	114.4830	0.000	1	114.4830	0.000	1	114.4830	0.000	1	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:4:	4:3:1:	4:3:2:	C[5,6]-3:C[5]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:N-2:	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]N)(C[6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]N[5])(NC[6a])	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]N)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(H){1|H<1>,2|C<3>,2|N<2>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]N[5])(NC[6a]){1|H<1>,4|C<3>}	122.6250	0.000	1	122.6250	0.000	1	122.6250	0.000	1	122.6250	0.000	1	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:3:4:	4:3:3:	4:3:4:	C[5,6]-3:C[5]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[6]P[5])(C[5]C[5]C)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(COO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]P[5]H)(CH3)	C[5,6](C[5,6]C[6]P[5])(C[5]C[5]C)(C[6]C[6]C)(CH3){1|C<4>,1|W<6>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(COO){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]P[5]H)(CH3){1|W<6>,4|C<3>}	117.3680	0.000	1	117.3680	0.000	1	117.3680	0.000	1	117.3680	0.000	1	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:4:2:	3:4:3:	4:3:3:	C[5]-3:C[6]-3:C[6]-4:O[5]-2:	C[6,6a]-3:C[5,6]-4:C-3:	C[5,6]-4:C[5]-3:N[6]-3:	C[5,6](C[5]C[5]N[6])(C[6]C[6,6a]C)(C[6]C[6]HH)(O[5]C[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(CCH)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(N[6]C[6]2)	C[5,6](C[5]C[5]N[6])(C[6]C[6,6a]C)(C[6]C[6]HH)(O[5]C[5]){1|C<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(CCH){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(N[6]C[6]2){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	115.7280	0.000	1	115.7280	0.000	1	115.7280	0.000	1	115.7280	0.000	1	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:4:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6,6]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]H)(C[6]C[6]CH)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6a]N[6,6])(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]H)(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6a]N[6,6])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<4>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	106.9380	0.286	2	106.9380	0.082	2	106.9380	0.082	2	106.9380	0.082	2	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6])(C[6]C[6]CO)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6])(C[6]C[6]CO)(C[5]N[5]O){1|C<4>,4|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|O<2>,5|C<3>}	110.0600	0.000	1	110.0600	0.000	1	110.0600	0.000	1	108.5463	4.024	3	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5]-3:C[6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[6]C[6]HH)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){1|C<4>,2|H<1>,5|C<3>}	106.2710	0.000	1	106.2710	0.000	1	107.7895	4.612	2	108.5463	4.024	3	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:4:3:	4:3:3:	4:3:1:	C[5]-3:C[6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[6]C[6]HO)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[6]C[6]HO)(C[5]N[5]O){1|C<4>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	109.3080	0.000	1	109.3080	0.000	1	107.7895	4.612	2	108.5463	4.024	3	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:4:3:	4:3:3:	4:3:2:	C[5]-3:C[6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[6]C[6]HH)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]N[5])	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[6]C[6]HH)(C[5]N[5]O){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	114.2260	0.000	1	114.2260	0.000	1	114.4025	0.062	2	114.4025	0.062	2	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:3:4:3:	4:3:3:	4:3:2:	C[5]-3:C[6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[6]C[6]HO)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]N[5])	C[5,6](C[5]C[6a]N[5])(C[6]C[6a]C[6])(C[6]C[6]HO)(C[5]N[5]O){1|C<4>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]N[5]){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	114.5790	0.000	1	114.5790	0.000	1	114.4025	0.062	2	114.4025	0.062	2	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:4:3:2:	3:4:1:	4:3:1:	C[6]-3:C[6]-4:C[5]-3:O[5]-2:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6]C[6,6a]O)(C[6]C[6]HH)(C[5]C[5]H)(O[5]C[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(H)	C[5,6](C[6]C[6,6a]O)(C[6]C[6]HH)(C[5]C[5]H)(O[5]C[5]){1|C<4>,2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){4|H<1>,5|C<3>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(H){2|C<3>,2|H<1>,2|O<1>}	108.6980	0.000	1	108.6980	0.000	1	108.6980	0.000	1	108.6980	0.000	1	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:4:3:3:	3:4:1:	4:2:2:	C[6]-3:C[6]-4:C[5]-3:N[5]-3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:S[5]-2:N-2:	C[5,6](C[6]C[6,6a]O)(C[6]C[6]HH)(C[5]S[5]N)(N[5]N[5]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(O)	C[5](C[5,6]C[6]2N[5])(S[5]N[5])(NC[6a])	C[5,6](C[6]C[6,6a]O)(C[6]C[6]HH)(C[5]S[5]N)(N[5]N[5]C){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(O){1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[6]2N[5])(S[5]N[5])(NC[6a]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	106.8805	0.476	2	106.8805	0.226	2	106.8805	0.226	2	106.8805	0.226	2	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:4:3:3:	3:4:1:	4:3:1:	C[6]-3:C[5]-4:C[5]-3:N[6]-3:	C[5a,6]-3:C[5,6]-4:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[5a,6]H)(C[5]C[5]HH)(C[5]N[5]O)(N[6]C[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]2N[6])(H)	C[5](C[5,6]C[5]C[6]N[6])(N[5]C[5]C)(O)	C[5,6](C[6]C[5a,6]H)(C[5]C[5]HH)(C[5]N[5]O)(N[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]2N[6])(H){1|O<1>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5](C[5,6]C[5]C[6]N[6])(N[5]C[5]C)(O){1|C<4>,2|C<3>,5|H<1>}	103.2810	0.000	1	103.2810	0.000	1	103.2810	0.000	1	103.2810	0.000	1	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:4:3:3:	3:4:1:	4:4:3:	C[6]-3:C[5]-4:C[5]-3:C[6]-3:	C[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:Si[5]-4:C-3:	C[5,6](C[6]C[5,6]H)(C[5]O[5]HH)(C[5]Si[5]C)(C[6]O[6]O)	C[6](C[5,6]C[5,6]C[5])(C[5,6]C[5]2C[6])(H)	C[5](C[5,6]C[5]C[6]2)(Si[5]O[5]CC)(CCH)	C[5,6](C[6]C[5,6]H)(C[5]O[5]HH)(C[5]Si[5]C)(C[6]O[6]O){4|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[5,6]C[5]2C[6])(H){1|Si<4>,1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(Si[5]O[5]CC)(CCH){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	114.0880	0.000	1	114.0880	0.000	1	114.0880	0.000	1	114.0880	0.000	1	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:4:3:3:	3:4:3:	4:3:1:	C[6]-3:C[5]-4:C[5]-3:C[6]-3:	C[6,6a]-3:C[5,6]-4:C-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6,6a]C)(C[5]C[5]CH)(C[5]N[5]O)(C[6]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CHH)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(O)	C[5,6](C[6]C[6,6a]C)(C[5]C[5]CH)(C[5]N[5]O)(C[6]N[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CHH){2|C<3>,2|C<4>,2|H<1>,2|N<3>,2|O<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	114.4750	0.000	1	114.4750	0.000	1	114.4750	0.000	1	114.4750	0.000	1	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:4:3:3:	4:2:1:	4:4:3:	C[6]-3:C[5]-4:C[5]-3:C[6]-3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:Si[5]-4:C-3:	C[5,6](C[6]C[5,6]H)(C[5]O[5]HH)(C[5]Si[5]C)(C[6]O[6]O)	C[6](C[5,6]C[5]2C[6])(O[6]C[5,6])(O)	C[5](C[5,6]C[5]C[6]2)(Si[5]O[5]CC)(CCH)	C[5,6](C[6]C[5,6]H)(C[5]O[5]HH)(C[5]Si[5]C)(C[6]O[6]O){4|C<4>}	C[6](C[5,6]C[5]2C[6])(O[6]C[5,6])(O){1|Si<4>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5]C[6]2)(Si[5]O[5]CC)(CCH){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	106.1950	0.000	1	106.1950	0.000	1	106.1950	0.000	1	106.1950	0.000	1	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:4:3:3:	4:3:1:	3:4:3:	C[5]-3:C[5]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,5]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6]C[6]H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5](C[5,5]C[5,5]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)	C[5,6](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6]C[6]H)2{2|N<3>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2){1|N<3>,6|C<3>,7|H<1>}	111.1155	2.184	2	111.1155	4.771	2	111.1155	4.771	2	110.9854	4.055	8	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:4:3:3:	4:3:1:	3:4:3:	C[5]-3:C[5]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6]C[6]H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)	C[5,6](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6]C[6]H)2{1|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2){1|C<4>,6|H<1>,7|C<3>}	111.3305	1.314	4	111.3305	1.728	4	111.3305	1.728	4	110.9854	4.055	8	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:4:3:3:	4:3:1:	3:4:3:	C[5]-3:C[5]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5a]-3:C[5,6]-4:C[5]-3:	C[5,6](C[5]C[5a]C[5])(C[5]C[5]HH)(C[6]C[6]H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5,6]C[5]C[6]2)(C[5]C[5]O)	C[5,6](C[5]C[5a]C[5])(C[5]C[5]HH)(C[6]C[6]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5,6]C[5]C[6]2)(C[5]C[5]O){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	110.1650	4.072	2	110.1650	16.577	2	110.1650	16.577	2	110.9854	4.055	8	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:4:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(C[5]N[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]H)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)(C[5]N[5]O)(C[6]C[6]H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]H)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>,3|H<1>}	106.8120	0.000	1	106.8120	0.000	1	109.3704	4.247	5	107.9608	3.430	16	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:4:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]N[6])(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]N[6])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<4>,5|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	109.2590	0.000	1	109.2590	0.000	1	109.3704	4.247	5	107.9608	3.430	16	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:4:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>,3|H<1>}	111.6790	0.000	1	111.6790	0.000	1	109.3704	4.247	5	107.9608	3.430	16	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:4:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6])(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(C[6]C[6]H){2|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6])(H){1|C<4>,1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>,3|H<1>}	107.9640	0.000	1	107.9640	0.000	1	109.3704	4.247	5	107.9608	3.430	16	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:4:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HS)(C[5]N[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HS)(C[5]N[5]O)(C[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|S<2>,2|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	111.1380	0.000	1	111.1380	0.000	1	109.3704	4.247	5	107.9608	3.430	16	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:4:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(O)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]O){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	106.7440	0.000	1	106.7440	0.000	1	107.4153	2.045	8	107.9608	3.430	16	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:4:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(O)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	107.3080	0.000	1	107.3080	0.000	1	107.4153	2.045	8	107.9608	3.430	16	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:4:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]C)(O)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O){2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]C)(O){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	105.1750	0.000	1	105.1750	0.000	1	107.4153	2.045	8	107.9608	3.430	16	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:4:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(O)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	108.5250	0.000	1	107.6933	1.631	4	107.4153	2.045	8	107.9608	3.430	16	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:4:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(O)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(O){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	105.8770	0.000	1	107.6933	1.631	4	107.4153	2.045	8	107.9608	3.430	16	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:4:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(O)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	107.7290	0.000	1	107.6933	1.631	4	107.4153	2.045	8	107.9608	3.430	16	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:4:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(O)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	108.6420	0.000	1	107.6933	1.631	4	107.4153	2.045	8	107.9608	3.430	16	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:4:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)(C[6]C[6]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(O)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)(C[6]C[6]O){1|C<4>,3|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	109.3220	0.000	1	109.3220	0.000	1	107.4153	2.045	8	107.9608	3.430	16	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:4:3:3:	4:3:1:	4:3:1:	C[6,6a]-3:C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]2C[5])(C[5]N[5]O)(C[6]C[6]H)	C[6](C[5,6]C[6,6a]C[5,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]C[6,6a]C[5,6]C[6])(N[5]C[5]C)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6a]2C[5])(C[5]N[5]O)(C[6]C[6]H){1|O<1>,2|C<4>,2|H<1>,6|C<3>}	C[6](C[5,6]C[6,6a]C[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]C[6])(N[5]C[5]C)(O){1|H<1>,1|O<1>,5|C<3>}	108.6330	0.000	1	108.6330	0.000	1	108.6330	0.000	1	107.9608	3.430	16	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:4:3:3:	4:3:1:	4:3:1:	C[6]-3:C[5]-4:C[5]-3:C[6]-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6,6a]C)(C[5]C[5]CH)(C[5]N[5]O)(C[6]N[6]O)	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6a]C)(O)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(O)	C[5,6](C[6]C[6,6a]C)(C[5]C[5]CH)(C[5]N[5]O)(C[6]N[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6a]C)(O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	107.2170	0.000	1	107.2170	0.000	1	107.2170	0.000	1	107.9608	3.430	16	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:4:3:3:	4:3:1:	4:3:1:	N[5,6]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](N[5,6]C[5]N[6])(C[6]C[6]2H)(C[5]N[5]O)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5]C[6])(C[6]C[6]H)(H)	C[5](C[5,6]N[5,6]C[6]2)(N[5]C[5]C)(O)	C[5,6](N[5,6]C[5]N[6])(C[6]C[6]2H)(C[5]N[5]O)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,2|N<3>,3|H<1>}	C[5](C[5,6]N[5,6]C[6]2)(N[5]C[5]C)(O){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	105.3480	0.000	1	105.3480	0.000	1	105.3480	0.000	1	107.9608	3.430	16	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:4:3:3:	4:3:1:	4:3:3:	C[5]-3:C[6]-4:C[6]-3:N[5]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6](C[5]C[6a]C[5])(C[6]C[6]HO)(C[6]C[6]H)(N[5]C[5]C)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]Br)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]HO)(C[6]C[6]H)(N[5]C[5]C){1|Br<1>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(C[5]C[5]Br){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	113.2150	0.000	1	113.2150	0.000	1	113.2150	0.000	1	108.2163	25.505	3	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:4:3:3:	4:3:1:	4:3:3:	C[6,6a]-3:C[5]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5,6a]-3:C-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]C)(C[6]C[6]O)	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]H)(O)	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(CHH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]C)(C[6]C[6]O){2|H<1>,5|C<3>}	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]H)(O){2|H<1>,6|C<3>}	C[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(CHH){1|O<1>,2|H<1>,6|C<3>}	105.7170	3.678	2	105.7170	13.530	2	105.7170	13.530	2	108.2163	25.505	3	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:4:3:3:	4:3:1:	4:4:3:	C[5]-3:C[5]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[4]-3:	C[5,6](C[5]C[4]C[5])(C[5]O[5]HH)(C[6]C[6]H)(C[6]N[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]HH)(C[4]C[4]2)	C[5,6](C[5]C[4]C[5])(C[5]O[5]HH)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]HH)(C[4]C[4]2){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	108.7090	0.000	1	108.7090	0.000	1	108.7090	0.000	1	109.9150	2.909	2	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:4:3:3:	4:3:1:	4:4:3:	C[5]-3:C[5]-4:C[6]-3:C[6]-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[5]-4:C[4]-3:	C[5,6](C[5]C[4]C[5])(C[5]O[5]HH)(C[6]C[6]H)(C[6]N[6]O)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]HH)(C[4]C[4]2)	C[5,6](C[5]C[4]C[5])(C[5]O[5]HH)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]HH)(C[4]C[4]2){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	111.1210	0.000	1	111.1210	0.000	1	111.1210	0.000	1	109.9150	2.909	2	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:4:3:3:	4:3:2:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]HH)(C[5]N[5]O)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[5a,6]N)(CN)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]HH)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[5a,6]N)(CN){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<2>,2|H<1>,4|C<3>}	112.9130	0.000	1	112.9130	0.000	1	112.9130	0.000	1	109.7786	3.204	8	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:4:3:3:	4:3:2:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:N-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]N)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(NH)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]N){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(NH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	109.2278	1.467	6	109.2278	2.151	6	109.3309	1.867	7	109.7786	3.204	8	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:4:3:3:	4:3:2:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:N-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]N)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(NH)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)(C[5]N[5]O)(C[6]C[6]N){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(NH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	109.9490	0.000	1	109.9490	0.000	1	109.3309	1.867	7	109.7786	3.204	8	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:4:3:3:	4:3:3:	4:2:4:	C[6]-3:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:N[5]-2:C-4:	C[5,6](C[6]C[6a]C[6])(C[6]C[6]HO)(C[5]N[5]C)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	C[5,6](C[6]C[6a]C[6])(C[6]C[6]HO)(C[5]N[5]C)(C[5]N[5]O){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	113.3260	0.000	1	113.3260	0.000	1	113.3260	0.000	1	113.3260	0.000	1	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(C[5]N[5]O)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[5,6]C)(COO)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[5,6]C)(COO){1|C<4>,1|N<3>,1|O<1>,2|C<2>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,2|C<2>,4|C<3>}	110.1190	0.000	1	110.1190	0.000	1	111.7864	4.629	8	111.3536	7.579	10	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CH)(C[5]N[5]O)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(COO)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CH)(C[5]N[5]O)(C[6]C[6]C){2|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(COO){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	108.2500	0.000	1	108.2500	0.000	1	111.7864	4.629	8	111.3536	7.579	10	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]HH)(C[5]N[5]O)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5,6]H)(COO)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]HH)(C[5]N[5]O)(C[6]C[6]C){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5,6]H)(COO){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	113.4050	0.000	1	113.4050	0.000	1	111.7864	4.629	8	111.3536	7.579	10	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[5]N[5]O)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]C)(COO)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]C)(COO){1|C<4>,1|N<3>,1|O<1>,2|C<2>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,2|C<2>,4|C<3>}	114.3270	0.000	1	114.3270	0.000	1	111.7864	4.629	8	111.3536	7.579	10	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[5]N[5]O)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]H)(COO)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]H)(COO){1|C<4>,1|N<3>,1|O<1>,2|C<2>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,2|C<2>,4|C<3>}	114.2850	0.000	1	114.2850	0.000	1	111.7864	4.629	8	111.3536	7.579	10	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CHH)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CHH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	110.8660	0.000	1	110.8660	0.000	1	111.7864	4.629	8	111.3536	7.579	10	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(CC[6a]O)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(C[5]N[5]O)(C[6]C[6]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(CC[6a]O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){2|H<1>,5|C<3>}	112.1560	0.000	1	112.1560	0.000	1	111.7864	4.629	8	111.3536	7.579	10	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(COO)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,3|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(COO){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,5|C<3>}	110.8830	0.000	1	110.8830	0.000	1	111.7864	4.629	8	111.3536	7.579	10	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:N-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[5]N[5]O)(C[6]C[6]N)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(NHH)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[5]N[5]O)(C[6]C[6]N){1|C<2>,1|C<4>,2|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(NHH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	105.8600	0.000	1	105.8600	0.000	1	105.8600	0.000	1	111.3536	7.579	10	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:4:3:3:	4:3:3:	4:3:1:	C[6]-3:C[6]-4:C[5]-3:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6a]C[6])(C[6]C[6]HO)(C[5]N[5]C)(C[5]N[5]O)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[6]C[6a]C[6])(C[6]C[6]HO)(C[5]N[5]C)(C[5]N[5]O){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	113.3850	0.000	1	113.3850	0.000	1	113.3850	0.000	1	111.3536	7.579	10	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:4:3:3:	4:3:3:	4:3:2:	C[5,6a]-3:C[5,6]-4:C[6]-3:C[5]-3:	C[5,6]-4:C[5,6]-3:C[6a]-3:	C[5,6]-4:C[5a]-3:N[5]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[5,6]C[6a])(C[5]C[5a]N[5])	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)	C[5](C[5,6]C[5,6a]C[5,6]C[6])(C[5a]C[5a]N[5a])(N[5]C[5,6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]H)(C[6]C[5,6]C[6a])(C[5]C[5a]N[5]){10|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2){1|H<1>,1|N<3>,2|F<1>,2|N<2>,8|C<3>}	C[5](C[5,6]C[5,6a]C[5,6]C[6])(C[5a]C[5a]N[5a])(N[5]C[5,6a]){1|N<3>,2|H<1>,8|C<3>}	114.8210	0.000	1	114.8210	0.000	1	114.8210	0.000	1	114.8210	0.000	1	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:4:3:3:	4:3:4:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CH3)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5]N[5]O)(C[6]C[6]C){1|C<4>,4|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(O){1|H<1>,2|C<4>,4|C<3>}	108.6100	0.000	1	108.6100	0.000	1	108.6100	0.000	1	108.6100	0.000	1	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:4:3:3:	4:4:1:	3:4:3:	C[5]-3:C[5]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6]C[6]O)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(O)	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2)	C[5,6](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6]C[6]O)2{2|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(O){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]2)(C[6a]C[6a]2){2|O<1>,3|C<4>,4|H<1>,5|C<3>}	112.1585	1.098	2	112.1585	1.206	2	112.1585	1.206	2	112.1585	1.206	2	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:4:4:3:	3:4:1:	4:2:1:	C[6]-3:C[5]-4:C[6]-4:C[5]-3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(O)	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|C<3>,2|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	107.8290	0.000	1	107.8290	0.000	1	107.8290	0.000	1	107.8290	0.000	1	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:4:4:3:	3:4:1:	4:3:1:	C[6]-3:C[5]-4:C[6]-4:C[5]-3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[5]-3:O-1:	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(O)	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O){1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	104.3620	0.000	1	104.3620	0.000	1	104.3620	0.000	1	104.3620	0.000	1	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:4:4:3:	3:4:1:	4:3:2:	C[6]-3:C[5]-4:C[6]-4:C[5]-3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[5]-3:O-2:	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(OC)	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]O){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(OC){1|C<3>,1|C<4>,2|O<1>,4|H<1>}	109.1990	0.000	1	109.1990	0.000	1	109.1990	0.000	1	109.1990	0.000	1	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:4:4:3:	3:4:1:	4:3:3:	C[6]-3:C[5]-4:C[6]-4:C[5]-3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:N[5]-3:C-3:	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]N[5]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(CC[6a]H)	C[5,6](C[6]C[6,6a]O)(C[5]C[5]HH)(C[6]C[6]HH)(C[5]N[5]C){1|S<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(CC[6a]H){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	111.2060	0.000	1	111.2060	0.000	1	111.2060	0.000	1	111.2060	0.000	1	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:4:4:3:	3:4:3:	4:3:1:	C[6]-3:C[5]-4:C[6]-4:C[5]-3:	C[6,6a]-3:C[5,6]-4:C-3:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6]C[6,6a]C)(C[5]C[5]HH)(C[6]N[6]HH)(C[5]C[5]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CCH)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(H)	C[5,6](C[6]C[6,6a]C)(C[5]C[5]HH)(C[6]N[6]HH)(C[5]C[5]H){1|S<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CCH){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(H){1|N<3>,2|C<3>,6|H<1>}	114.8890	0.000	1	114.8890	0.000	1	114.8890	0.000	1	114.8890	0.000	1	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	3:4:4:3:	3:4:4:	4:3:1:	C[6]-3:C[5]-4:C[6]-4:C[5]-3:	C[6,6]-3:C[5,6]-4:C-4:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6]C[6,6]C)(C[5]C[5]CC)(C[6]C[6]HH)(C[5]C[5]H)	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(CH3)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(H)	C[5,6](C[6]C[6,6]C)(C[5]C[5]CC)(C[6]C[6]HH)(C[5]C[5]H){1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(CH3){1|O<2>,2|C<3>,4|H<1>,6|C<4>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	106.7760	0.000	1	106.7760	0.000	1	106.7760	0.000	1	106.7760	0.000	1	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:1:	4:2:1:	4:2:1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]O[5]O)(C[6]O[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(O)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,5])(O)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]O[5]O)(C[6]O[6]O)(H){4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5,5])(O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	111.4100	0.000	1	111.4100	0.000	1	111.4100	0.000	1	111.4100	0.000	1	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:1:	4:2:1:	4:4:1:	C[5,6,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]C[5]O)(C[6]O[6]O)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(O[6]C[5,6])(O)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(O)	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]C[5]O)(C[6]O[6]O)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(O[6]C[5,6])(O){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	110.3060	0.000	1	110.3060	0.000	1	110.3060	0.000	1	110.3060	0.000	1	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:1:	4:3:1:	4:2:1:	C[5,5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5]O[5]O)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6,6]C)(H)	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(O)	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5]O[5]O)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6,6]C)(H){1|O<1>,2|O<2>,4|C<4>}	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	107.7740	0.857	2	107.7740	0.734	2	107.7740	0.734	2	108.7196	0.935	5	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:1:	4:3:1:	4:2:1:	C[5,6,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(O)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5])(O){1|C<4>,2|C<3>,3|H<1>}	109.3160	0.000	1	109.3160	0.000	1	109.3160	0.000	1	108.7196	0.935	5	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:1:	4:3:1:	4:2:1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){1|C<3>,1|C<4>,4|H<1>}	109.3670	0.150	2	109.3670	0.022	2	109.3670	0.022	2	108.7196	0.935	5	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:1:	4:3:1:	4:3:1:	C[5,5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[5]N[5]O)(C[6]N[6]O)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6]C)(O)	C[5](C[5,6]C[5,5,6]C[6]H)(N[5]C[5,5]C)(O)	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[5]N[5]O)(C[6]N[6]O)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6]C)(O){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(N[5]C[5,5]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|N<3>}	107.3480	0.000	1	107.3480	0.000	1	107.3480	0.000	1	108.7912	15.819	5	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:1:	4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]N[5]O)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]N[5]O)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]C)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	107.8860	0.000	1	107.8860	0.000	1	109.9447	26.565	3	108.7912	15.819	5	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:1:	4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]N[5]O)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]C)(O)	C[5,6](C[5,6]C[5,6]HH)(C[5]N[5]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|Br<1>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]C)(O){1|C<3>,1|C<4>,4|H<1>}	106.1380	0.000	1	106.1380	0.000	1	109.9447	26.565	3	108.7912	15.819	5	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:1:	4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]O)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6])(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]O)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6])(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	115.8100	0.000	1	115.8100	0.000	1	109.9447	26.565	3	108.7912	15.819	5	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:1:	4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:O-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]O)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]O)(C[5]C[5]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(O){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	106.7740	0.000	1	106.7740	0.000	1	106.7740	0.000	1	108.7912	15.819	5	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:1:	4:3:1:	4:3:2:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:O-2:	C[5,6](C[5,6]C[5,6]C[6a]H)(C[5]C[5]O)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(OC)	C[5,6](C[5,6]C[5,6]C[6a]H)(C[5]C[5]O)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(OC){1|C<4>,2|C<3>,3|H<1>}	107.5525	0.316	2	107.5525	0.100	2	107.5525	0.100	2	108.0693	0.851	3	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:1:	4:3:1:	4:3:2:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[6a]-3:N[5]-2:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5])(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5])(C[6]C[6]O)(H){1|H<1>,2|O<2>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]O[5]){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	109.1030	0.000	1	109.1030	0.000	1	109.1030	0.000	1	108.0693	0.851	3	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:1:	4:3:1:	4:3:3:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6])(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(COO)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6])(H){1|C<4>,6|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(COO){3|C<3>,3|H<1>}	115.0665	0.235	2	115.0665	0.055	2	113.8080	4.779	3	112.1164	11.680	7	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:1:	4:3:1:	4:3:3:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]C)(COO)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]C)(C[6]C[6]H)(H){1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]C)(COO){2|C<3>,2|H<1>}	111.2910	0.000	1	111.2910	0.000	1	113.8080	4.779	3	112.1164	11.680	7	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:1:	4:3:1:	4:3:3:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6](C[5,6]C[5,5,6]CC)(C[5]C[6a]C[5])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C[6a])(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,6](C[5,6]C[5,5,6]CC)(C[5]C[6a]C[5])(C[6]C[6]H)(H){6|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C[6a])(H){2|C<4>,6|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]C[6a])(C[6a]C[6a]2){1|C<4>,3|H<1>,8|C<3>}	105.3740	0.000	1	105.3740	0.000	1	105.3740	0.000	1	112.1164	11.680	7	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:1:	4:3:1:	4:3:3:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:N[5]-3:	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]N[5])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]H)(N[5]C[5]2)	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]N[5])(C[6]C[6]H)(H){1|S<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]H)(N[5]C[5]2){1|C<4>,1|H<1>,1|S<4>,2|O<1>,4|C<3>}	111.2780	0.000	1	111.2780	0.000	1	112.8975	5.246	2	112.1164	11.680	7	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:1:	4:3:1:	4:3:3:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:N[5]-3:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]N[5])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]H)(N[5]C[5]2)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]N[5])(C[6]C[6]H)(H){1|S<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]H)(N[5]C[5]2){1|S<4>,2|H<1>,2|O<1>,4|C<3>}	114.5170	0.000	1	114.5170	0.000	1	112.8975	5.246	2	112.1164	11.680	7	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:1:	4:3:1:	4:3:3:	C[5,6]-4:C[6]-3:C[5]-3:H-1:	C[5,6]-4:C[6]-3:Cl-1:	C[5,6]-4:C[5]-3:C[5]-3:	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]Cl)(C[5]C[5]2)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Cl)(Cl)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O[5])(C[5]S[5]O)	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]Cl)(C[5]C[5]2)(H){2|Cl<1>,1|C<3>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Cl)(Cl){1|Cl<1>,1|H<1>,1|S<2>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O[5])(C[5]S[5]O){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	112.2220	0.000	1	112.2220	0.000	1	112.2220	0.000	1	112.1164	11.680	7	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:1:	4:3:1:	4:3:4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]H)(H){1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	109.3500	0.000	1	109.3500	0.000	1	109.3500	0.000	1	109.0173	0.206	3	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:1:	4:3:1:	4:3:4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]C)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]H)(CH3)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(O){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]H)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	108.8510	0.496	2	108.8510	0.246	2	108.8510	0.246	2	109.0173	0.206	3	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:1:	4:3:1:	4:4:1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]O)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H){2|O<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O){1|C<3>,2|C<4>,3|H<1>}	113.1670	0.000	1	113.1670	0.000	1	113.1670	0.000	1	113.1670	0.000	1	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:1:	4:3:1:	4:4:3:	C[3x5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[3x5,6]C[5,5,6]N[5,5]N[5])(C[5]C[5]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]H)(H)	C[5](C[5,6]C[3x5,6]C[6]H)(C[5]N[5,5]HH)(CCH)	C[5,6](C[3x5,6]C[5,5,6]N[5,5]N[5])(C[5]C[5]C)(C[6]C[6]H)(H){3|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|N<3>}	C[5](C[5,6]C[3x5,6]C[6]H)(C[5]N[5,5]HH)(CCH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	108.6960	0.000	1	108.6960	0.000	1	108.6960	0.000	1	111.5580	25.248	4	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:1:	4:3:1:	4:4:3:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO){1|C<4>,2|H<1>,3|C<3>}	115.2930	0.000	1	115.2930	0.000	1	115.7865	0.487	2	111.5580	25.248	4	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:1:	4:3:1:	4:4:3:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]H)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]H){1|C<4>,1|H<1>,2|C<3>}	116.2800	0.000	1	116.2800	0.000	1	115.7865	0.487	2	111.5580	25.248	4	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:1:	4:3:1:	4:4:3:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]C)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHH)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(O){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	105.9630	0.000	1	105.9630	0.000	1	105.9630	0.000	1	111.5580	25.248	4	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:1:	4:3:3:	4:2:1:	C[5,6,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]O[5]O)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CHH)	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(O)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]O[5]O)(C[6]C[6]C)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CHH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6])(O){1|H<1>,2|C<4>,3|C<3>}	112.7750	0.000	1	112.7750	0.000	1	112.7750	0.000	1	111.1445	5.317	2	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:1:	4:3:3:	4:2:1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CC[6a]H)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CC[6a]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	109.5140	0.000	1	109.5140	0.000	1	109.5140	0.000	1	111.1445	5.317	2	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:1:	4:3:3:	4:3:1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]H)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(COO)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]H)(C[6]C[6]C)(H){1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(COO){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]H)(H){1|C<4>,2|C<3>,3|H<1>}	107.1390	0.000	1	107.1390	0.000	1	107.1390	0.000	1	108.2843	1.119	3	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:1:	4:3:3:	4:3:1:	C[5,6]-4:C[6]-3:C[5]-3:F-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:C[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]O)(F)	C[6](C[5,6]C[5,6]C[5]F)(C[6a]C[6a]2)(C[6]C[6]F)	C[5](C[5,6]C[5,6]C[6]F)(C[5]C[5]F)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]O)(F){1|C<4>,2|C<3>,2|F<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]F)(C[6a]C[6a]2)(C[6]C[6]F){1|C<4>,1|O<1>,2|H<1>,3|F<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]F)(C[5]C[5]F)(O){1|C<4>,2|C<3>,2|H<1>}	108.8570	0.520	2	108.8570	0.271	2	108.8570	0.271	2	108.2843	1.119	3	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:1:	4:3:3:	4:3:2:	C[5,6]-4:C[6]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[5]-3:C-2:	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[5]C[6])(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5]S[5]2)(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]H)(CN)	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[5]C[6])(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|S<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[5]S[5]2)(C[6]C[6]O){1|C<2>,1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]H)(CN){1|C<4>,3|C<3>}	112.4290	0.000	1	112.4290	0.000	1	112.4290	0.000	1	112.4290	0.000	1	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:1:	4:3:3:	4:3:3:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]2)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2)(C[6]C[6]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6])(CCO)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]2)(H){1|O<1>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2)(C[6]C[6]C){1|H<1>,3|C<4>,6|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6])(CCO){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	110.8310	0.779	2	110.8310	0.607	2	110.8310	0.607	2	110.8310	0.607	2	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:1:	4:3:4:	4:2:1:	C[5,5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]C)(CCHH)	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(C[6]C[6]C)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]C)(CCHH){1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C[5](C[5,6]C[5,5,6]C[6]H)(O[5]C[5,5])(O){1|C<3>,2|H<1>,3|C<4>}	112.6530	0.000	1	112.6530	0.000	1	112.6530	0.000	1	112.6530	0.000	1	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:1:	4:3:4:	4:4:1:	C[5,5,6]-4:C[6]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,5,6]C[5,5,6]C[5]C)(C[6]C[5,6]C)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]O[5])(CH3)	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5,6]HH)(O)	C[5,6](C[5,5,6]C[5,5,6]C[5]C)(C[6]C[5,6]C)(C[5]C[5]O)(H){1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]O[5])(CH3){1|C<3>,1|O<1>,6|C<4>}	C[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5,6]HH)(O){1|C<3>,1|H<1>,4|C<4>}	101.1770	0.000	1	101.1770	0.000	1	101.1770	0.000	1	109.0300	123.339	2	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:1:	4:3:4:	4:4:1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]O)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C)(CHHO)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]O)(C[6]C[6]C)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C)(CHHO){1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(O){1|C<3>,2|C<4>,3|H<1>}	116.8830	0.000	1	116.8830	0.000	1	116.8830	0.000	1	109.0300	123.339	2	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:1:	4:4:1:	3:4:1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	N[5,5]-3:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]N[5,5]O)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O)	C[5](N[5,5]C[5,5,6]C[5])(C[5,6]C[5,6]C[6]H)(O)	C[5,6](C[5,6]C[5,5,6]HH)(C[5]N[5,5]O)(C[6]C[6]O)(H){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5](N[5,5]C[5,5,6]C[5])(C[5,6]C[5,6]C[6]H)(O){1|O<1>,4|C<4>,4|H<1>}	109.3440	0.000	1	109.3440	0.000	1	109.3440	0.000	1	109.3440	0.000	1	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:1:	4:4:1:	4:2:1:	C[5,6]-4:C[6]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]O)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]C[5]H)(O)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]O)(C[5]O[5]O)(H){1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]C[5]H)(O){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){1|O<1>,2|H<1>,3|C<4>}	110.1715	0.883	2	110.1715	0.780	2	110.1715	0.780	2	110.1715	0.780	2	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:1:	4:4:1:	4:2:4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:N[5]-2:C-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]N[5]C)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CH)(O)	C[5](C[5,6]C[5,6]C[6]H)(N[5]O[5])(CH3)	C[5,6](C[5,6]C[6]O[5]H)(C[5]N[5]C)(C[6]C[6]O)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CH)(O){1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]O[5])(CH3){1|H<1>,1|O<1>,2|C<4>}	111.6370	0.000	1	111.6370	0.000	1	111.6370	0.000	1	111.6370	0.000	1	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:1:	4:4:1:	4:4:3:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[5,6,6]CC)(C[5]C[5]C)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHH)	C[5,6](C[5,6]C[5,6,6]CC)(C[5]C[5]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(O){1|C<3>,1|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHH){1|C<3>,1|O<1>,4|C<4>}	110.4430	0.000	1	110.4430	0.000	1	108.6622	1.475	6	108.6622	1.475	6	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:1:	4:4:1:	4:4:3:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]C)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHH)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	108.6510	0.519	2	108.3060	0.892	5	108.6622	1.475	6	108.6622	1.475	6	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:1:	4:4:1:	4:4:3:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]C)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHH)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]C)(C[6]C[6]O)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]HH)(CHH){1|O<1>,2|H<1>,3|C<4>}	108.0760	1.205	3	108.3060	0.892	5	108.6622	1.475	6	108.6622	1.475	6	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:1:	4:4:3:	4:3:1:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:C[5,6]-3:H-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CHH)	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]H)(C[6]C[6]C)(H){4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CHH){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[6])(H){1|C<3>,1|H<1>,7|C<4>}	116.9520	0.000	1	116.9520	0.000	1	116.9520	0.000	1	116.9520	0.000	1	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:1:	4:4:3:	4:3:3:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]2)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6])(CCO)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]2)(H){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]C){2|H<1>,3|C<4>,6|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C[6])(CCO){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	112.3960	0.000	1	112.3960	0.000	1	112.3960	0.000	1	112.3960	0.000	1	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:2:	3:4:1:	4:3:1:	C[5,6]-4:C[6]-3:C[5]-3:O-2:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)(C[5]C[5]O)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(O)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]H)(O)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)(C[5]C[5]O)(OH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(O){1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]H)(O){1|C<3>,1|O<1>,3|C<4>}	103.3850	0.000	1	103.3850	0.000	1	104.4715	2.361	2	104.4715	2.361	2	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:2:	3:4:1:	4:3:1:	C[5,6]-4:C[6]-3:C[5]-3:O-2:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[5]-3:O-1:	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6a]O)(C[5]C[5]O)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(O)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]H)(O)	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6a]O)(C[5]C[5]O)(OH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(O){1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]H)(O){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	105.5580	0.000	1	105.5580	0.000	1	104.4715	2.361	2	104.4715	2.361	2	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:2:	3:4:1:	4:3:4:	C[6]-4:C[6]-3:C[5]-3:O[5]-2:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[6]C[6a]O[6]O)(C[6]C[6,6a]O)(C[5]C[5]C)(O[5]C[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]H)(CH3)	C[5,6](C[6]C[6a]O[6]O)(C[6]C[6,6a]O)(C[5]C[5]C)(O[5]C[5]){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]O[5])(O){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]H)(CH3){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	110.2340	0.000	1	110.2340	0.000	1	110.2340	0.000	1	110.2340	0.000	1	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:2:	4:3:1:	4:2:1:	C[5,6,6]-4:C[5]-3:C[6]-3:O-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H)(OH)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5])(O)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H)(OH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6,6]C[6]O)(O[5]C[5])(O){1|C<4>,2|C<3>,3|H<1>}	107.3520	0.000	1	107.3520	0.000	1	107.3520	0.000	1	107.3520	0.000	1	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:2:	4:3:1:	4:3:3:	C[5,6]-4:C[5]-3:C[6]-3:O[5]-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]C)(C[6]C[6]H)(O[5]C[5])	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]O)(COO)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]C)(C[6]C[6]H)(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]O)(COO){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	108.2670	0.000	1	108.2670	0.000	1	108.2670	0.000	1	108.2670	0.000	1	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:2:	4:3:4:	4:2:1:	C[5,5,6]-4:C[5]-3:C[6]-3:O-2:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(C[6]C[6]C)(OH)	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H)(CH3)	C[5](C[5,6]C[5,5,6]C[6]O)(O[5]C[5,5,6])(O)	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(C[6]C[6]C)(OH){1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,5,6]C[6]O)(O[5]C[5,5,6])(O){1|H<1>,2|C<3>,3|C<4>}	102.7490	0.000	1	102.7490	0.000	1	102.7490	0.000	1	102.7490	0.000	1	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:2:	4:4:1:	4:2:1:	C[5,6]-4:C[5]-3:C[6]-3:O-2:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(C[6]C[6]O)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(O)	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(C[6]C[6]O)(OH){2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(O[5]C[5])(O){1|O<1>,2|C<4>,3|H<1>}	111.3480	0.000	1	111.3480	0.000	1	111.3480	0.000	1	111.3480	0.000	1	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:2:	4:4:1:	4:3:1:	C[5,5,6]-4:C[5]-3:C[6]-3:O-2:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[5]N[5]O)(C[6]C[6]O)(OH)	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[5,6]HH)(O)	C[5](C[5,6]C[5,5,6]C[6]O)(N[5]C[5,5]H)(O)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[5]N[5]O)(C[6]C[6]O)(OH){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[5,6]HH)(O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|O<2>}	C[5](C[5,6]C[5,5,6]C[6]O)(N[5]C[5,5]H)(O){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	108.8615	0.047	2	108.8615	0.002	2	108.8615	0.002	2	108.8615	0.002	2	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:2:	4:4:1:	4:3:3:	C[5,6]-4:C[5]-3:C[6]-3:C-2:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]O)(CN)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CSiO)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]O)(CN){1|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CSiO){1|O<1>,2|C<4>,3|H<1>}	116.5235	0.541	2	116.5235	0.293	2	116.5235	0.293	2	116.5235	0.293	2	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:2:	4:4:1:	4:4:3:	C[5,6]-4:C[5]-3:C[6]-3:C-2:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]O)(CN)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CSiH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]O)(CN){1|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CSiH){1|O<1>,2|C<4>,3|H<1>}	112.8445	0.334	2	112.8445	0.112	2	112.8445	0.112	2	110.4360	17.459	3	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:2:	4:4:1:	4:4:3:	C[5,6]-4:C[5]-3:C[6]-3:O-2:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]C)(C[6]C[6]O)(OSi)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(O)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,5,6]HO)(CHH)	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]C)(C[6]C[6]O)(OSi){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,5,6]HO)(CHH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	105.6190	0.000	1	105.6190	0.000	1	105.6190	0.000	1	110.4360	17.459	3	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:3:	3:4:1:	3:4:1:	C[6]-4:C[5]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2(C[6]C[6,6a]O){1|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|C<4>,2|H<1>,2|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	106.1090	1.178	2	106.1090	1.388	2	106.1090	1.388	2	106.1090	1.388	2	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:3:	3:4:1:	3:4:3:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5,6]-4:C-3:	C[5,6](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(C[6]C[6,6a]O)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(CHH)	C[5,6](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(C[6]C[6,6a]O)(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){3|H<1>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(CHH){1|O<1>,3|H<1>,5|C<3>}	103.7755	0.757	2	103.7755	0.574	2	103.7755	0.574	2	103.7755	0.574	2	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:3:	4:3:1:	3:4:3:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C-3:	C[5,6](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(C[6]C[6,6a]O)(C[6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(CHH)	C[5,6](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(C[6]C[6,6a]O)(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]H)(H){1|H<1>,1|O<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(CHH){1|O<1>,3|H<1>,5|C<3>}	111.5415	1.421	2	111.5415	2.018	2	111.5415	2.018	2	111.5415	2.018	2	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:3:	4:3:1:	4:2:1:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:N[5]-2:H-1:	C[5,6](C[5]C[6a]N[5]H)(C[5]N[5]H)(C[6]N[6]O)2	C[6](C[5,6]C[5]2C[6])(N[6]C[6]H)(O)	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(H)	C[5,6](C[5]C[6a]N[5]H)(C[5]N[5]H)(C[6]N[6]O)2{2|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]H)(O){1|C<3>,1|N<2>,2|H<1>,2|N<3>,2|O<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(H){1|H<1>,2|C<3>,2|N<3>,2|O<1>}	111.7180	0.810	2	111.7180	0.657	2	111.7180	0.657	2	111.7180	0.657	2	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:3:	4:3:1:	4:2:2:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:N[5]-2:S-2:	C[5,6](C[5]C[5,5]C[6a]H)(C[5]N[5]S)(C[6]N[6]O)2	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5,5])(SS)	C[5,6](C[5]C[5,5]C[6a]H)(C[5]N[5]S)(C[6]N[6]O)2{2|C<4>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|O<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[5,5])(SS){1|H<1>,2|N<3>,2|O<1>,3|C<3>}	112.4770	1.493	4	112.4770	2.229	4	112.4770	2.229	4	112.4770	2.229	4	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:3:	4:3:1:	4:2:3:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:O[5]-2:C-3:	C[5,6](C[5]C[5]HH)(C[5]O[5]C)(C[6]N[6]O)2	C[6](C[5,6]C[5]2C[6])(N[6]C[6]H)(O)	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(CC[6a]C)	C[5,6](C[5]C[5]HH)(C[5]O[5]C)(C[6]N[6]O)2{2|C<3>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>}	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(CC[6a]C){1|C<3>,2|N<3>,2|O<1>,3|H<1>}	111.7632	1.722	4	111.7632	2.964	4	111.7632	2.964	4	111.7632	2.964	4	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:3:	4:3:1:	4:3:1:	C[5,5,6]-4:C[6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[6a]C[6a]2)(C[5]N[5]O)(C[6]N[6]O)	C[6](C[5,6]C[5,5,6]C[6a]C[5])(N[6]C[6]C)(O)	C[5](C[5,6]C[5,5,6]C[6a]C[6])(N[5]C[5,5]S)(O)	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[6a]C[6a]2)(C[5]N[5]O)(C[6]N[6]O){1|N<3>,1|S<4>,2|C<4>,4|C<3>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[6a]C[5])(N[6]C[6]C)(O){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,5,6]C[6a]C[6])(N[5]C[5,5]S)(O){1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	102.4060	0.000	1	102.4060	0.000	1	102.4060	0.000	1	105.7413	5.729	6	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:3:	4:3:1:	4:3:1:	C[5,6]-4:C[6,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[6,6a]2C[5])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[6,6]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6,6]C[6])(N[5]C[5]C)(O)	C[5,6](C[5,6]C[6,6a]2C[5])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,7|C<3>}	C[6](C[5,6]C[5,6]C[6,6]C[5])(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6,6]C[6])(N[5]C[5]C)(O){1|C<2>,1|H<1>,1|O<1>,4|C<3>}	109.0110	0.000	1	109.0110	0.000	1	109.0110	0.000	1	105.7413	5.729	6	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:3:	4:3:1:	4:3:1:	C[5,6]-4:C[6]-3:C[6a]-3:C[5]-3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(C[5]N[5]O)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(O)	C[5](C[5,6]C[5,6]C[6a]C[6])(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(C[5]N[5]O){1|O<1>,3|H<1>,6|C<3>}	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6a]C[6])(N[5]C[5]C)(O){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	104.1310	0.000	1	104.1310	0.000	1	104.1310	0.000	1	105.7413	5.729	6	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:3:	4:3:1:	4:3:1:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5]C[5]HH)(C[5]N[5]O)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(O)	C[5,6](C[5]C[5]HH)(C[5]N[5]O)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(O){1|O<2>,2|C<3>,5|H<1>}	106.4090	0.000	1	106.4090	0.000	1	106.4090	0.000	1	105.7413	5.729	6	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:3:	4:3:1:	4:3:1:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:N[5]-3:S-1:	C[5,6](C[5]C[5,5]C[6a]H)(C[5]N[5]S)(C[6]N[6]O)2	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5,5]H)(S)	C[5,6](C[5]C[5,5]C[6a]H)(C[5]N[5]S)(C[6]N[6]O)2{1|H<1>,2|C<4>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|S<1>,2|N<3>,2|O<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[5,5]H)(S){1|H<1>,2|N<3>,2|O<1>,3|C<3>}	106.2455	1.812	2	106.2455	3.284	2	106.2455	3.284	2	105.7413	5.729	6	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:3:	4:3:1:	4:3:3:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5]N[5]HH)(C[5]C[5]C)(C[6]C[6]H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)(CCO)	C[5,6](C[5]N[5]HH)(C[5]C[5]C)(C[6]C[6]H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)(CCO){1|C<4>,2|C<3>,4|H<1>}	111.3425	1.165	2	108.8392	4.327	6	108.5363	4.205	10	109.2133	6.003	12	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:3:	4:3:1:	4:3:3:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5]N[5]HH)(C[5]C[5]C)(C[6]C[6]H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)(CCO)	C[5,6](C[5]N[5]HH)(C[5]C[5]C)(C[6]C[6]H)2{1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]O)(CCO){1|C<4>,2|C<3>,4|H<1>}	107.5875	0.702	4	108.8392	4.327	6	108.5363	4.205	10	109.2133	6.003	12	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:3:	4:3:1:	4:3:3:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5]O[5]HH)(C[5]C[5]C)(C[6]C[6]H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]O)(CCO)	C[5,6](C[5]O[5]HH)(C[5]C[5]C)(C[6]C[6]H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]O[5]O)(CCO){2|C<3>,4|H<1>}	108.0820	2.224	4	108.0820	4.944	4	108.5363	4.205	10	109.2133	6.003	12	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:3:	4:3:1:	4:3:3:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[6]N[6]O)2	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CC[6a]H)	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[6]N[6]O)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CC[6a]H){1|C<3>,2|N<3>,2|O<1>,3|H<1>}	112.5985	0.827	2	112.5985	0.683	2	112.5985	0.683	2	109.2133	6.003	12	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:3:	4:3:1:	4:4:3:	C[5,6]-4:C[5]-3:C[6]-3:C-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]C)(C[6]C[6]O)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[6a]H)(CHH)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]C)(C[6]C[6]O)(COO){2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[6a]H)(CHH){1|O<1>,3|H<1>,4|C<3>}	107.8220	0.000	1	107.8220	0.000	1	107.8220	0.000	1	110.0569	9.691	8	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:3:	4:3:1:	4:4:3:	C[5,6]-4:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(C[6]N[6]O)2	C[6](C[5,6]C[5,6]C[5]C[6])(N[6]C[6]C)(O)	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]CH)(CCH)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(C[6]N[6]O)2{3|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C[6])(N[6]C[6]C)(O){1|C<3>,1|H<1>,1|N<3>,2|O<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]CH)(CCH){2|C<4>,2|H<1>,2|N<3>,2|O<1>}	107.6125	1.843	2	107.6125	3.398	2	107.6125	3.398	2	110.0569	9.691	8	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:3:	4:3:1:	4:4:3:	C[5,6]-4:C[6a]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]HH)(CCH)	C[5,6](C[5,6]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]C)(C[6]C[6]H){1|C<4>,1|S<4>,3|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]H)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6a]C[6])(C[5]N[5]HH)(CCH){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	111.5990	0.000	1	111.5990	0.000	1	111.5990	0.000	1	110.0569	9.691	8	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:3:	4:3:1:	4:4:3:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[6]C[6]H)2	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CHH)	C[5,6](C[5]C[6a]C[5]H)(C[5]C[5]C)(C[6]C[6]H)2{2|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CHH){3|H<1>,5|C<3>}	111.4522	3.527	4	111.4522	12.443	4	111.4522	12.443	4	110.0569	9.691	8	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:3:	4:3:2:	4:3:1:	C[5]-4:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5]C[5]HH)(C[5]N[5]O)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(OC)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(O)	C[5,6](C[5]C[5]HH)(C[5]N[5]O)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(OC){1|C<3>,1|C<4>,1|N<3>,2|O<1>,3|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(O){1|O<2>,2|C<3>,5|H<1>}	109.4930	0.000	1	109.4930	0.000	1	109.4930	0.000	1	109.4930	0.000	1	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:3:	4:3:3:	3:4:1:	C[6]-4:C[5]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2(C[6]C[6]C)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5,6a]O)2(C[6]C[6]C){1|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(COO){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	111.5775	1.477	4	111.5775	2.182	4	111.5775	2.182	4	112.2066	1.505	8	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:3:	4:3:3:	3:4:1:	C[6]-4:C[6]-3:C[5]-3:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(C[5]C[5,6a]O)2	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(C[5]C[5,6a]O)2{1|C<4>,2|H<1>,7|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,3|H<1>,3|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	112.4815	0.042	2	112.8357	0.274	4	112.8357	0.274	4	112.2066	1.505	8	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:3:	4:3:3:	3:4:1:	C[6]-4:C[6]-3:C[5]-3:C[5]-3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(C[5]C[5,6a]O)2	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(C[5]C[5,6a]O)2{3|H<1>,7|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,3|H<1>,3|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	113.1900	0.564	2	112.8357	0.274	4	112.8357	0.274	4	112.2066	1.505	8	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:3:	4:3:3:	4:3:3:	C[5,6]-4:C[5]-3:C[6]-3:C-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]C)(C[6]C[6]C)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(COO)	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]C)(COO)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]C)(C[6]C[6]C)(COO){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(COO){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]C)(COO){1|C<4>,1|H<1>,3|C<3>}	115.3920	0.000	1	115.3920	0.000	1	115.3920	0.000	1	115.3920	0.000	1	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:3:	4:4:1:	4:2:4:	C[6]-4:C[5]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:N[5]-2:C-4:	C[5,6](C[6]C[6a]C[6]H)(C[5]N[5]C)(C[5]N[5]O)(C[6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(O)	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3)	C[5,6](C[6]C[6a]C[6]H)(C[5]N[5]C)(C[5]N[5]O)(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(O){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]N[5])(CH3){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	111.4425	2.433	2	111.4425	5.920	2	111.4425	5.920	2	111.4425	5.920	2	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:3:	4:4:1:	4:3:1:	C[6]-4:C[5]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6a]C[6]H)(C[5]N[5]C)(C[5]N[5]O)(C[6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(O)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O)	C[5,6](C[6]C[6a]C[6]H)(C[5]N[5]C)(C[5]N[5]O)(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(O){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]N[5])(O){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	106.9070	5.976	2	106.9070	35.718	2	106.9070	35.718	2	106.9070	35.718	2	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:4:	3:4:1:	3:4:1:	C[5,6,6]-4:C[5]-3:C[6]-3:C-4:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5]C[5,6a]O)(C[6]C[6,6a]O)(CH3)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]C)(O)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6]C)(O)	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5]C[5,6a]O)(C[6]C[6,6a]O)(CH3){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]C)(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6]C)(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	104.5975	0.029	2	104.5975	0.001	2	104.5975	0.001	2	104.5975	0.001	2	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:4:	3:4:2:	3:4:1:	C[5,6,6]-4:C[5]-3:C[6]-3:C-4:	C[6,6a]-3:C[5,6]-4:C-2:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5]C[5,6a]O)(C[6]C[6,6a]C)(CH3)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]C)(CC)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6]C)(O)	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5]C[5,6a]O)(C[6]C[6,6a]C)(CH3){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]C)(CC){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6]C)(O){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	104.9900	1.245	2	104.9900	1.549	2	104.9900	1.549	2	104.9900	1.549	2	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:4:	4:3:1:	4:2:1:	C[5,6,6]-4:C[5]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]O)(C[6]C[6]H)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]O)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O){1|C<4>,2|C<3>,3|H<1>}	114.3800	0.000	1	114.3800	0.000	1	114.3800	0.000	1	114.3800	0.000	1	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:4:	4:3:1:	4:3:1:	C[5,6,6]-4:C[6]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6]-3:O-1:	C[5,6]-4:C[5]-3:O-1:	C[5,6](C[5,6,6]O[6,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[5,6]C[5,6,6]C[5])(O)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5]H)(O)	C[5,6](C[5,6,6]O[6,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]O)(CH3){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[5,6]C[5,6,6]C[5])(O){1|O<1>,1|O<2>,2|C<3>,5|C<4>}	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5]H)(O){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	111.5980	0.000	1	111.5980	0.000	1	111.5980	0.000	1	111.5980	0.000	1	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:4:	4:3:1:	4:3:4:	C[5,6]-4:C[5]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[3,6,6]C[5]C)(C[5]C[5]C)(C[6]C[6]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCCO)	C[5,6](C[5,6]C[3,6,6]C[5]C)(C[5]C[5]C)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(O){1|C<3>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCCO){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	123.9690	0.000	1	123.9690	0.000	1	123.9690	0.000	1	123.9690	0.000	1	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:4:	4:3:1:	4:4:3:	C[5,6]-4:C[5]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]O)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]O)(CCHH){1|C<3>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(O){1|C<3>,1|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	109.0885	0.120	2	109.0885	0.014	2	109.0885	0.014	2	109.0885	0.014	2	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:4:	4:3:3:	4:4:1:	C[5,6]-4:C[6]-3:C[5]-3:C-4:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]O)(CH3){1|C<4>,4|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|C<4>,2|C<3>,3|H<1>}	109.3390	0.000	1	109.3390	0.000	1	109.3390	0.000	1	109.3390	0.000	1	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:4:	4:3:4:	4:3:1:	C[5,6]-4:C[5]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CH3)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C[6])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C[6])(O){2|C<4>,2|H<1>,4|C<3>}	104.5505	1.363	2	105.1280	1.929	3	105.1280	1.929	3	105.1280	1.929	3	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:4:	4:3:4:	4:3:1:	C[5,6]-4:C[5]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CH3)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C[6])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O)(C[6]C[6]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C[6])(O){2|C<4>,2|H<1>,4|C<3>}	106.2830	0.000	1	105.1280	1.929	3	105.1280	1.929	3	105.1280	1.929	3	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:4:	4:4:1:	4:2:1:	C[5,6,6]-4:C[5]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]O)(C[6]C[6]O)(CH3)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(O)	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]O)(C[6]C[6]O)(CH3){3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(O){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O){1|O<1>,2|H<1>,3|C<4>}	111.8400	0.000	1	111.8400	0.000	1	111.8400	0.000	1	113.9960	3.486	3	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:4:	4:4:1:	4:2:1:	C[5,6]-4:C[5]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(C[6]C[6]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(O)	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(O)	C[5,6](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(C[6]C[6]O)(CH3){1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(O){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(O){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	115.0740	0.000	2	115.0740	0.000	2	115.0740	0.000	2	113.9960	3.486	3	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:4:	4:4:1:	4:3:3:	C[5,6]-4:C[6]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)(C[5]C[5]C)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CIS)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)(C[5]C[5]C)(CH3){1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(O){2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CIS){1|O<1>,2|C<4>,3|H<1>}	115.2570	0.000	1	115.2570	0.000	1	115.2570	0.000	1	115.2570	0.000	1	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:4:	4:4:1:	4:4:3:	C[5,6]-4:C[6]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)(C[5]C[5]C)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CIS)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)(C[5]C[5]C)(CH3){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(O){1|C<3>,2|H<1>,5|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CIS){1|O<1>,2|C<4>,3|H<1>}	114.7740	0.000	1	114.7740	0.000	1	114.7740	0.000	1	114.7740	0.000	1	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:3:4:	4:4:3:	4:3:1:	C[5,6]-4:C[5]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]O)(C[6]C[6]C)(CC[6a]HO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CHH)	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]O)(C[6]C[6]C)(CC[6a]HO){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CHH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]C)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	109.3850	0.395	2	109.3850	0.156	2	109.3850	0.156	2	109.3850	0.156	2	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:4:3:	3:4:1:	4:2:2:	C[5]-4:C[6]-3:C[6]-4:C[5]-3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:S[5]-2:N-2:	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(C[5]S[5]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O)	C[5](C[5,6]C[5]C[6]2)(S[5]C[5])(NC[6a])	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(C[5]S[5]N){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(O){1|C<4>,1|N<2>,1|S<2>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(S[5]C[5])(NC[6a]){1|C<4>,1|N<2>,1|O<1>,2|C<3>,3|H<1>}	109.4300	1.003	2	109.4300	1.005	2	109.4300	1.005	2	109.4300	1.005	2	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:4:3:	3:4:1:	4:3:1:	C[6]-4:C[6]-3:C[5]-4:C[5]-3:	N[6,6]-3:C[5,6]-4:O-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6a]C[6]H)(C[6]N[6,6]O)(C[5]C[5]HH)(C[5]N[5]O)	C[6](N[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(O)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(O)	C[5,6](C[6]C[6a]C[6]H)(C[6]N[6,6]O)(C[5]C[5]HH)(C[5]N[5]O){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(O){1|N<3>,1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	105.1370	1.502	2	105.1370	2.256	2	105.1370	2.256	2	105.1370	2.256	2	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:4:3:	3:4:1:	4:4:1:	C[6]-4:C[6]-3:C[5]-4:C[5]-3:	C[5a,6]-3:C[5,6]-4:O-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[6]C[6a]N[6]H)(C[6]C[5a,6]O)(C[5]C[5]HH)(C[5]C[5]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5]2C[6])(O)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O)	C[5,6](C[6]C[6a]N[6]H)(C[6]C[5a,6]O)(C[5]C[5]HH)(C[5]C[5]O){2|C<4>,3|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5]2C[6])(O){1|C<3>,1|N<2>,1|O<1>,2|N<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	107.4790	0.000	1	107.4790	0.000	1	107.4790	0.000	1	107.4790	0.000	1	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:3:4:3:	4:3:1:	3:4:1:	C[5]-4:C[5]-3:C[6]-4:C[6]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O)	C[5,6](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(O){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	109.3640	0.000	1	109.3640	0.000	1	109.3640	0.000	1	109.3640	0.000	1	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:4:3:3:	4:2:1:	4:3:1:	C[5,6]-4:C[5]-4:C[5]-3:C[6]-3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]2H)(C[5]C[5]O)(C[6]O[6]O)	C[6](C[5,6]C[5,6]C[5]2)(O[6]C[6])(O)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]H)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]2H)(C[5]C[5]O)(C[6]O[6]O){1|C<3>,1|O<1>,3|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]2)(O[6]C[6])(O){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]H)(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	110.0900	0.000	1	110.0900	0.000	1	110.0900	0.000	1	110.0900	0.000	1	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:4:3:3:	4:2:1:	4:4:1:	C[6]-4:C[5]-4:C[5]-3:C[6]-3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[6]C[6,6a]CH)(C[5]C[5]HH)(C[5]C[5]O)(C[6]O[6]O)	C[6](C[5,6]C[5]2C[6])(O[6]C[6,6a])(O)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O)	C[5,6](C[6]C[6,6a]CH)(C[5]C[5]HH)(C[5]C[5]O)(C[6]O[6]O){2|C<3>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(O[6]C[6,6a])(O){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	108.4050	0.000	1	108.4050	0.000	1	108.4050	0.000	1	108.4050	0.000	1	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:1:	4:2:1:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HO)(C[5]O[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(O)	C[5,6](C[5]C[5]HH)(C[6]C[6]HO)(C[5]O[5]O)(C[6]C[6]H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|O<1>,2|C<4>,2|O<2>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(O){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	112.2837	0.454	3	112.2837	0.206	3	112.2837	0.206	3	112.2837	0.206	3	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:O-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]O[6]O)(C[5]C[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]H)(H)	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]C)(O)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]O[6]O)(C[5]C[5]O)(C[6]C[6]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]2)(C[5]C[5,6]C)(O){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	101.5650	0.000	1	101.5650	0.000	1	101.5650	0.000	1	106.3346	8.592	8	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:1:	4:3:1:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5]C[5]CO)(C[6]C[6]HH)(C[5]C[5]H)(C[6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)(H)	C[5,6](C[5]C[5]CO)(C[6]C[6]HH)(C[5]C[5]H)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	105.4710	0.000	1	105.4710	0.000	1	105.4710	0.000	1	106.3346	8.592	8	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:1:	4:3:1:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[5]N[5]O)(C[6]N[6]O)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(O)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[5]N[5]O)(C[6]N[6]O){1|S<4>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	103.0360	0.000	1	103.0360	0.000	1	106.6980	7.280	4	106.3346	8.592	8	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:1:	4:3:1:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[5]N[5]O)(C[6]N[6]O)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]H)(O)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[5]N[5]O)(C[6]N[6]O){3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]H)(O){1|C<4>,1|N<3>,1|O<1>,6|H<1>}	107.9187	1.407	3	107.9187	1.980	3	106.6980	7.280	4	106.3346	8.592	8	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:1:	4:3:1:	C[6,6]-4:C[5]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5]-3:O-1:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)(C[6]C[6]O)	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]C)(O)	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]C)(O)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)(C[6]C[6]O){2|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]C)(O){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(C[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	106.7590	0.000	1	106.7590	0.000	1	106.7590	0.000	1	106.3346	8.592	8	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:1:	4:3:1:	C[6]-4:C[5]-4:C[5]-3:C[6]-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5]HH)(C[5]N[5]O)(C[6]N[6]O)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(O)	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5]HH)(C[5]N[5]O)(C[6]N[6]O){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	110.0900	0.000	1	110.0900	0.000	1	110.0900	0.000	1	106.3346	8.592	8	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:1:	4:4:1:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CO)(C[5]C[5]O)(C[6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O)	C[5,6](C[5]C[5]HH)(C[6]C[6]CO)(C[5]C[5]O)(C[6]C[6]H){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	106.7480	0.000	2	106.7480	0.000	2	106.7480	0.000	2	107.2580	3.997	6	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:1:	4:4:1:	C[6]-4:C[5]-4:C[5]-3:C[6]-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)(C[6]N[6]O)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]S)(O)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O)	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)(C[6]N[6]O){1|C<3>,1|C<4>,1|O<2>,1|S<4>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]S)(O){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	106.9310	0.000	1	105.5960	3.564	2	107.5130	6.401	4	107.2580	3.997	6	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:1:	4:4:1:	C[6]-4:C[5]-4:C[5]-3:C[6]-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)(C[6]N[6]O)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]S)(O)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O)	C[5,6](C[6]C[5a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)(C[6]N[6]O){1|C<3>,1|C<4>,1|O<2>,1|S<4>,6|H<1>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6]S)(O){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	104.2610	0.000	1	105.5960	3.564	2	107.5130	6.401	4	107.2580	3.997	6	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:1:	4:4:1:	C[6]-4:C[5]-4:C[5]-3:C[6]-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)(C[6]N[6]O)	C[6](C[5,6]C[5]2C[6])(N[6]C[6a]C[6])(O)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O)	C[5,6](C[6]C[6a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)(C[6]N[6]O){2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(N[6]C[6a]C[6])(O){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	109.4300	0.969	2	109.4300	0.938	2	107.5130	6.401	4	107.2580	3.997	6	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:1:	4:4:3:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]C)(C[6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CC[6a]Cl)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[5]C[5]C)(C[6]C[6]H){1|C<4>,7|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CC[6a]Cl){1|C<3>,1|C<4>,7|H<1>}	113.3670	0.443	2	113.3670	0.196	2	113.7402	0.531	5	113.7402	0.531	5	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:1:	4:4:3:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5]N[5]HH)(C[6]C[6]HH)(C[5]C[5]C)(C[6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(CC[6a]Cl)	C[5,6](C[5]N[5]HH)(C[6]C[6]HH)(C[5]C[5]C)(C[6]C[6]H){1|C<4>,1|S<4>,5|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(CC[6a]Cl){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	114.4065	0.647	2	114.4065	0.419	2	113.7402	0.531	5	113.7402	0.531	5	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:1:	4:4:3:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5]N[5]HH)(C[6]C[6]HH)(C[5]C[5]C)(C[6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(CC[6a]F)	C[5,6](C[5]N[5]HH)(C[6]C[6]HH)(C[5]C[5]C)(C[6]C[6]H){1|C<4>,1|S<4>,5|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(CC[6a]F){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	113.1540	0.000	1	113.1540	0.000	1	113.7402	0.531	5	113.7402	0.531	5	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:4:3:3:	4:3:3:	4:3:1:	C[6]-4:C[5]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:N-3:	C[5,6]-4:C[5]-3:O-1:	C[5,6](C[6]C[6a]C[6]H)(C[5]S[5]HH)(C[5]C[5]O)(C[6]C[6]N)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(NHH)	C[5](C[5,6]C[5]C[6]2)(C[5]S[5]C)(O)	C[5,6](C[6]C[6a]C[6]H)(C[5]S[5]HH)(C[5]C[5]O)(C[6]C[6]N){1|C<2>,1|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(NHH){1|O<1>,1|S<2>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[5]S[5]C)(O){1|N<3>,3|C<3>,3|H<1>}	112.5610	0.000	1	112.5610	0.000	1	112.5610	0.000	1	112.5610	0.000	1	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:1:	4:3:1:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[5]N[5]O)(C[6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(O)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(O)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[5]N[5]O)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(O){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(O){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	106.1530	0.000	1	106.1530	0.000	1	106.1530	0.000	1	106.1530	0.000	1	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	4:4:3:3:	4:4:1:	4:3:3:	C[5]-4:C[6]-4:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:N[5]-3:C-3:	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[5]N[5]C)(C[6]C[6]O)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(O)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(CC[6a]H)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[5]N[5]C)(C[6]C[6]O){1|S<4>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(O){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(CC[6a]H){1|O<1>,2|C<4>,6|H<1>}	110.0890	0.000	1	110.0890	0.000	1	110.0890	0.000	1	110.0890	0.000	1	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5,6]	C[6]	C[5]	6:3:3:3:	4:3:1:	4:3:4:	C[5x3,6x5,20x6]-6:C[5]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]C)(C[6]C[6]H)2	C[6](C[5,6]C[5x3,6x5,20x6]C[5]C[6])(C[6]C[6]H)(H)	C[5](C[5,6]C[5x3,6x5,20x6]C[6]2)(C[5]C[5x3,6x5,20x6]H)(CCHH)	C[5,6](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]C)(C[6]C[6]H)2{1|C<4>,5|B<6>,7|H<1>}	C[6](C[5,6]C[5x3,6x5,20x6]C[5]C[6])(C[6]C[6]H)(H){1|C<6>,2|C<3>,2|C<4>,2|H<1>,4|B<6>}	C[5](C[5,6]C[5x3,6x5,20x6]C[6]2)(C[5]C[5x3,6x5,20x6]H)(CCHH){2|C<3>,2|H<1>,6|B<6>}	110.7368	0.623	4	110.7368	0.388	4	110.7368	0.388	4	110.7368	0.388	4	109.8561	9.852	517	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5]	C[6]	C[5,6]	3:4:3:1:	4:3:3:	3:4:3:	C[5,6]-3:P[5]-4:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5](C[5,6]C[5,6]C[6])(P[5]C[5]C[6]Pd)(C[6]C[6]N[6])(H)	C[6](C[5]C[5,6]P[5]H)(N[6]C[6]Pd)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5]H)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(P[5]C[5]C[6]Pd)(C[6]C[6]N[6])(H){3|C<3>,3|H<1>,4|C<4>}	C[6](C[5]C[5,6]P[5]H)(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5]H)(C[6]C[6]H){1|Pd<4>,1|N<3>,2|C<3>,2|C<4>,4|H<1>}	114.3120	0.000	1	114.3120	0.000	1	114.8475	0.574	2	114.8475	0.574	2	114.8475	0.574	2	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5]	C[6]	C[5,6]	3:4:3:1:	4:3:3:	3:4:3:	C[5,6]-3:P[5]-4:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Pd)(C[6]C[6]N[6])(H)	C[6](C[5]C[5,6]P[5]H)(N[6]C[6]Pd)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5]H)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Pd)(C[6]C[6]N[6])(H){2|C<4>,2|H<1>,5|C<3>}	C[6](C[5]C[5,6]P[5]H)(N[6]C[6]Pd)(C[6]C[6]H){2|H<1>,5|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[6]P[5]H)(C[6]C[6]H){1|Pd<4>,1|C<4>,1|N<3>,3|C<3>,4|H<1>}	115.3830	0.000	1	115.3830	0.000	1	114.8475	0.574	2	114.8475	0.574	2	114.8475	0.574	2	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:1:	4:3:4:	3:4:1:	C[5,6a]-3:C[6]-3:C[5]-3:H-1:	C[5]-4:C[5,6]-3:C[6]-4:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[6]C[5,6]C[6])(C[5]C[5,6a]O)(H)	C[6](C[5]C[5,6a]C[5]H)(C[5,6]N[5,6]C[5])(C[6]C[6]HH)	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C[6]H)(O)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[6]C[5,6]C[6])(C[5]C[5,6a]O)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5]C[5,6a]C[5]H)(C[5,6]N[5,6]C[5])(C[6]C[6]HH){1|O<1>,1|S<4>,3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C[6]H)(O){1|C<4>,5|C<3>}	115.8350	0.000	1	115.8350	0.000	1	115.8350	0.000	1	115.8350	0.000	1	112.6649	6.940	25	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6]-3:O-2:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2)(OH)	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]H)(C[6]C[6]O)	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2)(OH){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]C)(O){4|C<3>}	109.4730	0.000	1	109.4730	0.000	1	111.1640	5.719	2	111.1640	5.719	2	112.6649	6.940	25	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:2:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6]-3:O-2:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2)(OH)	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]O)2	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]O)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[6]O)(N[5]C[5,6a]C)(O){4|C<3>}	112.8550	0.000	1	112.8550	0.000	1	111.1640	5.719	2	111.1640	5.719	2	112.6649	6.940	25	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[6]-3:C[5]-3:O-2:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]C)(OIr)	C[6](C[5]C[5,6a]C[5]O)(N[6]C[6]Ir)(C[6]C[6]H)	C[5](C[5]C[5,6a]C[6]O)(C[5]C[5,6a]C[6a])(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]C)(OIr){2|H<1>,5|C<3>}	C[6](C[5]C[5,6a]C[5]O)(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6]O)(C[5]C[5,6a]C[6a])(CC[6a]O){1|N<3>,5|C<3>}	107.6460	0.000	1	107.6460	0.000	1	107.6460	0.000	1	107.6460	0.000	1	112.6649	6.940	25	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:2:	4:3:3:	4:3:4:	C[6]-3:N[5]-3:C[5]-3:O-2:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:C[5]-3:C-4:	C[5](C[6]C[6]N[6])(N[5]C[5]Pt)(C[5]C[5]C)(OO)	C[6](C[5]C[5]N[5]O)(N[6]C[6]Pt)(C[6]C[6]H)	C[5](C[5]C[6]N[5]O)(C[5]C[5]H)(CC3)	C[5](C[6]C[6]N[6])(N[5]C[5]Pt)(C[5]C[5]C)(OO){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5]C[5]N[5]O)(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[6]N[5]O)(C[5]C[5]H)(CC3){1|Pt<6>,1|C<3>,1|C<4>,1|N<3>}	114.8780	0.583	2	114.8780	0.339	2	114.8780	0.339	2	114.8780	0.339	2	112.6649	6.940	25	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:3:	4:3:2:	4:3:1:	C[6a]-3:C[5]-3:C[6]-3:N[5]-3:	C[5]-4:C[6]-3:C[6]-2:	C[5]-4:N[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(C[6]C[6]2)(N[5]S[5]H)	C[6](C[5]C[6a]C[5]N[5])(C[6]C[6]H)(C[6]C[6])	C[5](C[5]C[6a]C[6]N[5])(N[5]S[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(C[6]C[6]2)(N[5]S[5]H){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[6](C[5]C[6a]C[5]N[5])(C[6]C[6]H)(C[6]C[6]){1|N<3>,1|O<1>,1|S<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[6]N[5])(N[5]S[5]C)(O){1|C<2>,1|H<1>,2|O<1>,3|C<3>}	106.0310	0.000	1	106.0310	0.000	1	106.0310	0.000	1	106.0310	0.000	1	112.6649	6.940	25	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:C[6]-3:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(C[6]C[6]2)	C[6](C[5]C[5,6a]C[5a]C[5])(C[6]C[6]N)(C[6]C[6]O)	C[5](C[5]C[5,6a]C[5a]C[6])(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(C[6]C[6]2){1|O<1>,2|H<1>,2|N<3>,3|C<4>,4|C<3>}	C[6](C[5]C[5,6a]C[5a]C[5])(C[6]C[6]N)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6a]C[5a]C[6])(N[5]C[5,6a]C)(O){6|C<3>}	109.5470	0.027	2	109.5470	0.001	2	109.5470	0.001	2	109.6003	0.009	3	112.6649	6.940	25	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:N[5a]-3:C[5]-3:C[6]-3:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(C[6]C[6]2)	C[6](C[5]C[5,6a]N[5a]C[5])(C[6]C[6]H)2	C[5](C[5]C[5,6a]N[5a]C[6])(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(C[6]C[6]2){1|C<2>,1|N<2>,4|C<3>,5|H<1>}	C[6](C[5]C[5,6a]N[5a]C[5])(C[6]C[6]H)2{1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]N[5a]C[6])(N[5]C[5,6a]H)(O){1|N<2>,5|C<3>}	109.7070	0.000	1	109.7070	0.000	1	109.7070	0.000	1	109.6003	0.009	3	112.6649	6.940	25	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:4:	4:3:3:	4:2:1:	C[5,6a]-3:C[5]-3:C[6]-3:C-4:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(C[6]C[6]2)(CC[6a]HH)	C[6](C[5]C[5,6a]C[5]C)(C[6]C[6,6a]O)(C[6]C[6]H)	C[5](C[5]C[5,6a]C[6]C)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(C[6]C[6]2)(CC[6a]HH){1|O<1>,2|H<1>,4|C<3>}	C[6](C[5]C[5,6a]C[5]C)(C[6]C[6,6a]O)(C[6]C[6]H){1|O<2>,2|O<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6]C)(O[5]C[5,6a])(O){4|C<3>}	112.2340	0.721	3	112.2340	0.520	3	112.2340	0.520	3	112.2340	0.520	3	112.6649	6.940	25	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5]	C[6]	C[5]	3:3:3:4:	4:3:3:	4:3:1:	C[6]-3:N[5]-3:C[5]-3:C-4:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:N[5]-3:O-1:	C[5](C[6]C[6]N[6])(N[5]C[5]Pt)(C[5]N[5]O)(CH3)	C[6](C[5]C[5]N[5]C)(N[6]C[6]Pt)(C[6]C[6]H)	C[5](C[5]C[6]N[5]C)(N[5]C[5]H)(O)	C[5](C[6]C[6]N[6])(N[5]C[5]Pt)(C[5]N[5]O)(CH3){1|O<1>,2|C<3>,2|H<1>}	C[6](C[5]C[5]N[5]C)(N[6]C[6]Pt)(C[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[6]N[5]C)(N[5]C[5]H)(O){1|Pt<4>,1|C<3>,1|N<3>,1|O<1>}	112.6590	1.561	2	112.6590	2.438	2	112.6590	2.438	2	112.6590	2.438	2	112.6649	6.940	25	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5]	C[6]	C[5]	4:3:3:1:	4:3:3:	4:3:1:	C[5]-4:C[5]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]HN)(C[5]C[5]O)(C[6]C[6]2)(H)	C[6](C[5]C[5]2H)(C[6]N[6]O)2	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(O)	C[5](C[5]C[5]HN)(C[5]C[5]O)(C[6]C[6]2)(H){2|H<1>,2|N<3>,2|O<1>}	C[6](C[5]C[5]2H)(C[6]N[6]O)2{1|H<1>,1|N<4>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(O){1|N<4>,2|C<3>,2|H<1>}	113.8833	0.538	3	113.8833	0.289	3	114.2444	0.380	8	114.2444	0.380	8	112.6649	6.940	25	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5]	C[6]	C[5]	4:3:3:1:	4:3:3:	4:3:1:	C[5]-4:C[5]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]N[5]H)(C[5]C[5]O)(C[6]C[6]2)(H)	C[6](C[5]C[5]2H)(C[6]O[6]O)2	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(O)	C[5](C[5]C[5]N[5]H)(C[5]C[5]O)(C[6]C[6]2)(H){2|C<4>,2|O<1>,2|O<2>,3|H<1>}	C[6](C[5]C[5]2H)(C[6]O[6]O)2{1|C<4>,1|H<1>,1|N<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(O){1|N<4>,2|C<3>,2|H<1>}	114.1400	0.000	1	114.1400	0.000	1	114.2444	0.380	8	114.2444	0.380	8	112.6649	6.940	25	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5]	C[6]	C[5]	4:3:3:1:	4:3:3:	4:3:1:	C[5]-4:C[5]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]N[6]H)(C[5]C[5]O)(C[6]C[6]2)(H)	C[6](C[5]C[5]2H)(C[6]O[6]O)2	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(O)	C[5](C[5]C[5]N[6]H)(C[5]C[5]O)(C[6]C[6]2)(H){2|C<4>,2|H<1>,2|O<1>,2|O<2>}	C[6](C[5]C[5]2H)(C[6]O[6]O)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(O){1|N<3>,2|C<3>,2|H<1>}	114.7955	0.074	2	114.5412	0.441	4	114.2444	0.380	8	114.2444	0.380	8	112.6649	6.940	25	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5]	C[6]	C[5]	4:3:3:1:	4:3:3:	4:3:1:	C[5]-4:C[5]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]N[6]H)(C[5]C[5]O)(C[6]C[6]2)(H)	C[6](C[5]C[5]2H)(C[6]O[6]O)2	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(O)	C[5](C[5]C[5]N[6]H)(C[5]C[5]O)(C[6]C[6]2)(H){2|C<4>,2|O<1>,2|O<2>,3|H<1>}	C[6](C[5]C[5]2H)(C[6]O[6]O)2{1|C<4>,1|H<1>,1|N<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(O){1|N<4>,2|C<3>,2|H<1>}	114.2870	1.030	2	114.5412	0.441	4	114.2444	0.380	8	114.2444	0.380	8	112.6649	6.940	25	110.1473	11.167	673
474	762	818	0:SP3_SP2_SP2	C[5]	C[6]	C[5]	4:3:3:1:	4:4:3:	4:2:1:	C[5,5]-4:C[5]-3:C[6]-3:H-1:	C[5]-4:C[6]-4:C[6]-3:	C[5]-4:O[5]-2:O-1:	C[5](C[5,5]C[3,5]C[5,5]H)(C[5]O[5]O)(C[6]C[6]2)(H)	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]HH)(C[6]C[6]C)	C[5](C[5]C[5,5]C[6]H)(O[5]C[5,5])(O)	C[5](C[5,5]C[3,5]C[5,5]H)(C[5]O[5]O)(C[6]C[6]2)(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]HH)(C[6]C[6]C){1|C<3>,1|O<2>,2|H<1>,2|O<1>,3|C<4>}	C[5](C[5]C[5,5]C[6]H)(O[5]C[5,5])(O){1|C<3>,2|H<1>,3|C<4>}	115.1250	0.000	2	115.1250	0.000	2	115.1250	0.000	2	115.1250	0.000	2	112.6649	6.940	25	110.1473	11.167	673
474	762	818	6:SP3_SP2_SP2	C[5,3x6]	C[3x6]	C[5,6,6]	3:3:3:4:	4:3:3:	4:3:3:	C[6,6,6a]-3:C[5,6,6]-3:C[3x6]-3:C[5]-4:	C[5,3x6]-4:C[3x6]-3:C[6]-3:	C[5,3x6]-4:C[6,6]-3:C[5]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5])(C[3x6]C[3x6]C[6])(C[5]O[5]HH)	C[3x6](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[3x6]C[3x6]C[6])(C[6]C[6]H)	C[5,6,6](C[5,3x6]C[6,6,6a]C[3x6]C[5])(C[6,6]C[3x6]C)(C[5]O[5]O)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5])(C[3x6]C[3x6]C[6])(C[5]O[5]HH){1|C<2>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[3x6](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[3x6]C[3x6]C[6])(C[6]C[6]H){1|O<2>,4|H<1>,5|C<3>}	C[5,6,6](C[5,3x6]C[6,6,6a]C[3x6]C[5])(C[6,6]C[3x6]C)(C[5]O[5]O){3|H<1>,4|C<3>}	104.5350	0.000	1	104.5350	0.000	1	104.5350	0.000	1	104.5350	0.000	1	104.5350	0.000	1	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,3x6]	C[6,6]	C[5,6,6]	3:3:3:2:	4:3:3:	4:4:3:	C[5,6,6]-3:C[6,6]-3:C[6,6]-3:O[5]-2:	C[5,3x6]-4:C[6,6]-3:C-3:	C[5,3x6]-4:C[6,6]-4:C[5]-3:	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]C)2(O[5]C[5])	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]H)(CHO)	C[5,6,6](C[5,3x6]C[6,6]2O[5])(C[6,6]C[3x6]HH)(C[5]C[5]H)	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]C)2(O[5]C[5]){1|C<4>,7|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]H)(CHO){2|C<3>,4|C<4>}	C[5,6,6](C[5,3x6]C[6,6]2O[5])(C[6,6]C[3x6]HH)(C[5]C[5]H){2|C<4>,2|H<1>,3|C<3>}	104.3690	0.000	1	104.3690	0.000	1	104.3690	0.000	1	104.3690	0.000	1	105.3767	3.067	11	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,3x6]	C[6,6]	C[5,6,6]	3:3:3:2:	4:3:4:	4:4:3:	C[5,6,6]-3:C[6,6]-3:C[6,6]-3:O[5]-2:	C[5,3x6]-4:C[6,6]-3:C-4:	C[5,3x6]-4:C[6,6]-4:C[5]-3:	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]C)2(O[5]C[5])	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]H)(CC3)	C[5,6,6](C[5,3x6]C[6,6]2O[5])(C[6,6]C[3x6]HH)(C[5]C[5]H)	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]C)2(O[5]C[5]){1|C<4>,7|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]H)(CC3){3|C<3>,3|C<4>}	C[5,6,6](C[5,3x6]C[6,6]2O[5])(C[6,6]C[3x6]HH)(C[5]C[5]H){2|C<4>,2|H<1>,3|C<3>}	106.2730	0.000	1	106.2730	0.000	1	106.2730	0.000	1	106.2730	0.000	1	105.3767	3.067	11	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,3x6]	C[6,6]	C[5,6,6]	3:3:3:3:	4:3:1:	4:3:3:	C[6,6,6a]-3:C[5,6,6]-3:C[6,6]-3:Se[5]-3:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-3:C[5]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]H)(Se[5]C[5]O)	C[6,6](C[5,3x6]C[6,6,6a]C[5,6,6]Se[5])(C[6,6]C[3x6]H)(H)	C[5,6,6](C[5,3x6]C[6,6,6a]C[6,6]Se[5])(C[6,6]C[3x6]C[6a])(C[5]C[5]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]H)(Se[5]C[5]O){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[5,3x6]C[6,6,6a]C[5,6,6]Se[5])(C[6,6]C[3x6]H)(H){1|H<1>,1|O<1>,5|C<3>}	C[5,6,6](C[5,3x6]C[6,6,6a]C[6,6]Se[5])(C[6,6]C[3x6]C[6a])(C[5]C[5]H){1|O<1>,2|H<1>,6|C<3>}	108.4730	0.000	1	108.4730	0.000	1	108.4730	0.000	1	108.4730	0.000	1	105.3767	3.067	11	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,3x6]	C[6,6]	C[5,6,6]	3:3:3:3:	4:3:1:	4:4:3:	C[5,6,6]-3:C[6,6]-3:C[6,6]-3:N[5]-3:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]H)2(N[5]C[5]C)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]N[5])(C[6,6]C[3x6]H)(H)	C[5,6,6](C[5,3x6]C[6,6]2N[5])(C[6,6]C[3x6]HH)(C[5]C[5]C)	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]H)2(N[5]C[5]C){1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[6,6]N[5])(C[6,6]C[3x6]H)(H){2|C<4>,2|H<1>,3|C<3>}	C[5,6,6](C[5,3x6]C[6,6]2N[5])(C[6,6]C[3x6]HH)(C[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	104.1625	0.903	2	104.1625	0.815	2	104.1625	0.815	2	104.1625	0.815	2	105.3767	3.067	11	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,3x6]	C[6,6]	C[5,6,6]	3:3:3:4:	4:3:1:	4:4:3:	C[6,6,6a]-3:C[5,6,6]-3:C[6,6]-3:C[5]-4:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]H)(C[5]C[5]CH)	C[6,6](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6]C[3x6]H)(H)	C[5,6,6](C[5,3x6]C[6,6,6a]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[5]C[5]H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]H)(C[5]C[5]CH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6,6](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[6,6]C[3x6]H)(H){2|C<4>,2|H<1>,4|C<3>}	C[5,6,6](C[5,3x6]C[6,6,6a]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[5]C[5]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	103.7345	0.344	2	103.7345	0.119	2	103.7345	0.119	2	103.7345	0.119	2	105.3767	3.067	11	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,3x6]	C[6,6]	C[5,6,6]	3:3:4:3:	4:4:3:	4:3:3:	C[5,6a]-3:C[5,6,6]-3:C[6,6]-4:C[6,6]-3:	C[5,3x6]-4:C[6,6]-4:C-3:	C[5,3x6]-4:C[6,6]-3:N[5]-3:	C[5,3x6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[6,6]N[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[6,6]N[3x6]HH)(CHH)	C[5,6,6](C[5,3x6]C[5,6a]C[6,6]2)(C[6,6]N[3x6]C[6a])(N[5]C[5,6a]C)	C[5,3x6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[6,6]N[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[6,6]N[3x6]HH)(CHH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6,6](C[5,3x6]C[5,6a]C[6,6]2)(C[6,6]N[3x6]C[6a])(N[5]C[5,6a]C){2|C<4>,2|H<1>,5|C<3>}	105.0960	0.000	1	105.0960	0.000	1	105.0960	0.000	1	105.0960	0.000	1	105.3767	3.067	11	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,3x6]	C[6,6]	C[5,6,6]	3:3:4:3:	4:4:3:	4:4:2:	C[5,6a]-3:C[5,6,6]-3:C[6,6]-4:C[6,6]-3:	C[5,3x6]-4:C[6,6]-4:C-3:	C[5,3x6]-4:C[6,6]-4:N[5]-2:	C[5,3x6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[6,6]N[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[6,6]N[3x6]HH)(CHH)	C[5,6,6](C[5,3x6]C[5,6a]C[6,6]2)(C[6,6]N[3x6]CC)(N[5]C[5,6a])	C[5,3x6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[6,6]N[5])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]C){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[6,6]N[3x6]HH)(CHH){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,3x6]C[5,6a]C[6,6]2)(C[6,6]N[3x6]CC)(N[5]C[5,6a]){2|C<4>,2|H<1>,3|C<3>}	104.2370	0.000	1	104.2370	0.000	1	104.2370	0.000	1	104.2370	0.000	1	105.3767	3.067	11	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,3x6]	C[6,6]	C[5,6,6]	3:4:3:3:	4:3:1:	4:3:3:	C[5,6,6]-3:C[3x6]-4:C[6,6]-3:C[5]-3:	C[5,3x6]-4:C[6,6]-3:Cl-1:	C[5,3x6]-4:C[6,6]-3:C[5]-3:	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]Cl)(C[5]N[5]O)	C[6,6](C[5,3x6]C[5,6,6]C[3x6]C[5])(C[6,6]C[3x6]Cl)(Cl)	C[5,6,6](C[5,3x6]C[3x6]C[6,6]C[5])(C[6,6]C[3x6]Cl)(C[5]N[5]O)	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]Cl)(C[5]N[5]O){2|Cl<1>,1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[5,3x6]C[5,6,6]C[3x6]C[5])(C[6,6]C[3x6]Cl)(Cl){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5,6,6](C[5,3x6]C[3x6]C[6,6]C[5])(C[6,6]C[3x6]Cl)(C[5]N[5]O){2|Cl<1>,1|C<3>,1|H<1>,1|O<1>,3|C<4>}	107.4510	0.011	2	107.4510	0.000	2	107.4510	0.000	2	107.4510	0.000	2	105.3767	3.067	11	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,3x6]	C[6]	C[5,6]	4:3:3:3:	4:3:1:	4:4:4:	C[5,5,3x6]-4:C[5,6]-3:C[6,6]-3:C[6]-3:	C[5,3x6]-4:C[6,6a]-3:O-1:	C[5,3x6]-4:C[5]-4:C[6]-4:	C[5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]O)(C[5,6]C[5]C[6])(C[6,6]C[3x6]O)(C[6]C[6,6a]O)	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]C[6])(C[5]C[5,5,6,6]HH)(C[6]C[6,6a]CC)	C[5,3x6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]O)(C[5,6]C[5]C[6])(C[6,6]C[3x6]O)(C[6]C[6,6a]O){2|H<1>,3|C<3>,7|C<4>}	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|C<3>,2|O<1>,5|C<4>}	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]C[6])(C[5]C[5,5,6,6]HH)(C[6]C[6,6a]CC){3|C<3>,3|C<4>,3|O<1>}	114.0980	0.000	1	114.0980	0.000	1	114.0980	0.000	1	114.0980	0.000	1	114.0980	0.000	1	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,5,6,6]	C[6]	C[5,6,6]	3:3:4:3:	4:3:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,5]-4:C[6]-3:	C[5,5,6,6]-4:C[6]-3:H-1:	C[5,5,6,6]-4:C[5,6]-3:C[6]-3:	C[5,5,6,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6]C[6])(C[5,5]C[5,5,6]HH)(C[6]C[6]H)	C[6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,5])(C[6]C[6]H)(H)	C[5,6,6](C[5,5,6,6]C[5,6,6a]C[5,5]C[6])(C[5,6]C[5,5,6]C[6a])(C[6]C[6]H)	C[5,5,6,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6]C[6])(C[5,5]C[5,5,6]HH)(C[6]C[6]H){4|C<3>,4|H<1>}	C[6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,5])(C[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[5,6,6](C[5,5,6,6]C[5,6,6a]C[5,5]C[6])(C[5,6]C[5,5,6]C[6a])(C[6]C[6]H){5|C<3>,5|H<1>}	114.2110	0.000	1	114.2110	0.000	1	114.2110	0.000	1	114.2110	0.000	1	114.2110	0.000	1	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,5,6]	C[6]	C[5,6]	3:3:3:3:	4:3:1:	4:4:3:	C[5,6]-3:N[5,5]-3:C[5]-3:C[6]-3:	C[5,5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[5,5,6](C[5,6]C[5]C[6])(N[5,5]C[5]2)(C[5]C[5]H)(C[6]C[6]H)	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]N)(H)	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]H)	C[5,5,6](C[5,6]C[5]C[6])(N[5,5]C[5]2)(C[5]C[5]H)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,6|H<1>}	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]N)(H){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	107.0850	0.000	1	107.0850	0.000	1	107.0850	0.000	1	107.0850	0.000	1	107.5329	11.102	9	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,5,6]	C[6]	C[5,6]	3:4:4:3:	4:3:1:	4:3:2:	C[5,6]-3:C[5,5]-4:C[5]-4:C[6]-3:	C[5,5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[6]-3:O[5]-2:	C[5,5,6](C[5,6]C[6]O[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6]Cl)(O[5]C[5])	C[5,5,6](C[5,6]C[6]O[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(C[6]C[6]H){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6]Cl)(O[5]C[5]){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	113.0150	0.000	1	113.0150	0.000	1	113.0150	0.000	1	113.0150	0.000	1	107.5329	11.102	9	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,5,6]	C[6]	C[5,6]	3:4:4:3:	4:3:1:	4:4:1:	C[5,6]-3:C[5,5]-4:C[5]-4:C[6]-3:	C[5,5,6]-4:C[6]-3:O-1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5,6](C[5,6]C[5,6]O)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]O)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]O)(O)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(O)	C[5,5,6](C[5,6]C[5,6]O)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]O)(O){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(O){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	104.0320	0.000	1	105.8795	6.827	2	105.8795	6.827	2	105.8795	6.827	2	107.5329	11.102	9	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,5,6]	C[6]	C[5,6]	3:4:4:3:	4:3:1:	4:4:1:	C[5,6]-3:C[5,5]-4:C[5]-4:C[6]-3:	C[5,5,6]-4:C[6]-3:O-1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5,6](C[5,6]C[5,6]O)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]O)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]O)(O)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(O)	C[5,5,6](C[5,6]C[5,6]O)(C[5,5]C[5]2H)(C[5]C[5]CH)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]O)(O){1|O<1>,2|H<1>,6|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(O){1|C<3>,1|O<1>,2|H<1>,6|C<4>}	107.7270	0.000	1	105.8795	6.827	2	105.8795	6.827	2	105.8795	6.827	2	107.5329	11.102	9	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,5,6]	C[6]	C[5,6]	3:4:4:3:	4:4:3:	4:4:3:	C[5,6]-3:C[5,5]-4:C[5]-4:C[6]-3:	C[5,5,6]-4:C[6]-4:C-3:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[5,5,6](C[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]HH)(C[6]C[6]C)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(CBrH)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6]CC)(C[5]C[5]H)	C[5,5,6](C[5,6]C[5]C[6])(C[5,5]C[5]2H)(C[5]C[5]HH)(C[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,7|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(CBrH){2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6]CC)(C[5]C[5]H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	109.2035	0.019	2	109.2035	0.000	2	109.2035	0.000	2	109.2035	0.000	2	107.5329	11.102	9	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,5,6]	C[6]	C[5,6]	4:3:4:3:	4:3:1:	4:4:1:	C[5,5]-4:C[5,6]-3:C[5]-4:C[6]-3:	C[5,5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:O-1:	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6,6]O)(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]Br)(H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6,6]C[5,6]C[6,6]H)(O)	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6,6]O)(C[5]C[5]HH)(C[6]C[6]H){1|Br<1>,2|C<4>,6|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]Br)(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6,6]C[5,6]C[6,6]H)(O){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	103.9850	0.000	1	103.9850	0.000	1	103.5435	0.390	2	103.5435	0.390	2	107.5329	11.102	9	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,5,6]	C[6]	C[5,6]	4:3:4:3:	4:3:1:	4:4:1:	C[5,5]-4:C[5,6]-3:C[5]-4:C[6]-3:	C[5,5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:O-1:	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6,6]O)(C[5]C[5]HH)(C[6]C[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6,6]C[5,6]C[6,6]O)(O)	C[5,5,6](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6,6]O)(C[5]C[5]HH)(C[6]C[6]H){1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]H)(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6,6]C[5,6]C[6,6]O)(O){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	103.1020	0.000	1	103.1020	0.000	1	103.5435	0.390	2	103.5435	0.390	2	107.5329	11.102	9	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,5,6]	C[6]	C[5,6]	4:3:4:3:	4:4:1:	4:2:3:	C[5,5,6]-4:C[5,6]-3:C[5]-4:C[6]-3:	C[5,5,6]-4:C[6]-4:O-1:	C[5,5,6]-4:O[5]-2:C[6]-3:	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[6]O[5])(C[5]C[5,6]CC)(C[6]C[6]O)	C[6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[6]C[6]CC)(O)	C[5,6](C[5,5,6]C[5,5,6]C[5]C[6])(O[5]C[5,6])(C[6]C[6]C)	C[5,5,6](C[5,5,6]C[5,6]2H)(C[5,6]C[6]O[5])(C[5]C[5,6]CC)(C[6]C[6]O){2|C<3>,3|H<1>,5|C<4>}	C[6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[6]C[6]CC)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5]C[6])(O[5]C[5,6])(C[6]C[6]C){1|H<1>,2|O<1>,7|C<4>}	110.4430	0.000	1	110.4430	0.000	1	110.4430	0.000	1	110.4430	0.000	1	107.5329	11.102	9	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6,6]	C[3x6]	C[5,6,6]	3:3:3:4:	4:3:3:	3:4:4:	C[5,6,6a]-3:C[3x6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6,6]-3:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[3x6]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)(CF3)	C[3x6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[3x6]C)(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[3x6]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C[3x6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[3x6]C)(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	114.1990	0.000	1	114.1990	0.000	1	114.1990	0.000	1	114.1990	0.000	1	114.7043	1.690	3	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6,6]	C[3x6]	C[5,6,6]	3:3:3:4:	4:3:3:	4:3:4:	C[5,6,6a]-3:C[3x6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6]-3:C[3x6]-3:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[3x6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3)	C[3x6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)(C[3x6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[3x6]C)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[3x6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3){4|C<3>,5|C<4>}	C[3x6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)(C[3x6]C[5,6,6]2){5|C<4>,7|C<3>}	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[3x6]C){2|C<4>,7|C<3>}	113.7330	0.000	1	113.7330	0.000	1	113.7330	0.000	1	113.7330	0.000	1	114.7043	1.690	3	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6,6]	C[3x6]	C[5,6,6]	3:3:4:4:	4:3:4:	4:3:4:	C[5,6,6]-3:C[3x6]-3:C[6]-4:C[5]-4:	C[5,6,6]-4:C[3x6]-3:C[3x6]-4:	C[5,6,6]-4:C[5a,6]-3:C[5,6]-4:	C[5,6,6](C[5,6,6]C[5a,6]C[5,6])(C[3x6]C[3x6]2)(C[6]C[6]ClH)(C[5]C[5]HH)	C[3x6](C[5,6,6]C[5,6,6]C[5]C[6])(C[3x6]C[5a,6]C[3x6])(C[3x6]C[6,6]2H)	C[5,6,6](C[5,6,6]C[3x6]C[5]C[6])(C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6]H)	C[5,6,6](C[5,6,6]C[5a,6]C[5,6])(C[3x6]C[3x6]2)(C[6]C[6]ClH)(C[5]C[5]HH){2|C<3>,4|C<4>,6|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]C[6])(C[3x6]C[5a,6]C[3x6])(C[3x6]C[6,6]2H){1|Cl<1>,1|C<3>,1|S<2>,5|C<4>,8|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]C[6])(C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]C[6]H){1|Cl<1>,1|S<2>,2|C<4>,3|C<3>,7|H<1>}	116.1810	0.000	1	116.1810	0.000	1	116.1810	0.000	1	116.1810	0.000	1	114.7043	1.690	3	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6,6]	C[6,6]	C[5,6]	3:3:3:4:	4:4:3:	4:4:2:	C[5,6a]-3:C[5,6]-3:C[6,6]-3:C[6]-4:	C[5,6,6]-4:C[3x6]-4:C-3:	C[5,6,6]-4:C[6,6]-4:N[5]-2:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6,6]C[3x6]C)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[3x6]C[6,6]2H)(CCH)	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(C[6,6]C[6,6]O[6]H)(N[5]C[5,6a])	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6,6]C[3x6]C)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[3x6]C[6,6]2H)(CCH){1|N<2>,2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(C[6,6]C[6,6]O[6]H)(N[5]C[5,6a]){3|C<3>,3|C<4>,4|H<1>}	106.3680	2.034	2	106.3680	4.136	2	106.3680	4.136	2	106.3680	4.136	2	106.9776	6.930	14	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6,6]	C[6,6]	C[5,6]	3:3:4:4:	4:4:1:	4:3:2:	C[5,6]-3:C[6,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:O-1:	C[5,6,6]-4:C[6]-3:O[5]-2:	C[5,6,6](C[5,6]C[6]O[5])(C[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]2C)(O)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5])	C[5,6,6](C[5,6]C[6]O[5])(C[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]2C)(O){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5]){1|O<2>,2|C<4>,2|O<1>,5|H<1>}	106.1230	0.000	1	108.0570	2.974	4	108.0570	2.974	4	108.0570	2.974	4	106.9776	6.930	14	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6,6]	C[6,6]	C[5,6]	3:3:4:4:	4:4:1:	4:3:2:	C[5,6]-3:C[6,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-4:O-1:	C[5,6,6]-4:C[6]-3:O[5]-2:	C[5,6,6](C[5,6]C[6]O[5])(C[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]2C)(O)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5])	C[5,6,6](C[5,6]C[6]O[5])(C[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]2C)(O){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5]){2|O<1>,3|C<4>,5|H<1>}	108.7017	1.403	3	108.0570	2.974	4	108.0570	2.974	4	108.0570	2.974	4	106.9776	6.930	14	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6,6]	C[6,6]	C[5,6]	3:4:3:4:	4:4:3:	4:4:3:	C[6,6]-3:C[5,6]-4:C[5,6]-3:C-4:	C[6,6]-4:C[5,6,6]-4:C[6]-3:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]H)(C[5,6]C[5]C[6])(CH3)	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2C)(C[6]C[6]H)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]O[5]HH)(C[6]C[6]C)	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]H)(C[5,6]C[5]C[6])(CH3){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2C)(C[6]C[6]H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]O[5]HH)(C[6]C[6]C){1|C<3>,2|C<4>,3|H<1>}	109.1300	0.328	2	109.1300	0.108	2	109.1300	0.108	2	109.1300	0.108	2	106.9776	6.930	14	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6,6]	C[6,6]	C[5,6]	4:3:3:1:	4:3:1:	4:4:3:	C[5,6]-4:C[5,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-3:H-1:	C[3,5,6]-4:C[5,6,6]-4:C-3:	C[5,6,6](C[5,6]C[3,5,6]C[5a]H)(C[5,6]C[3,5,6]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[3,6,6]H)(H)	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[5,6]C[6,6]H)(CC[6a]2)	C[5,6,6](C[5,6]C[3,5,6]C[5a]H)(C[5,6]C[3,5,6]C)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|N<2>,1|S<2>,2|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[3,6,6]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[5,6]C[6,6]H)(CC[6a]2){3|C<3>,3|H<1>}	107.8660	0.000	1	107.8660	0.000	1	108.1765	0.193	2	108.1765	0.193	2	106.9776	6.930	14	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6,6]	C[6,6]	C[5,6]	4:3:3:1:	4:3:1:	4:4:3:	C[5,6]-4:C[5,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-3:H-1:	C[3,5,6]-4:C[5,6,6]-4:C-3:	C[5,6,6](C[5,6]C[3,5,6]C[6]H)(C[5,6]C[3,5,6]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[3,6,6]H)(H)	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[5,6]C[6,6]H)(CC[6a]2)	C[5,6,6](C[5,6]C[3,5,6]C[6]H)(C[5,6]C[3,5,6]C)(C[6,6]C[6,6]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[3,6,6]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[5,6]C[6,6]H)(CC[6a]2){3|C<3>,3|H<1>}	108.4870	0.000	1	108.4870	0.000	1	108.1765	0.193	2	108.1765	0.193	2	106.9776	6.930	14	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6,6]	C[6,6]	C[5,6]	4:3:3:1:	4:3:3:	4:4:2:	C[5,6]-4:C[5,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[5,6,6]-4:C[6]-4:N[5]-2:	C[5,6,6](C[5,6]C[6]O[5]H)(C[5,6]C[6]N[5])(C[6,6]C[6]2)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6a]C[6])(C[6]C[6]H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]CC)(N[5]O[5])	C[5,6,6](C[5,6]C[6]O[5]H)(C[5,6]C[6]N[5])(C[6,6]C[6]2)(H){2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6a]C[6])(C[6]C[6]H){1|C<4>,1|N<2>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]CC)(N[5]O[5]){2|H<1>,3|C<3>}	106.7130	0.000	1	106.7130	0.000	1	106.7130	0.000	1	106.7130	0.000	1	106.9776	6.930	14	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6,6]	C[6,6]	C[5,6]	4:3:3:1:	4:4:3:	4:4:3:	C[5,6]-4:C[5,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5,6,6](C[5,6]C[6]N[5]H)(C[5,6]C[5]C[6])(C[6,6]C[6]2)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]N[5]H)	C[5,6,6](C[5,6]C[6]N[5]H)(C[5,6]C[5]C[6])(C[6,6]C[6]2)(H){1|C<3>,1|C<4>,1|S<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]N[5]H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	108.0180	0.000	1	108.0180	0.000	1	108.0180	0.000	1	108.0180	0.000	1	106.9776	6.930	14	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6,6]	C[6,6]	C[5,6]	4:3:3:3:	3:4:3:	4:3:3:	C[5,6]-4:C[5,6]-3:C[6,6]-3:C[6a]-3:	C[6,6a]-3:C[5,6,6]-4:C[6]-3:	C[5,6,6]-4:C[6,6a]-3:C[5]-3:	C[5,6,6](C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[6,6a]C[5])(C[6,6]C[6,6a]C[6])(C[6a]C[6a]2)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6,6]C[5,6]2C[6a])(C[6]C[5,6]C[6a])	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6a])(C[6,6a]C[6,6a,6a]C[6a])(C[5]C[6a]C[5])	C[5,6,6](C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[6,6a]C[5])(C[6,6]C[6,6a]C[6])(C[6a]C[6a]2){11|C<3>,1|O<1>,2|H<1>}	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6,6]C[5,6]2C[6a])(C[6]C[5,6]C[6a]){12|C<3>,1|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]C[6a])(C[6,6a]C[6,6a,6a]C[6a])(C[5]C[6a]C[5]){10|C<3>,1|H<1>,1|O<1>}	101.6890	1.450	2	101.6890	2.101	2	101.6890	2.101	2	101.6890	2.101	2	106.9776	6.930	14	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6,6]	C[6]	C[5,6,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[5,6,6]-3:C[6]-3:	C[5,6,6]-4:C[5,6]-3:C[6a]-3:	C[5,6,6]-4:C[5,6]-3:C[5,6]-3:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6,6]C[5,6]2)(C[6]C[5,6]C[6a])	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)	C[5,6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[5,6]C[5,6a]C[5,6])2	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5,6,6]C[5,6]2)(C[6]C[5,6]C[6a]){10|C<3>,1|H<1>,1|O<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2){11|C<3>,2|H<1>}	C[5,6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[5,6]C[5,6a]C[5,6])2{10|C<3>}	109.7670	0.000	1	109.7670	0.000	1	109.7670	0.000	1	109.7670	0.000	1	109.6096	11.919	5	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6,6]	C[6]	C[5,6,6]	3:3:4:3:	4:3:4:	4:4:2:	C[5,6a]-3:C[5,6,6]-3:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6]-3:C-4:	C[5,6,6]-4:C[3x6]-4:N[5]-2:	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[3x6]N[5])(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6,6]H)(CH3)	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[3x6]C[6,6]N[6,6]C)(N[5]C[5,6a])	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[5,6,6]C[3x6]N[5])(C[6]C[6]HH)(C[6]C[6]C){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6,6]H)(CH3){1|N<2>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[3x6]C[6,6]N[6,6]C)(N[5]C[5,6a]){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	108.9870	0.341	2	108.9870	0.116	2	108.9870	0.116	2	108.9870	0.116	2	109.6096	11.919	5	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6,6]	C[6]	C[5,6,6]	3:4:3:2:	4:3:1:	4:4:3:	C[5,6,6]-3:C[6]-4:C[6]-3:O[5]-2:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-3:	C[5,6,6](C[5,6,6]C[5,6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(O[5]C[5])	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]C)(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6,6]C[6]2O[5])(C[6]C[6]O)	C[5,6,6](C[5,6,6]C[5,6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)(O[5]C[5]){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]C)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6,6]C[6]2O[5])(C[6]C[6]O){1|C<3>,1|O<1>,3|C<4>,8|H<1>}	114.9580	0.000	1	114.9580	0.000	1	114.9580	0.000	1	114.9580	0.000	1	109.6096	11.919	5	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6,6]	C[6]	C[5,6,6]	3:4:4:3:	4:3:1:	4:4:3:	C[5,6,6]-3:C[5,6]-4:C[5]-4:C[6]-3:	C[5,6,6]-4:N[6]-3:O-1:	C[5,6,6]-4:C[4,6,6]-4:C[5]-3:	C[5,6,6](C[5,6,6]C[4,6,6]C[5])(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(C[6]N[6]O)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(N[6]C[4,5,6]C)(O)	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[4,6,6]C[4,5,6]2H)(C[5]C[5]H)	C[5,6,6](C[5,6,6]C[4,6,6]C[5])(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)(C[6]N[6]O){1|Cl<1>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(N[6]C[4,5,6]C)(O){1|C<3>,1|O<2>,2|H<1>,6|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[4,6,6]C[4,5,6]2H)(C[5]C[5]H){1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<4>}	105.3490	0.000	1	105.3490	0.000	1	105.3490	0.000	1	105.3490	0.000	1	109.6096	11.919	5	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6,6]	C[6]	C[5,6]	3:3:3:3:	4:3:1:	4:4:3:	C[6,6a]-3:C[5,6]-3:N[5,6]-3:C[6]-3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(C[6]C[6]H)	C[6](C[5,6,6]C[6,6a]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(C[6]C[6]H){1|C<4>,3|C<3>,9|H<1>}	C[6](C[5,6,6]C[6,6a]C[5,6]N[5,6])(C[6]C[6]H)(H){1|O<1>,3|C<3>,3|C<4>}	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	112.1280	0.000	1	112.1280	0.000	1	112.1280	0.000	1	112.1280	0.000	1	109.6598	6.777	5	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6,6]	C[6]	C[5,6]	3:3:4:3:	4:3:1:	4:4:1:	C[5,6]-3:C[5,6]-3:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6]-3:O-1:	C[5,6,6]-4:C[5,6]-4:O-1:	C[5,6,6](C[5,6]C[6,6]C[5])(C[5,6]C[5,6]O)(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(O)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5]C[6]H)(O)	C[5,6,6](C[5,6]C[6,6]C[5])(C[5,6]C[5,6]O)(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(O){1|Si<4>,1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5]C[6]H)(O){1|Si<4>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	106.3400	0.000	1	106.3400	0.000	1	106.3400	0.000	1	106.3400	0.000	1	109.6598	6.777	5	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6,6]	C[6]	C[5,6]	4:3:3:3:	4:3:1:	4:4:3:	C[5,6]-4:C[5,6]-3:C[6]-3:C[6]-3:	C[5,6,6]-4:C[6]-3:Cl-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]Cl)(C[6]C[6]H)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(Cl)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]Cl)	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]Cl)(C[6]C[6]H){1|Cl<1>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(Cl){2|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]Cl){1|Cl<1>,1|C<4>,1|O<1>,3|C<3>,3|H<1>}	107.3940	0.000	1	107.3940	0.000	1	107.3940	0.000	1	107.3940	0.000	1	109.6598	6.777	5	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6,6]	C[6]	C[5,6]	4:3:4:3:	4:3:1:	4:2:3:	C[5,6]-4:C[5,6]-3:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:O[5]-2:C[6]-3:	C[5,6,6](C[5,6]C[5,6]HH)(C[5,6]C[6]O[5])(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]O)(H)	C[5,6](C[5,6,6]C[5,6]C[6]2)(O[5]C[5,6])(C[6]C[6]H)	C[5,6,6](C[5,6]C[5,6]HH)(C[5,6]C[6]O[5])(C[6]C[6]CH)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]O)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(O[5]C[5,6])(C[6]C[6]H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	111.2310	0.000	1	111.2310	0.000	1	111.2310	0.000	1	111.2310	0.000	1	109.6598	6.777	5	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6,6]	C[6]	C[5,6]	4:3:4:3:	4:3:1:	4:4:3:	C[5,6]-4:C[5,6]-3:C[6]-4:C[6]-3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]CC)(C[5]C[5]H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(H){2|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]CC)(C[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	111.2060	0.000	1	111.2060	0.000	1	111.2060	0.000	1	111.2060	0.000	1	109.6598	6.777	5	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6,6]	C[5,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6,6]-3:C[5]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[5]N[5]O)	C[6,6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O)	C[5,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[5]N[5]O){1|H<1>,1|N<3>,2|O<1>,3|C<4>,4|C<3>}	C[6,6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5,6]C[5,6a]N[6])(C[5]C[5,6a]O){1|C<4>,1|N<3>,1|O<1>,6|C<3>}	107.6550	0.110	2	107.6550	0.012	2	107.6550	0.012	2	107.6550	0.012	2	107.6550	0.012	2	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:4:	4:3:1:	3:4:3:	C[5,6]-3:C[6]-3:O[5]-2:C-4:	C[5,6]-4:C[6]-3:O-1:	C[6,6]-3: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[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]H)(O)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]C)(C[5]C[5]C)	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[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]H)(O){4|C<3>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]C)(C[5]C[5]C){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	112.9985	0.088	2	112.9985	0.008	2	112.9985	0.008	2	112.9985	0.008	2	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:2:4:	4:3:1:	4:3:2:	C[5,6]-3:C[6]-3:O[5]-2:C-4:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-2:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(O[5]P[5])(CC3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]C)(N[5]P[5])	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[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<2>,1|P<4>}	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]C)(N[5]P[5]){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	110.1610	0.000	1	110.1610	0.000	1	110.1610	0.000	1	110.1610	0.000	1	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:1:	4:3:4:	4:4:1:	C[5,6]-3:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:Si-4:	C[5,6,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6,6]O)(C[5]C[5,6]H)(C[6]C[6]Si)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(SiC3)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5]C[6]H)(O)	C[5,6](C[5,6]C[5,6,6]O)(C[5]C[5,6]H)(C[6]C[6]Si)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(SiC3){1|C<3>,1|C<4>,1|H<1>,2|O<1>}	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5]C[6]H)(O){1|Si<4>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	105.9220	0.000	1	105.9220	0.000	1	105.9220	0.000	1	105.9220	0.000	1	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:1:	4:4:1:	4:4:1:	C[5,6]-3:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6,6]O)(C[5]C[5]C)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(O)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(O)	C[5,6](C[5,6]C[5,6,6]O)(C[5]C[5]C)(C[6]C[6]O)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(O){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]H)(O){1|O<1>,4|C<4>,4|H<1>}	108.2350	0.000	1	108.2350	0.000	1	108.2350	0.000	1	108.2350	0.000	1	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:3:	4:3:1:	4:3:2:	C[5,6a]-3:C[5,6]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6a]-3:N[5]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6,6a]H)(H)	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5]C[5,6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6a]C[6a]2)(C[6]C[6]H){4|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6,6a]H)(H){1|N<2>,6|C<3>}	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5]C[5,6a]){2|H<1>,7|C<3>}	108.8440	0.000	1	108.8440	0.000	1	108.8440	0.000	1	108.8440	0.000	1	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:3:	4:3:1:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-3:C[5]-3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(C[5]N[5]O)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[6,6a]O[5])(C[5]C[5]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(C[5]N[5]O){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[6,6a]O[5])(C[5]C[5]C){1|N<3>,1|O<2>,2|O<1>,5|C<3>}	113.1050	0.000	1	113.1050	0.000	1	113.1050	0.000	1	113.1050	0.000	1	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:3:	4:3:2:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]N[5]O)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]O[6]N)(CN)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]O[6])(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6a]O[6])(C[5]C[5,6a]O){1|C<2>,1|N<3>,1|O<1>,5|C<3>}	106.3890	0.000	1	106.3890	0.000	1	106.3890	0.000	1	106.3890	0.000	1	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:3:	4:3:2:	4:3:4:	C[5,6]-3:C[5]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6]-4:C[5,6]-3:S[5]-4:	C[5,6](C[5,6]C[5,6]S[5])(C[5]C[5,6a]O)2(C[6]C[6]C)	C[6](C[5,6]C[5,6]C[5]2)(C[6]O[6]N)(CN)	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]O[6])(S[5]C[5]OO)	C[5,6](C[5,6]C[5,6]S[5])(C[5]C[5,6a]O)2(C[6]C[6]C){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|O<1>}	C[6](C[5,6]C[5,6]C[5]2)(C[6]O[6]N)(CN){1|S<4>,2|O<1>,3|C<3>}	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]O[6])(S[5]C[5]OO){1|C<2>,2|O<1>,3|C<3>,4|H<1>}	106.2460	0.000	1	106.2460	0.000	1	106.2460	0.000	1	106.4630	0.094	2	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:3:	4:3:2:	4:3:4:	C[5,6a]-3:C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-2:	C[5,6]-4:C[5,6]-3:S[5]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5])(C[5]N[5]O)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]O[6]N)(CN)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]O[6])(S[5]C[5]OO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5])(C[5]N[5]O)(C[6]C[6]C){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]O[6]N)(CN){1|N<3>,1|O<1>,1|S<4>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]O[6])(S[5]C[5]OO){1|C<2>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	106.6800	0.000	1	106.6800	0.000	1	106.6800	0.000	1	106.4630	0.094	2	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:3:	4:3:4:	4:3:4:	C[5,6a]-3:C[5,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]N[5]O)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]O)(CH3)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]C[6])(C[5]C[5]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]N[5]O)(C[6]C[6]C){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,2|O<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]C[6])(C[5]C[5]HH){1|C<4>,1|N<3>,2|O<1>,3|C<3>,4|H<1>}	114.1660	0.000	1	114.1660	0.000	1	114.1660	0.000	1	114.1660	0.000	1	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:4:	4:3:1:	3:4:3:	C[5,6]-3:C[5]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]C)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]H)(CH3){2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]C){1|O<1>,3|H<1>,4|C<3>}	111.6190	0.000	1	111.6190	0.000	1	111.6190	0.000	1	111.6190	0.000	1	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:4:	4:3:1:	4:2:3:	C[5,6a]-3:C[5,6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:O[5]-2:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6]O)(CH3)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]C)(O)	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6]O)(CH3){1|H<1>,1|O<2>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]C)(O){1|O<1>,1|O<2>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]H){2|O<1>,3|C<3>}	112.9384	0.471	5	112.9384	0.222	5	112.9384	0.222	5	112.9384	0.222	5	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:4:	4:3:1:	4:3:2:	C[5,6]-3:C[5]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-2:	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]N)(C[6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]C)(N[5]C[5])	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]N)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(H){1|H<1>,2|C<3>,2|N<2>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]C)(N[5]C[5]){1|N<2>,2|C<3>,2|H<1>}	111.7840	0.000	1	111.7840	0.000	1	111.7840	0.000	1	111.3198	0.662	6	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:4:	4:3:1:	4:3:2:	C[5,6a]-3:C[5,6]-3:C[6]-3:C-4:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6]-4:C[6]-3:O[5]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6,6a]O)(CCHH)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6]C[6,6a]C[6a])(O[5]C[5,6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6,6a]O)(CCHH){1|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6]C[6,6a]C[6a])(O[5]C[5,6a]){1|O<1>,6|C<3>}	111.3490	0.000	1	111.3490	0.000	1	111.3490	0.000	1	111.3198	0.662	6	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:4:	4:3:1:	4:3:2:	C[5,6a]-3:C[5,6]-3:C[6]-3:C-4:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6]-4:N[6]-3:N[5]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]C[6,6a]O)(CCHH)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[6]C[6,6a]C)(N[5]C[5,6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]C[6,6a]O)(CCHH){1|Br<1>,1|C<4>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[6]C[6,6a]C)(N[5]C[5,6a]){1|O<1>,4|C<3>}	110.7600	1.508	2	111.1965	1.012	4	111.1965	1.012	4	111.3198	0.662	6	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:4:	4:3:1:	4:3:2:	C[5,6a]-3:C[5,6]-3:C[6]-3:C-4:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6]-4:N[6]-3:N[5]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]C[6,6a]O)(CCHH)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[6]C[6,6a]C)(N[5]C[5,6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]C[6,6a]O)(CCHH){1|C<4>,1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[6]C[6,6a]C)(N[5]C[5,6a]){1|O<1>,4|C<3>}	111.6330	0.008	2	111.1965	1.012	4	111.1965	1.012	4	111.3198	0.662	6	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:3:4:	4:3:3:	4:4:3:	C[5,6]-3:C[5]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:P[5]-4:C[6]-3:	C[5,6](C[5,6]C[6]P[5])(C[5]C[5]C)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(COO)	C[5,6](C[5,6]C[5]C[6]C)(P[5]C[6a]C[5]W)(C[6]C[6]H)	C[5,6](C[5,6]C[6]P[5])(C[5]C[5]C)(C[6]C[6]C)(CH3){1|C<4>,1|W<6>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(COO){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(P[5]C[6a]C[5]W)(C[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	107.8520	0.000	1	107.8520	0.000	1	107.8520	0.000	1	107.8520	0.000	1	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:4:1:	4:3:3:	4:4:1:	C[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6]O)(C[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(O)	C[5,6](C[5,6]C[5,6]O)(C[6]C[6a]C[6])(C[5]C[5]HH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(O){1|O<1>,2|C<3>,4|H<1>}	105.4830	0.000	1	105.4830	0.000	1	105.7765	0.172	2	105.7765	0.172	2	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:4:1:	4:3:3:	4:4:1:	C[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6]O)(C[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6]H)2(O)	C[5,6](C[5,6]C[5,6]O)(C[6]C[6a]C[6])(C[5]C[5]HH)(H){3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H){2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)2(O){1|O<1>,2|C<3>,4|H<1>}	106.0700	0.000	1	106.0700	0.000	1	105.7765	0.172	2	105.7765	0.172	2	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:4:2:	3:4:1:	4:3:2:	C[5,6]-3:C[6]-3:C[5]-4:O-2:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:N[5]-3:N[6]-2:	C[5,6](C[5,6]N[5]N[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(O)	C[5,6](C[5,6]C[5]C[6]O)(N[5]C[6a]C[5])(N[6]C[6,6a])	C[5,6](C[5,6]N[5]N[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(OH){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(O){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(N[5]C[6a]C[5])(N[6]C[6,6a]){1|O<1>,4|C<3>,4|H<1>}	112.4010	0.051	2	112.4010	0.003	2	112.4010	0.003	2	112.4010	0.003	2	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:4:2:	3:4:1:	4:3:4:	C[5,6]-3:C[6]-3:C[5]-4:C-2:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]Si)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(CN){1|Si<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O){2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]Si)(C[5]C[5]HH){1|O<1>,2|C<3>,4|H<1>}	110.1985	0.569	2	110.1985	0.324	2	110.1985	0.324	2	110.1985	0.324	2	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:3:4:3:	4:3:1:	4:3:2:	C[5,6]-3:C[6a]-3:C[5]-4:C[6]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:O[5]-2:	C[5,6](C[5,6]C[6]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]H)(O)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6a]C[6])(O[5]C[5])	C[5,6](C[5,6]C[6]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]O){4|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]H)(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6a]C[6])(O[5]C[5]){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	112.3325	0.233	2	112.3325	0.054	2	112.3325	0.054	2	112.3325	0.054	2	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:1:	3:4:1:	4:4:1:	C[5,6]-3:C[5]-4:C[6]-3:Cl-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,5,6]O)(C[5]C[5,5]CC)(C[6]C[6,6a]O)(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]Cl)(O)	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5,6]C[5]C[6]Cl)(O)	C[5,6](C[5,6]C[5,5,6]O)(C[5]C[5,5]CC)(C[6]C[6,6a]O)(Cl){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]Cl)(O){1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5,6]C[5]C[6]Cl)(O){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	108.4620	0.000	1	108.4620	0.000	1	108.4620	0.000	1	108.4620	0.000	1	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:1:	4:3:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6,6]-3:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]O[5]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]O[5]O)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]O[5]H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]O[5]O){1|C<3>,3|C<4>,5|H<1>}	111.8090	1.239	2	111.8090	1.535	2	111.8090	1.535	2	111.8090	1.535	2	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:1:	4:3:1:	4:4:1:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)2(O)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)2(O){1|C<4>,2|C<3>,5|H<1>}	104.6010	0.255	2	104.6010	0.065	2	105.0263	0.336	4	105.5713	1.095	6	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:1:	4:3:1:	4:4:1:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5]C[6]H)2(O)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)2(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	105.7820	0.000	1	105.4515	0.218	2	105.0263	0.336	4	105.5713	1.095	6	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:1:	4:3:1:	4:4:1:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5]C[6]H)2(O)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H){1|H<1>,2|O<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)2(O){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	105.1210	0.000	1	105.4515	0.218	2	105.0263	0.336	4	105.5713	1.095	6	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:1:	4:3:1:	4:4:1:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(O)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(O)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(O){1|H<1>,1|O<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	105.9900	0.000	1	105.9900	0.000	1	106.6615	0.902	2	105.5713	1.095	6	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:1:	4:3:1:	4:4:1:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O)	C[5,6](C[5,6]C[5]C[6]H)2(O)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)2(O){1|O<1>,2|C<3>,4|H<1>}	107.3330	0.000	1	107.3330	0.000	1	106.6615	0.902	2	105.5713	1.095	6	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:1:	4:3:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C-3:	C[5,6](C[5,6]C[5,6]C)(C[5]O[5]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(CHS)	C[5,6](C[5,6]C[5,6]C)(C[5]O[5]HH)(C[6]C[6]H)(H){1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(CHS){1|C<3>,5|H<1>}	108.1770	0.000	1	108.1770	0.000	1	108.1770	0.000	1	112.4756	3.984	7	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:1:	4:3:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CC)(C[6]C[6]C)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]H)(H){3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,5|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CC)(C[6]C[6]C){1|C<3>,3|C<4>,4|H<1>}	113.7950	0.000	1	113.7950	0.000	1	113.0660	0.385	4	112.4756	3.984	7	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:1:	4:3:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|S<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H){1|S<4>,2|C<3>,4|H<1>}	113.2630	0.000	1	113.2630	0.000	1	113.0660	0.385	4	112.4756	3.984	7	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:1:	4:3:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]H)(H){1|S<4>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C){1|C<3>,1|S<4>,5|H<1>}	112.8810	0.000	1	112.8810	0.000	1	113.0660	0.385	4	112.4756	3.984	7	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:1:	4:3:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H){2|C<3>,4|H<1>}	112.3250	0.000	1	112.3250	0.000	1	113.0660	0.385	4	112.4756	3.984	7	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:1:	4:3:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]H)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]H)(O){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,5|H<1>}	114.1520	0.000	1	114.1520	0.000	1	114.1520	0.000	1	112.4756	3.984	7	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:1:	4:3:1:	4:4:3:	C[5,6]-3:P[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6,6]C[5])(P[5]O[5]MoC)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]P[5]H)(C[6]C[5,6,6]H)(H)	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[6]P[5]H)(C[5]C[6a]O[5])	C[5,6](C[5,6]C[5,6,6]C[5])(P[5]O[5]MoC)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]P[5]H)(C[6]C[5,6,6]H)(H){1|Mo<6>,1|C<3>,1|H<1>,1|O<2>,1|P<4>,2|C<4>}	C[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[6]P[5]H)(C[5]C[6a]O[5]){1|Mo<6>,1|C<4>,1|O<2>,1|P<4>,2|H<1>,5|C<3>}	112.7360	0.000	1	112.7360	0.000	1	112.7360	0.000	1	112.4756	3.984	7	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:1:	4:3:4:	4:4:1:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,5,6]O)(C[5]C[5,5]CC)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(O)	C[5,6](C[5,6]C[5,5,6]O)(C[5]C[5,5]CC)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(O){1|C<3>,1|O<2>,3|H<1>,6|C<4>}	107.2170	0.000	1	107.2170	0.000	1	106.9470	0.353	3	106.9470	0.353	3	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:1:	4:3:4:	4:4:1:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,5,6]O)(C[5]C[5,5]CC)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(O)	C[5,6](C[5,6]C[5,5,6]O)(C[5]C[5,5]CC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3){2|O<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(O){1|C<3>,1|O<1>,2|H<1>,6|C<4>}	106.2660	0.000	1	106.8120	0.596	2	106.9470	0.353	3	106.9470	0.353	3	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:1:	4:3:4:	4:4:1:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,5,6]O)(C[5]C[5,5]CC)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(O)	C[5,6](C[5,6]C[5,5,6]O)(C[5]C[5,5]CC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3){2|O<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(O){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	107.3580	0.000	1	106.8120	0.596	2	106.9470	0.353	3	106.9470	0.353	3	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:2:	4:3:1:	4:3:2:	C[5,6]-3:C[5]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O[5]-2:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]H)(OC)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]H)(O[5]C[5])	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	112.5830	0.000	1	112.5830	0.000	1	112.5830	0.000	1	112.5830	0.000	1	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:3:	4:3:1:	4:3:3:	C[5,6]-3:C[5]-4:C[6a]-3:C[6]-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]Si[5]HH)(C[6a]C[6a]2)(C[6]N[6]O)	C[6](C[5,6]C[5,6]C[6a]C[5])(N[6]C[6,6a]C)(O)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]Si[5])	C[5,6](C[5,6]C[6,6a]C[5])(C[5]Si[5]HH)(C[6a]C[6a]2)(C[6]N[6]O){2|Si<4>,1|C<4>,2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[6a]C[5])(N[6]C[6,6a]C)(O){1|Si<4>,2|H<1>,5|C<3>}	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]Si[5]){2|Si<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	110.4120	0.000	1	110.4120	0.000	1	110.4120	0.000	1	110.4120	0.000	1	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:4:	3:4:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-3:C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6,6a]O)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O)	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6,6a]O)(CH3){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O){3|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]O){1|O<1>,2|H<1>,5|C<3>}	108.2650	0.000	1	108.2650	0.000	1	108.2650	0.000	1	108.2650	0.000	1	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:4:	4:3:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-4:N[6]-3:O-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]C)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a])	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3){1|C<4>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]C)(O){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a]){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	110.8370	0.583	2	110.8370	0.339	2	109.6266	4.467	9	109.6266	4.467	9	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:4:	4:3:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-4:N[6]-3:O-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a])	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3){1|C<4>,1|O<2>,1|S<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	110.1990	0.000	1	109.1520	3.606	3	109.6266	4.467	9	109.6266	4.467	9	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:4:	4:3:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-4:N[6]-3:O-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a])	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3){1|S<4>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a]){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	106.9600	0.000	1	109.1520	3.606	3	109.6266	4.467	9	109.6266	4.467	9	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:4:	4:3:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-4:N[6]-3:O-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a])	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3){1|S<4>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a]){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	110.2970	0.000	1	109.1520	3.606	3	109.6266	4.467	9	109.6266	4.467	9	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:4:	4:3:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-4:N[6]-3:O-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]N[6]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5])	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]N[6]O)(CH3){1|F<1>,1|S<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5]){1|F<1>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	109.5715	2.232	2	108.4093	6.544	3	109.6266	4.467	9	109.6266	4.467	9	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:4:	4:3:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-4:N[6]-3:O-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]N[6]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5])	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]N[6]O)(CH3){1|S<4>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5]){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	106.0850	0.000	1	108.4093	6.544	3	109.6266	4.467	9	109.6266	4.467	9	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:4:	4:3:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-4:N[6]-3:O-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]S[5]HH)(C[6]N[6]O)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]C)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]S[5])	C[5,6](C[5,6]C[6,6a]C[5])(C[5]S[5]HH)(C[6]N[6]O)(CH3){1|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]C)(O){1|S<2>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]S[5]){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	112.2810	0.000	1	112.2810	0.000	1	109.6266	4.467	9	109.6266	4.467	9	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:4:	4:3:3:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6a]C[6])(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6a]C[6])(CH3){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]H){2|C<4>,3|H<1>,4|C<3>}	109.8300	0.000	1	109.8300	0.000	1	109.8300	0.000	1	109.8300	0.000	1	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:4:	4:3:4:	4:2:3:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:O[5]-2:C[6]-3:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]HH)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(O[5]C[5,6])(C[6]C[6]C)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]HH)(C[6]C[6]C)(CH3){2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(O[5]C[5,6])(C[6]C[6]C){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	112.9830	0.000	1	112.9830	0.000	1	112.0570	0.845	3	112.0570	0.845	3	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:4:	4:3:4:	4:2:3:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:O[5]-2:C[6]-3:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]HH)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[5]C[6]C)(O[5]C[5,6])(C[6]C[6]C)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(O[5]C[5,6])(C[6]C[6]C){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	111.5940	0.635	2	111.5940	0.403	2	112.0570	0.845	3	112.0570	0.845	3	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:4:	4:3:4:	4:4:1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]2H)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(CCCH)	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(O)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]2H)(C[6]C[6]C)(CH3){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(CCCH){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	106.2010	0.000	1	106.2010	0.000	1	106.2010	0.000	1	106.2010	0.000	1	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:4:	4:4:1:	4:4:1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]O)(CC[5]HH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(O)	C[5,6](C[5,6]C[5]C[6]C)2(O)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]O)(CC[5]HH){1|C<3>,1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(O){1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]C)2(O){1|O<1>,2|C<4>,5|H<1>}	109.8080	0.000	1	109.8080	0.000	1	109.8080	0.000	1	109.8080	0.000	1	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:3:4:	4:4:3:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]C)(CCHH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CHH)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]C)(CCHH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CHH){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	110.0980	0.000	1	110.0980	0.000	1	110.0980	0.000	1	110.0980	0.000	1	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	3:4:4:3:	4:2:1:	4:4:3:	C[5,6]-3:C[6]-4:C[5]-4:C[6]-3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]O[6]H)(C[5]C[5]CH)(C[6]O[6]O)	C[6](C[5,6]C[5,6]C[5]C[6])(O[6]C[6])(O)	C[5,6](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(C[6]C[6]C)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]O[6]H)(C[5]C[5]CH)(C[6]O[6]O){2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]C[6])(O[6]C[6])(O){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(C[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,2|O<2>,5|H<1>}	109.4980	0.115	2	109.4980	0.013	2	109.4980	0.013	2	109.4980	0.013	2	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	4:3:3:1:	3:4:1:	3:4:3:	B[5]-4:C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6](B[5]C[5,6a]C[6a]2)(C[5,6]C[5,6a]C[6])(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]B[5]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]B[5]C[6]H)(C[6]C[5,6]H)	C[5,6](B[5]C[5,6a]C[6a]2)(C[5,6]C[5,6a]C[6])(C[6]C[5,6]H)(H){1|C<4>,1|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]B[5]H)(H){1|B<4>,1|H<1>,7|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]B[5]C[6]H)(C[6]C[5,6]H){1|B<4>,3|H<1>,5|C<3>}	110.0460	0.000	1	110.0460	0.000	1	110.0460	0.000	1	110.0460	0.000	1	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	4:3:3:1:	3:4:1:	4:4:1:	C[5,6]-4:C[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]O)(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(O)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[6,6a])(C[5,6]C[5,6]C[6]H)(O)	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]O)(C[6]C[6,6a]O)(H){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[6,6a])(C[5,6]C[5,6]C[6]H)(O){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	107.7200	0.000	1	107.7200	0.000	1	107.7200	0.000	1	107.7200	0.000	1	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	4:3:3:1:	4:3:1:	4:3:3:	Si[5,5]-4:C[5,6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6](Si[5,5]C[5]2O[5])(C[5,6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5,6]Si[5,5]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]Si[5,5]C[6]H)(C[5]C[6a]O[5])(C[6]C[6]H)	C[5,6](Si[5,5]C[5]2O[5])(C[5,6]C[5]C[6])(C[6]C[6]H)(H){4|Si<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]Si[5,5]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]Si[5,5]C[6]H)(C[5]C[6a]O[5])(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	110.4900	0.000	1	110.4900	0.000	1	110.4900	0.000	1	111.0975	0.738	2	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	4:3:3:1:	4:3:1:	4:3:3:	Si[5,6]-4:C[5,6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6](Si[5,6]N[5]N[6]2)(C[5,6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5,6]Si[5,6]C[5,6]H)(C[6]C[6]H)(H)	C[5,6](C[5,6]Si[5,6]C[6]H)(C[5]C[6a]N[5])(C[6]C[6]H)	C[5,6](Si[5,6]N[5]N[6]2)(C[5,6]C[5]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,6|C<3>}	C[6](C[5,6]Si[5,6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>,3|N<3>}	C[5,6](C[5,6]Si[5,6]C[6]H)(C[5]C[6a]N[5])(C[6]C[6]H){2|H<1>,3|C<3>,3|N<3>}	111.7050	0.000	1	111.7050	0.000	1	111.7050	0.000	1	111.0975	0.738	2	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	4:3:3:1:	4:3:1:	4:4:1:	C[5]-4:C[5,6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(O)	C[5,6](C[5,6]C[5]C[6]H)2(O)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)2(O){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	108.4090	0.000	1	108.4090	0.000	1	108.4090	0.000	1	108.4090	0.000	1	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	4:3:3:4:	4:3:1:	4:4:1:	C[3x5,6]-4:C[5,6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,6](C[3x5,6]C[3x5,6]2C[5])(C[5,6]C[5,5,6]O)(C[6]C[6]H)(CH3)	C[6](C[5,6]C[3x5,6]C[5,6]C)(C[6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5,6]C)(C[5,6]C[3x5,6]C[6]C)(O)	C[5,6](C[3x5,6]C[3x5,6]2C[5])(C[5,6]C[5,5,6]O)(C[6]C[6]H)(CH3){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C[6](C[5,6]C[3x5,6]C[5,6]C)(C[6]C[5,6]H)(H){1|O<1>,1|O<2>,5|C<4>}	C[5,6](C[5,5,6]C[3x5,6]C[5,6]C)(C[5,6]C[3x5,6]C[6]C)(O){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	102.4370	0.000	1	102.4370	0.000	1	102.4370	0.000	1	102.4370	0.000	1	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	4:3:3:4:	4:3:4:	4:3:3:	C[5,5]-4:C[5,6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]O)(CH3)	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5,5]O)(C[6]C[6]O)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]C)(CH3){1|C<4>,1|O<1>,3|C<3>,3|O<2>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5,5]O)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	115.6060	0.000	1	115.6060	0.000	1	115.6060	0.000	1	115.6060	0.000	1	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	4:3:3:4:	4:4:1:	4:4:3:	C[5,6]-4:C[5,6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6])(C[6]C[6]O)(CCHH)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6])(C[6]C[6]O)(CCHH){1|N<3>,1|O<1>,1|O<2>,2|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(O){1|H<1>,2|C<3>,4|C<4>}	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[5]C[5]O){1|H<1>,2|O<1>,4|C<4>}	106.8930	0.000	1	106.8930	0.000	1	106.8930	0.000	1	106.8930	0.000	1	109.8951	8.028	82	109.1391	10.530	134
474	762	818	6:SP3_SP2_SP2	C[5,6]	C[6]	C[5,6]	4:3:4:3:	4:4:1:	4:4:3:	C[5,6]-4:C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]C[5])(C[5]C[5]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]2C[5])(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]C)(C[5]C[5,6]H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]C[5])(C[5]C[5]HH)(C[6]C[6]O){6|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]2C[5])(C[6]C[6]HH)(O){1|C<3>,4|H<1>,5|C<4>}	C[5,6](C[5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]C)(C[5]C[5,6]H){1|O<1>,1|O<2>,5|H<1>,7|C<4>}	108.0835	1.152	2	108.0835	1.327	2	108.0835	1.327	2	108.0835	1.327	2	109.8951	8.028	82	109.1391	10.530	134
474	762	830	0:SP3_SP-NON_SP2	C[5,6]	C[6]	F	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6]-3:C[5]-3:F-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]O)(F)	C[6](C[5,6]C[5,6]C[5]F)(C[6a]C[6a]2)(C[6]C[6]F)	F(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]O)(F){1|C<4>,2|C<3>,2|F<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]F)(C[6a]C[6a]2)(C[6]C[6]F){1|C<4>,1|O<1>,2|H<1>,3|F<1>,4|C<3>}	F(C[5,6]C[5,6]C[5]C[6])	109.2180	0.846	2	109.2180	0.715	2	109.2180	0.715	2	109.2180	0.715	2	109.2180	0.715	2	109.2180	0.715	2
474	762	856	0:SP3_SP2_SP2	C[5,6,6]	C[6]	N[6]	3:4:3:3:	4:3:1:	4:3:1:	N[5,6,6]-3:C[5,6]-4:C[6]-3:N[6]-3:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6](N[5,6,6]C[5,6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[5,6,6]N[5,6,6]C[5,6]N[6])(C[6]C[6]H)(H)	N[6](C[5,6,6]N[5,6,6]C[5,6]C[6])(C[6]C[6]O)(H)	C[5,6,6](N[5,6,6]C[5,6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[5,6,6]N[5,6,6]C[5,6]N[6])(C[6]C[6]H)(H){2|C<4>,2|H<1>,4|C<3>}	N[6](C[5,6,6]N[5,6,6]C[5,6]C[6])(C[6]C[6]O)(H){1|C<4>,2|H<1>,6|C<3>}	113.2050	0.000	1	113.2050	0.000	1	113.2050	0.000	1	113.2050	0.000	1	113.2050	0.000	1	113.2050	0.000	1
474	762	856	6:SP3_SP2_SP2	C[5,3x6]	C[6,6]	N[6,6]	4:3:3:4:	4:3:1:	4:3:1:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C[5]-4:	C[5,3x6]-4:N[5,6,6]-3:O-1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]H)(C[5]C[5,5]HH)	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[5,6,6]C[5,3x6]C[5])(O)	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]H)(C[5]C[5,5]HH){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[5,6,6]C[5,3x6]C[5])(O){1|C<3>,5|C<4>,6|H<1>}	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(H){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	105.5380	0.000	1	105.5380	0.000	1	105.5380	0.000	1	105.5380	0.000	1	104.7540	2.943	5	111.4525	12.603	33
474	762	856	6:SP3_SP2_SP2	C[5,3x6]	C[6,6]	N[6,6]	4:3:3:4:	4:3:1:	4:3:4:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C[5]-4:	C[5,3x6]-4:N[5,6,6]-3:O-1:	C[5,3x6]-4:C[6,6]-3:C-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(C[5]C[5,5]HH)	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[5,6,6]C[5,3x6]C[5])(O)	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(CH3)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(C[5]C[5,5]HH){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[5,6,6]C[5,3x6]C[5])(O){1|C<3>,5|H<1>,6|C<4>}	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(CH3){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	103.3570	0.000	1	103.2790	0.012	2	103.6347	0.386	3	103.6347	0.386	3	104.7540	2.943	5	111.4525	12.603	33
474	762	856	6:SP3_SP2_SP2	C[5,3x6]	C[6,6]	N[6,6]	4:3:3:4:	4:3:1:	4:3:4:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C[5]-4:	C[5,3x6]-4:N[5,6,6]-3:O-1:	C[5,3x6]-4:C[6,6]-3:C-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(C[5]C[5,5]HH)	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[5,6,6]C[5,3x6]C[5])(O)	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(CH3)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(C[5]C[5,5]HH){1|O<1>,2|H<1>,6|C<4>}	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[5,6,6]C[5,3x6]C[5])(O){1|C<3>,5|H<1>,6|C<4>}	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(CH3){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	103.2010	0.000	1	103.2790	0.012	2	103.6347	0.386	3	103.6347	0.386	3	104.7540	2.943	5	111.4525	12.603	33
474	762	856	6:SP3_SP2_SP2	C[5,3x6]	C[6,6]	N[6,6]	4:3:3:4:	4:3:1:	4:3:4:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C[5]-4:	C[5,3x6]-4:N[5,6,6]-3:O-1:	C[5,3x6]-4:C[6,6]-3:C-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(C[5]C[5]HH)	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[5,6,6]C[5,3x6]C[5])(O)	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(CH3)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6]C)(C[5]C[5]HH){1|O<1>,3|H<1>,5|C<4>}	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[5,6,6]C[5,3x6]C[5])(O){1|C<3>,5|H<1>,6|C<4>}	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(CH3){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	104.3460	0.000	1	104.3460	0.000	1	103.6347	0.386	3	103.6347	0.386	3	104.7540	2.943	5	111.4525	12.603	33
474	762	856	6:SP3_SP2_SP2	C[5,3x6]	C[6,6]	N[6,6]	4:3:3:4:	4:3:2:	4:3:1:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C[5]-4:	C[5,3x6]-4:C[6,6]-3:C-2:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]C)(N[6,6]C[6,6]H)(C[5]C[5]HH)	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(C[6,6]C[3x6]N)(CN)	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]C)(N[6,6]C[6,6]H)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(C[6,6]C[3x6]N)(CN){1|C<3>,3|C<4>,5|H<1>}	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(H){1|C<2>,1|C<3>,3|C<4>,4|H<1>}	107.3280	0.000	1	107.3280	0.000	1	107.3280	0.000	1	107.3280	0.000	1	104.7540	2.943	5	111.4525	12.603	33
474	762	856	6:SP3_SP2_SP2	C[5,6,6]	C[6]	N[6,6]	3:4:3:2:	4:3:1:	4:3:3:	N[6,6]-3:C[5,6]-4:C[6]-3:O[5]-2:	C[5,6,6]-4:N[5,6]-3:O-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	C[5,6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]C[6]H)(C[6]N[5,6]O)(O[5]C[5])	C[6](C[5,6,6]C[5,6]N[6,6]O[5])(N[5,6]C[5,6]C[5])(O)	N[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[5,6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]C[6]H)(C[6]N[5,6]O)(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,6]N[6,6]O[5])(N[5,6]C[5,6]C[5])(O){1|O<2>,2|C<4>,3|H<1>,5|C<3>}	N[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	115.2350	0.000	1	115.2350	0.000	1	115.2350	0.000	1	115.2350	0.000	1	114.8497	0.375	3	111.4525	12.603	33
474	762	856	6:SP3_SP2_SP2	C[5,6,6]	C[6]	N[6,6]	4:3:3:2:	4:3:1:	4:3:3:	C[5,6]-4:N[6,6]-3:C[6]-3:O[5]-2:	C[5,6,6]-4:N[5,6]-3:O-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	C[5,6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6a]C[6])(C[6]N[5,6]O)(O[5]C[5])	C[6](C[5,6,6]C[5,6]N[6,6]O[5])(N[5,6]C[5,6]C[5])(O)	N[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[5,6,6a]C[6a])(C[6]C[5,6]O)	C[5,6,6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6a]C[6])(C[6]N[5,6]O)(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,6]N[6,6]O[5])(N[5,6]C[5,6]C[5])(O){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	N[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[5,6,6a]C[6a])(C[6]C[5,6]O){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	114.1440	0.000	1	114.1440	0.000	1	114.1440	0.000	1	114.1440	0.000	1	114.8497	0.375	3	111.4525	12.603	33
474	762	856	6:SP3_SP2_SP2	C[5,6,6]	C[6]	N[6,6]	4:3:3:3:	4:3:1:	4:3:3:	C[5,6]-4:N[6,6]-3:C[6]-3:N[5]-3:	C[5,6,6]-4:N[6]-3:O-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	C[5,6,6](C[5,6]C[6a]C[6]O[5])(N[6,6]C[6,6a]C[6])(C[6]N[6]O)(N[5]C[5]H)	C[6](C[5,6,6]C[5,6]N[6,6]N[5])(N[6]C[6]C)(O)	N[6,6](C[5,6,6]C[5,6]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[5,6,6](C[5,6]C[6a]C[6]O[5])(N[6,6]C[6,6a]C[6])(C[6]N[6]O)(N[5]C[5]H){1|H<1>,1|O<1>,1|O<2>,1|S<1>,2|C<4>,4|C<3>}	C[6](C[5,6,6]C[5,6]N[6,6]N[5])(N[6]C[6]C)(O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	N[6,6](C[5,6,6]C[5,6]C[6]N[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	115.1700	0.000	1	115.1700	0.000	1	115.1700	0.000	1	115.1700	0.000	1	114.8497	0.375	3	111.4525	12.603	33
474	762	856	6:SP3_SP2_SP2	C[5,6]	C[6,6]	N[6]	3:3:3:3:	4:3:4:	4:3:3:	C[5,6a]-3:C[6,6]-3:C[5]-3:N[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[5,6]-4:C[6]-3:C-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(N[6]C[6]C)	C[6,6](C[5,6]C[5,6a]C[5]N[6])(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)	N[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]N)(COO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)(N[6]C[6]C){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[5,6]C[5,6a]C[5]N[6])(C[6,6]C[6,6a]C[6])(C[6]C[6]HH){1|C<2>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	N[6](C[5,6]C[5,6a]C[6,6]C[5])(C[6]C[6]N)(COO){1|C<2>,1|C<4>,1|N<3>,1|O<1>,3|C<3>}	112.3540	0.000	1	112.3540	0.000	1	112.3540	0.000	1	112.3540	0.000	1	112.3540	0.000	1	111.4525	12.603	33
474	762	856	6:SP3_SP2_SP2	C[5,6]	C[6]	N[6]	3:2:2:3:	3:4:1:	4:3:4:	C[6]-3:O[5]-2:O[5]-2:N[6]-3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[6]C[6,6a]O)(O[5]C[3,5])2(N[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[6]O[5]2)(O)	N[6](C[5,6]C[6]O[5]2)(C[6]C[6,6a]O)(CH3)	C[5,6](C[6]C[6,6a]O)(O[5]C[3,5])2(N[6]C[6]C){1|O<1>,2|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[6]O[5]2)(O){1|H<1>,3|C<3>,3|C<4>}	N[6](C[5,6]C[6]O[5]2)(C[6]C[6,6a]O)(CH3){1|O<1>,2|C<3>,2|C<4>}	113.9550	0.000	1	113.9550	0.000	1	113.9550	0.000	1	113.9550	0.000	1	112.3858	4.787	24	111.4525	12.603	33
474	762	856	6:SP3_SP2_SP2	C[5,6]	C[6]	N[6]	3:3:3:2:	4:3:1:	4:3:3:	N[6]-3:C[6]-3:C[5]-3:O[5]-2:	C[5,6]-4:N[5,6]-3:O-1:	C[5,6]-4:C[6]-3:C[6a]-3:	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5])	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(C[6a]C[6a]2)	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(C[6a]C[6a]2){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	114.3730	0.000	1	115.2507	1.601	3	115.2507	1.601	3	114.9570	1.404	5	112.3858	4.787	24	111.4525	12.603	33
474	762	856	6:SP3_SP2_SP2	C[5,6]	C[6]	N[6]	3:3:3:2:	4:3:1:	4:3:3:	N[6]-3:C[6]-3:C[5]-3:O[5]-2:	C[5,6]-4:N[5,6]-3:O-1:	C[5,6]-4:C[6]-3:C[6a]-3:	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5])	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(C[6a]C[6a]2)	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(C[6a]C[6a]2){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	116.7010	0.000	1	115.2507	1.601	3	115.2507	1.601	3	114.9570	1.404	5	112.3858	4.787	24	111.4525	12.603	33
474	762	856	6:SP3_SP2_SP2	C[5,6]	C[6]	N[6]	3:3:3:2:	4:3:1:	4:3:3:	N[6]-3:C[6]-3:C[5]-3:O[5]-2:	C[5,6]-4:N[5,6]-3:O-1:	C[5,6]-4:C[6]-3:C[6a]-3:	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5])	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(C[6a]C[6a]2)	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O){1|S<2>,3|C<3>,3|C<4>,3|H<1>}	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(C[6a]C[6a]2){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	114.6780	0.000	1	115.2507	1.601	3	115.2507	1.601	3	114.9570	1.404	5	112.3858	4.787	24	111.4525	12.603	33
474	762	856	6:SP3_SP2_SP2	C[5,6]	C[6]	N[6]	3:3:3:2:	4:3:1:	4:3:3:	N[6]-3:C[6]-3:C[5]-3:O[5]-2:	C[5,6]-4:N[5,6]-3:O-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5])	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O)	N[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	N[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	115.4570	0.000	1	114.5165	1.769	2	114.5165	1.769	2	114.9570	1.404	5	112.3858	4.787	24	111.4525	12.603	33
474	762	856	6:SP3_SP2_SP2	C[5,6]	C[6]	N[6]	3:3:3:2:	4:3:1:	4:3:3:	N[6]-3:C[6]-3:C[5]-3:O[5]-2:	C[5,6]-4:N[5,6]-3:O-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5])	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O)	N[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6,6a]C[6a])(C[6]C[5,6]O)	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O){1|S<2>,2|C<4>,3|C<3>,4|H<1>}	N[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6,6a]C[6a])(C[6]C[5,6]O){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	113.5760	0.000	1	114.5165	1.769	2	114.5165	1.769	2	114.9570	1.404	5	112.3858	4.787	24	111.4525	12.603	33
474	762	856	6:SP3_SP2_SP2	C[5,6]	C[6]	N[6]	3:3:3:3:	4:3:1:	3:4:3:	N[6]-3:C[5]-3:C[6]-3:N[5]-3:	C[5,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:C-3:	C[5,6](N[6]C[6,6a]C)(C[5]N[5]O)(C[6]C[6]H)(N[5]C[5]C)	C[6](C[5,6]C[5]N[5]N[6])(C[6]C[6,6a]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(CHO)	C[5,6](N[6]C[6,6a]C)(C[5]N[5]O)(C[6]C[6]H)(N[5]C[5]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5]N[5]N[6])(C[6]C[6,6a]O)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(CHO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	111.3020	0.000	1	111.3020	0.000	1	111.3020	0.000	1	111.3020	0.000	1	112.3858	4.787	24	111.4525	12.603	33
474	762	856	6:SP3_SP2_SP2	C[5,6]	C[6]	N[6]	3:3:3:3:	4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:N[6]-3:C[6]-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[6,6a]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(N[6]C[6,6a]H)(C[6]N[6]O)	C[6](C[5,6]C[5,6a]C[5]N[6])(N[6]C[6,6a]C)(O)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(N[6]C[6,6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]C[5]N[6])(N[6]C[6,6a]C)(O){1|H<1>,6|C<3>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	108.9660	0.000	1	108.9660	0.000	1	108.9660	0.000	1	108.9660	0.000	1	112.3858	4.787	24	111.4525	12.603	33
474	762	856	6:SP3_SP2_SP2	C[5,6]	C[6]	N[6]	3:3:3:3:	4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C[6]-3:N[6]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)(N[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]N[6]C)(COO)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]O)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]C)(N[6]C[6]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]N[6]C)(COO){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]O)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	109.7060	0.000	1	109.7060	0.000	1	109.7060	0.000	1	109.7060	0.000	1	112.3858	4.787	24	111.4525	12.603	33
474	762	856	6:SP3_SP2_SP2	C[5,6]	C[6]	N[6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:N[6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]C[6])(C[5]N[5]O)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6]C)(COO)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6a]C[6])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6]C)(COO){1|N<3>,1|O<1>,5|C<3>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,1|O<1>,2|H<1>,7|C<3>}	107.5850	0.000	1	107.5850	0.000	1	107.5850	0.000	1	107.5850	0.000	1	112.3858	4.787	24	111.4525	12.603	33
474	762	856	6:SP3_SP2_SP2	C[5,6]	C[6]	N[6]	3:4:3:3:	3:4:1:	4:4:3:	C[6]-3:C[5]-4:C[5]-3:N[6]-3:	C[5a,6]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6](C[6]C[5a,6]H)(C[5]C[5]HH)(C[5]N[5]O)(N[6]C[6]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]2N[6])(H)	N[6](C[5,6]C[5]2C[6])(C[6]C[5a,6]HH)(CCO)	C[5,6](C[6]C[5a,6]H)(C[5]C[5]HH)(C[5]N[5]O)(N[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]2N[6])(H){1|O<1>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	N[6](C[5,6]C[5]2C[6])(C[6]C[5a,6]HH)(CCO){1|C<3>,1|C<4>,1|O<1>,2|N<3>,3|H<1>}	115.1000	0.000	1	115.1000	0.000	1	115.1000	0.000	1	115.1000	0.000	1	112.3858	4.787	24	111.4525	12.603	33
474	762	856	6:SP3_SP2_SP2	C[5,6]	C[6]	N[6]	4:2:3:3:	4:3:1:	4:3:1:	C[5]-4:O[5]-2:C[6]-3:N[6]-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]N[6]O)(N[6]C[6]H)	C[6](C[5,6]C[5]N[6]O[5])(N[6]C[6]H)(O)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(H)	C[5,6](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[6]N[6]O)(N[6]C[6]H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5]N[6]O[5])(N[6]C[6]H)(O){3|H<1>,4|C<3>}	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	112.6460	1.072	2	112.6460	1.149	2	112.6460	1.149	2	111.9583	1.993	3	112.3858	4.787	24	111.4525	12.603	33
474	762	856	6:SP3_SP2_SP2	C[5,6]	C[6]	N[6]	4:2:3:3:	4:3:1:	4:3:1:	C[5]-4:S[5]-2:C[6]-3:N[6]-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5]C[5,6a]HH)(S[5]C[5,6a])(C[6]N[6]O)(N[6]C[6]H)	C[6](C[5,6]C[5]N[6]S[5])(N[6]C[6]H)(O)	N[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]O)(H)	C[5,6](C[5]C[5,6a]HH)(S[5]C[5,6a])(C[6]N[6]O)(N[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5]N[6]S[5])(N[6]C[6]H)(O){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	N[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]O)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	110.5830	0.000	1	110.5830	0.000	1	110.5830	0.000	1	111.9583	1.993	3	112.3858	4.787	24	111.4525	12.603	33
474	762	856	6:SP3_SP2_SP2	C[5,6]	C[6]	N[6]	4:3:3:2:	4:3:1:	4:3:4:	C[5]-4:C[6]-3:N[6]-3:O[5]-2:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5]C[5]HH)(C[6]N[6]O)(N[6]C[6]C)(O[5]N[5])	C[6](C[5,6]C[5]N[6]O[5])(N[6]C[5,6]C)(O)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(CH3)	C[5,6](C[5]C[5]HH)(C[6]N[6]O)(N[6]C[6]C)(O[5]N[5]){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5]N[6]O[5])(N[6]C[5,6]C)(O){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(CH3){1|O<1>,1|O<2>,2|C<4>,2|H<1>,2|N<3>}	114.7430	0.000	1	114.7430	0.000	1	114.7430	0.000	1	114.7430	0.000	1	112.3858	4.787	24	111.4525	12.603	33
474	762	856	6:SP3_SP2_SP2	C[5,6]	C[6]	N[6]	4:3:3:3:	3:4:1:	4:4:3:	C[5]-4:N[5]-3:N[6]-3:C[6]-3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[6]-4:C[6a]-3:	C[5,6](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(N[6]C[6a]C[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[5]N[6])(O)	N[6](C[5,6]C[5]C[6]N[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2)	C[5,6](C[5]C[6a]C[5]H)(N[5]C[6a]N[5])(N[6]C[6a]C[6])(C[6]C[6,6a]O){2|H<1>,9|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[5]N[6])(O){1|C<4>,1|N<2>,2|H<1>,6|C<3>}	N[6](C[5,6]C[5]C[6]N[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2){1|N<2>,1|O<1>,3|H<1>,7|C<3>}	110.5750	0.000	1	110.5750	0.000	1	110.5750	0.000	1	110.5750	0.000	1	112.3858	4.787	24	111.4525	12.603	33
474	762	856	6:SP3_SP2_SP2	C[5,6]	C[6]	N[6]	4:4:3:3:	4:3:1:	4:3:1:	C[5]-4:C[5]-4:C[6]-3:N[6]-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5]C[5,6a]HH)2(C[6]N[6]O)(N[6]C[6]H)	C[6](C[5,6]C[5]2N[6])(N[6]C[5,6]H)(O)	N[6](C[5,6]C[5]2C[6])(C[6]C[5,6]O)(H)	C[5,6](C[5]C[5,6a]HH)2(C[6]N[6]O)(N[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5]2N[6])(N[6]C[5,6]H)(O){2|C<4>,3|C<3>,5|H<1>}	N[6](C[5,6]C[5]2C[6])(C[6]C[5,6]O)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	111.8710	0.701	4	111.8710	0.492	4	111.8335	0.383	8	111.8335	0.383	8	112.3858	4.787	24	111.4525	12.603	33
474	762	856	6:SP3_SP2_SP2	C[5,6]	C[6]	N[6]	4:4:3:3:	4:3:1:	4:3:1:	C[5]-4:C[5]-4:C[6]-3:N[6]-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5]C[5,6a]HH)2(C[6]N[6]O)(N[6]C[6]H)	C[6](C[5,6]C[5]2N[6])(N[6]C[6]H)(O)	N[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H)	C[5,6](C[5]C[5,6a]HH)2(C[6]N[6]O)(N[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5]2N[6])(N[6]C[6]H)(O){1|C<4>,3|C<3>,6|H<1>}	N[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	112.0003	0.590	3	112.0003	0.349	3	111.8335	0.383	8	111.8335	0.383	8	112.3858	4.787	24	111.4525	12.603	33
474	762	856	6:SP3_SP2_SP2	C[5,6]	C[6]	N[6]	4:4:3:3:	4:3:1:	4:3:1:	C[5]-4:C[5]-4:C[6]-3:N[6]-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5]C[5]HH)(C[5]N[5]HH)(C[6]N[6]O)(N[6]C[6]H)	C[6](C[5,6]C[5]2N[6])(N[6]C[6]H)(O)	N[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H)	C[5,6](C[5]C[5]HH)(C[5]N[5]HH)(C[6]N[6]O)(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5]2N[6])(N[6]C[6]H)(O){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	N[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H){1|O<1>,2|C<4>,2|N<3>,5|H<1>}	111.1830	0.000	1	111.1830	0.000	1	111.8335	0.383	8	111.8335	0.383	8	112.3858	4.787	24	111.4525	12.603	33
474	762	856	6:SP3_SP2_SP3	C[5,6]	C[6]	N[6]	3:3:3:2:	4:3:1:	4:3:3:	N[6]-3:C[6]-3:C[5]-3:O[5]-2:	C[5,6]-4:N[5,6]-3:O-1:	C[5,6]-4:C[6]-3:C[6a]-3:	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5])	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(C[6a]C[6a]2)	C[5,6](N[6]C[6a]C[6])(C[6]N[5,6]O)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5]N[6]O[5])(N[5,6]C[5,6]C[5])(O){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]O)(C[6a]C[6a]2){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	113.3840	0.277	2	113.3840	0.077	2	113.3840	0.077	2	113.3840	0.077	2	112.4520	1.269	4	112.4520	1.269	4
474	762	856	6:SP3_SP2_SP3	C[5,6]	C[6]	N[6]	3:3:3:3:	4:3:1:	4:3:1:	C[5]-3:C[6]-3:N[5]-3:N[6]-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:N[6]-3:H-1:	C[5,6](C[5]N[5]O)(C[6]N[6]O)(N[5]C[5]C)(N[6]N[6]H)	C[6](C[5,6]C[5]N[5]N[6])(N[6]C[6]C)(O)	N[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]C)(H)	C[5,6](C[5]N[5]O)(C[6]N[6]O)(N[5]C[5]C)(N[6]N[6]H){1|C<3>,1|O<1>,3|C<4>}	C[6](C[5,6]C[5]N[5]N[6])(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,2|N<3>,2|O<1>}	N[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]C)(H){1|C<3>,1|C<4>,2|N<3>,3|O<1>}	111.8780	0.000	1	111.8780	0.000	1	111.8780	0.000	1	111.8780	0.000	1	112.4520	1.269	4	112.4520	1.269	4
474	762	856	6:SP3_SP2_SP3	C[5,6]	C[6]	N[6]	4:3:3:2:	3:4:1:	4:4:3:	C[5]-4:N[6]-3:C[6]-3:O[5]-2:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C[6]-4:C[6a]-3:	C[5,6](C[5]C[6a]C[5]H)(N[6]C[6a]C[6])(C[6]C[6,6a]O)(O[5]N[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]O[5])(O)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2)	C[5,6](C[5]C[6a]C[5]H)(N[6]C[6a]C[6])(C[6]C[6,6a]O)(O[5]N[5]){2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]O[5])(O){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2){1|N<2>,1|O<1>,3|H<1>,6|C<3>}	111.1620	0.000	1	111.1620	0.000	1	111.1620	0.000	1	111.1620	0.000	1	112.4520	1.269	4	112.4520	1.269	4
474	762	880	0:SP3_SP2_SP3	C[5,6]	C[6]	Si	4:4:3:4:	4:3:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-3:Si-4:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C-4:C-4:C-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]N[6]O)(SiC3)	C[6](C[5,6]C[5,6]C[5]Si)(N[6]C[6a]C[6])(O)	Si(C[5,6]C[5,6]C[5]C[6])(CH3)3	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]N[6]O)(SiC3){2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]Si)(N[6]C[6a]C[6])(O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	Si(C[5,6]C[5,6]C[5]C[6])(CH3)3	110.9305	0.834	4	110.9305	0.696	4	110.9305	0.696	4	110.9305	0.696	4	110.9305	0.696	4	110.9305	0.696	4
474	762	887	0:SP3_SP2_SP3	C[5,6,6]	C[6]	S	4:4:3:3:	4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:S-3:	C[5,6,6]-4:C[6]-3:O-1:	C[5,6,6]-4:C[6a]-3:O-1:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]C)(C[6]C[6]O)(SC[6a]O)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]S)(C[6]C[6]O)(O)	S(C[5,6,6]C[5,5,6]C[5,6,6]C[6])(C[6a]C[6a]2)(O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]C)(C[6]C[6]O)(SC[6a]O){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]S)(C[6]C[6]O)(O){2|C<3>,2|H<1>,3|C<4>}	S(C[5,6,6]C[5,5,6]C[5,6,6]C[6])(C[6a]C[6a]2)(O)	104.2810	0.000	1	104.2810	0.000	1	104.2810	0.000	1	104.2810	0.000	1	104.2810	0.000	1	104.2810	0.000	1
474	762	888	0:SP3_SP2_SP2	C[5,3x6]	C[6,6]	Se[5]	3:3:3:3:	4:3:1:	4:3:1:	C[6,6,6a]-3:C[5,6,6]-3:C[6,6]-3:Se[5]-3:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[5]-3:O-1:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]H)(Se[5]C[5]O)	C[6,6](C[5,3x6]C[6,6,6a]C[5,6,6]Se[5])(C[6,6]C[3x6]H)(H)	Se[5](C[5,3x6]C[6,6,6a]C[5,6,6]C[6,6])(C[5]C[6a]C[5])(O)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]H)(Se[5]C[5]O){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[5,3x6]C[6,6,6a]C[5,6,6]Se[5])(C[6,6]C[3x6]H)(H){1|H<1>,1|O<1>,5|C<3>}	Se[5](C[5,3x6]C[6,6,6a]C[5,6,6]C[6,6])(C[5]C[6a]C[5])(O){2|H<1>,6|C<3>}	113.6290	0.000	1	113.6290	0.000	1	113.6290	0.000	1	113.6290	0.000	1	113.6290	0.000	1	113.6290	0.000	1
474	762	891	0:SP3_SP2_SP2	C[5,6]	C[6]	S[5]	2:2:3:3:	4:3:1:	3:4:	O[5]-2:S[5]-2:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](O[5]C[5,6a])(S[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]C)(H)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])	C[5,6](O[5]C[5,6a])(S[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O){2|C<4>,3|C<3>}	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5]){1|O<1>,2|H<1>,4|C<3>}	110.1535	2.995	2	110.1535	8.968	2	110.1535	8.968	2	109.2385	5.228	4	109.3976	6.093	17	109.3976	6.093	17
474	762	891	0:SP3_SP2_SP2	C[5,6]	C[6]	S[5]	2:2:3:3:	4:3:1:	3:4:	O[5]-2:S[5]-2:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](O[5]C[5,6a])(S[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]C)(O)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5])	C[5,6](O[5]C[5,6a])(S[5]C[5,6a])(C[6]C[6]H)(C[6]C[6]O){2|C<4>,3|C<3>}	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]2O[5]){1|O<1>,2|H<1>,4|C<3>}	108.3235	1.835	2	108.3235	3.367	2	108.3235	3.367	2	109.2385	5.228	4	109.3976	6.093	17	109.3976	6.093	17
474	762	891	0:SP3_SP2_SP2	C[5,6]	C[6]	S[5]	2:3:2:2:	4:2:1:	4:3:	S[6]-2:C[6]-3:S[5]-2:S[5]-2:	C[5,6]-4:S[6]-2:O-1:	C[5,6]-4:C[5]-3:	C[5,6](S[6]C[5,6,6])(C[6]S[6]O)(S[5]C[5])2	C[6](C[5,6]S[5]2S[6])(S[6]C[5,6,6])(O)	S[5](C[5,6]C[6]S[5]S[6])(C[5]C[5]C)	C[5,6](S[6]C[5,6,6])(C[6]S[6]O)(S[5]C[5])2{1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]S[5]2S[6])(S[6]C[5,6,6])(O){1|H<1>,2|C<3>,2|C<4>}	S[5](C[5,6]C[6]S[5]S[6])(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|S<2>}	110.3580	1.160	2	110.3580	1.345	2	110.3580	1.345	2	110.3580	1.345	2	109.3976	6.093	17	109.3976	6.093	17
474	762	891	0:SP3_SP2_SP2	C[5,6]	C[6]	S[5]	3:2:2:3:	4:2:4:	3:4:	N[5]-3:O[6]-2:S[5]-2:C[6]-3:	C[5,6]-4:N[6]-2:C-4:	C[5,6a]-3:C[5,6]-4:	C[5,6](N[5]C[5,6a]C)(O[6]C[6,6a])(S[5]C[5,6a])(C[6]N[6]C)	C[6](C[5,6]N[5]O[6]S[5])(N[6]C[6,6a])(CH3)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6])	C[5,6](N[5]C[5,6a]C)(O[6]C[6,6a])(S[5]C[5,6a])(C[6]N[6]C){4|C<3>}	C[6](C[5,6]N[5]O[6]S[5])(N[6]C[6,6a])(CH3){1|C<4>,4|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]O[6]){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	107.2090	0.716	2	107.2090	0.512	2	107.2090	0.512	2	107.2090	0.512	2	109.3976	6.093	17	109.3976	6.093	17
474	762	891	0:SP3_SP2_SP2	C[5,6]	C[6]	S[5]	3:4:3:2:	4:3:1:	4:3:	C[6]-3:C[6]-4:N[5]-3:S[5]-2:	C[5,6]-4:C[6,6]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[6]C[6,6]H)(C[6]C[6]HH)(N[5]N[5]C)(S[5]C[5])	C[6](C[5,6]C[6]N[5]S[5])(C[6,6]C[6,6]C[6])(H)	S[5](C[5,6]C[6]2N[5])(C[5]N[5]N)	C[5,6](C[6]C[6,6]H)(C[6]C[6]HH)(N[5]N[5]C)(S[5]C[5]){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[6]N[5]S[5])(C[6,6]C[6,6]C[6])(H){1|N<2>,2|C<3>,3|C<4>,5|H<1>}	S[5](C[5,6]C[6]2N[5])(C[5]N[5]N){1|C<4>,2|C<3>,3|H<1>}	109.1810	0.000	1	109.1810	0.000	1	109.1810	0.000	1	109.1810	0.000	1	109.3976	6.093	17	109.3976	6.093	17
474	762	891	0:SP3_SP2_SP2	C[5,6]	C[6]	S[5]	4:2:3:1:	4:4:1:	3:4:	C[5,6]-4:S[5]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(S[5]C[5,6a])(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(O)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6]C)(S[5]C[5,6a])(C[6]C[6]O)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(O){2|C<3>,2|C<4>,2|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H){1|Br<1>,1|O<1>,2|C<3>,3|C<4>}	108.2400	0.000	1	112.8150	41.861	2	112.8150	41.861	2	112.8150	41.861	2	109.3976	6.093	17	109.3976	6.093	17
474	762	891	0:SP3_SP2_SP2	C[5,6]	C[6]	S[5]	4:2:3:1:	4:4:1:	3:4:	C[5,6]-4:S[5]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(S[5]C[5,6a])(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(O)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6]C)(S[5]C[5,6a])(C[6]C[6]O)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(O){2|C<3>,2|C<4>,2|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H){1|O<1>,2|C<3>,4|C<4>}	117.3900	0.000	1	112.8150	41.861	2	112.8150	41.861	2	112.8150	41.861	2	109.3976	6.093	17	109.3976	6.093	17
474	762	891	0:SP3_SP2_SP2	C[5,6]	C[6]	S[5]	4:2:3:3:	4:3:1:	3:4:	C[5]-4:S[5]-2:C[6]-3:N[6]-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6a]-3:C[5,6]-4:	C[5,6](C[5]C[5,6a]HH)(S[5]C[5,6a])(C[6]N[6]O)(N[6]C[6]H)	C[6](C[5,6]C[5]N[6]S[5])(N[6]C[6]H)(O)	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])	C[5,6](C[5]C[5,6a]HH)(S[5]C[5,6a])(C[6]N[6]O)(N[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5]N[6]S[5])(N[6]C[6]H)(O){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6]){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	108.1170	0.000	1	108.1170	0.000	1	108.1170	0.000	1	108.1170	0.000	1	109.3976	6.093	17	109.3976	6.093	17
474	762	891	0:SP3_SP2_SP2	C[5,6]	C[6]	S[5]	4:3:2:1:	4:3:1:	4:3:	C[5,5,6]-4:C[6]-3:S[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]H)(S[5]C[5])(H)	C[6](C[5,6]C[5,5,6]S[5]H)(C[6]C[6]O)(H)	S[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]C)	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]H)(S[5]C[5])(H){1|B<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	C[6](C[5,6]C[5,5,6]S[5]H)(C[6]C[6]O)(H){1|H<1>,1|N<3>,3|C<3>}	S[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]C){1|B<4>,1|H<1>,3|C<3>}	109.1265	0.490	2	109.1265	0.240	2	109.1265	0.240	2	108.9486	0.129	5	109.3976	6.093	17	109.3976	6.093	17
474	762	891	0:SP3_SP2_SP2	C[5,6]	C[6]	S[5]	4:3:2:1:	4:3:1:	4:3:	C[5,6]-4:C[6]-3:S[5]-2:H-1:	C[5,6]-4:C[6]-3:Cl-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]Cl)(S[5]C[5])(H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]Cl)(Cl)	S[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]Cl)(S[5]C[5])(H){2|Cl<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]Cl)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	S[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O){1|Cl<1>,1|H<1>,3|C<3>}	108.6690	0.000	1	108.6690	0.000	1	108.6690	0.000	1	108.9486	0.129	5	109.3976	6.093	17	109.3976	6.093	17
474	762	891	0:SP3_SP2_SP2	C[5,6]	C[6]	S[5]	4:3:2:1:	4:3:1:	4:3:	C[5,6]-4:C[6]-3:S[5]-2:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6a]N[5]C)(C[6]N[6]O)(S[5]C[5])(H)	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[6,6a]H)(O)	S[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]C)	C[5,6](C[5,6]C[6,6a]N[5]C)(C[6]N[6]O)(S[5]C[5])(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[6,6a]H)(O){1|C<4>,1|N<2>,3|C<3>}	S[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	108.9105	0.360	2	108.9105	0.130	2	108.9105	0.130	2	108.9486	0.129	5	109.3976	6.093	17	109.3976	6.093	17
474	762	891	0:SP3_SP2_SP3	C[5,5,6,6]	C[6]	S[5,6]	3:4:2:3:	4:3:1:	4:4:	N[5,6,6]-3:C[5,5]-4:S[5,6]-2:C[6]-3:	C[5,5,6,6]-4:N[5,6]-3:O-1:	C[5,5,6,6]-4:C[5,6,6]-4:	C[5,5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5,5]C[5,5,6,6]HH)(S[5,6]C[5,6,6])(C[6]N[5,6]O)	C[6](C[5,5,6,6]N[5,6,6]C[5,5]S[5,6])(N[5,6]C[5,6]2)(O)	S[5,6](C[5,5,6,6]N[5,6,6]C[5,5]C[6])(C[5,6,6]C[5,5,6,6]C[6]H)	C[5,5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5,5]C[5,5,6,6]HH)(S[5,6]C[5,6,6])(C[6]N[5,6]O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,5,6,6]N[5,6,6]C[5,5]S[5,6])(N[5,6]C[5,6]2)(O){1|C<3>,1|S<2>,3|H<1>,6|C<4>}	S[5,6](C[5,5,6,6]N[5,6,6]C[5,5]C[6])(C[5,6,6]C[5,5,6,6]C[6]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	110.9040	0.000	1	110.3315	0.656	2	110.3315	0.656	2	110.3315	0.656	2	110.3315	0.656	2	110.1106	5.203	23
474	762	891	0:SP3_SP2_SP3	C[5,5,6,6]	C[6]	S[5,6]	3:4:2:3:	4:3:1:	4:4:	N[5,6,6]-3:C[5,5]-4:S[5,6]-2:C[6]-3:	C[5,5,6,6]-4:N[5,6]-3:O-1:	C[5,5,6,6]-4:C[5,6,6]-4:	C[5,5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5,5]C[5,5,6,6]HH)(S[5,6]C[5,6,6])(C[6]N[5,6]O)	C[6](C[5,5,6,6]N[5,6,6]C[5,5]S[5,6])(N[5,6]C[5,6]2)(O)	S[5,6](C[5,5,6,6]N[5,6,6]C[5,5]C[6])(C[5,6,6]C[5,5,6,6]C[6]H)	C[5,5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5,5]C[5,5,6,6]HH)(S[5,6]C[5,6,6])(C[6]N[5,6]O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,5,6,6]N[5,6,6]C[5,5]S[5,6])(N[5,6]C[5,6]2)(O){1|S<2>,2|C<3>,3|H<1>,5|C<4>}	S[5,6](C[5,5,6,6]N[5,6,6]C[5,5]C[6])(C[5,6,6]C[5,5,6,6]C[6]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	109.7590	0.000	1	110.3315	0.656	2	110.3315	0.656	2	110.3315	0.656	2	110.3315	0.656	2	110.1106	5.203	23
474	762	891	0:SP3_SP2_SP3	C[5,6,6]	C[6]	S[5,6]	4:2:3:1:	4:3:1:	4:4:	C[5,5,6,6]-4:S[5,6]-2:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(S[5,6]C[5,5,6,6])(C[6]C[6]H)(H)	C[6](C[5,6,6]C[5,5,6,6]S[5,6]H)(C[6]C[6]H)(H)	S[5,6](C[5,5,6,6]N[5,6,6]C[5,5]C[6])(C[5,6,6]C[5,5,6,6]C[6]H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(S[5,6]C[5,5,6,6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[5,6,6]C[5,5,6,6]S[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|O<2>,3|C<4>}	S[5,6](C[5,5,6,6]N[5,6,6]C[5,5]C[6])(C[5,6,6]C[5,5,6,6]C[6]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	110.4805	0.402	2	110.4805	0.162	2	110.4805	0.162	2	110.4805	0.162	2	110.4805	0.162	2	110.1106	5.203	23
474	762	891	0:SP3_SP2_SP3	C[5,6]	C[6,6]	S[5]	3:4:2:2:	4:4:3:	4:4:	C[6,6]-3:C[6]-4:O[5]-2:S[5]-2:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5])(S[5]C[5])	C[6,6](C[5,6]C[6]O[5]S[5])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H)	S[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5])(S[5]C[5]){3|C<4>,8|H<1>}	C[6,6](C[5,6]C[6]O[5]S[5])(C[6,6]C[5,6]C[6]H)(C[6]C[6]H){1|C<3>,4|C<4>,7|H<1>}	S[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	109.8300	0.000	1	109.8300	0.000	1	111.3230	4.167	3	111.3230	4.167	3	111.3230	4.167	3	110.1106	5.203	23
474	762	891	0:SP3_SP2_SP3	C[5,6]	C[6,6]	S[5]	3:4:2:2:	4:4:3:	4:4:	C[6,6]-3:C[6]-4:O[5]-2:S[5]-2:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5])(S[5]C[5])	C[6,6](C[5,6]C[6]O[5]S[5])(C[6,6]C[6]2H)(C[6]C[6]H)	S[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5])(S[5]C[5]){1|C<3>,2|C<4>,8|H<1>}	C[6,6](C[5,6]C[6]O[5]S[5])(C[6,6]C[6]2H)(C[6]C[6]H){2|C<3>,3|C<4>,6|H<1>}	S[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	113.6490	0.000	1	113.6490	0.000	1	111.3230	4.167	3	111.3230	4.167	3	111.3230	4.167	3	110.1106	5.203	23
474	762	891	0:SP3_SP2_SP3	C[5,6]	C[6,6]	S[5]	3:4:2:2:	4:4:3:	4:4:	C[6,6]-3:C[6]-4:O[5]-2:S[5]-2:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5])(S[5]C[5])	C[6,6](C[5,6]C[6]O[5]S[5])(C[6,6]N[5a,6]C[6]H)(C[6]C[6]H)	S[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH)	C[5,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[5]C[5])(S[5]C[5]){1|N<3>,2|C<4>,8|H<1>}	C[6,6](C[5,6]C[6]O[5]S[5])(C[6,6]N[5a,6]C[6]H)(C[6]C[6]H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	S[5](C[5,6]C[6,6]C[6]O[5])(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	110.4900	0.000	1	110.4900	0.000	1	111.3230	4.167	3	111.3230	4.167	3	111.3230	4.167	3	110.1106	5.203	23
474	762	891	0:SP3_SP2_SP3	C[5,6]	C[6]	S[5]	3:3:2:1:	4:3:1:	4:4:	N[5,6]-3:C[6]-3:S[5]-2:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C[5]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]O)(S[5]C[5])(H)	C[6](C[5,6]N[5,6]S[5]H)(N[6]C[6]C)(O)	S[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]O)(S[5]C[5])(H){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]S[5]H)(N[6]C[6]C)(O){1|C<3>,1|H<1>,3|C<4>}	S[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	111.1355	0.414	2	111.1355	0.171	2	111.1355	0.171	2	111.1355	0.171	2	109.8380	7.063	15	110.1106	5.203	23
474	762	891	0:SP3_SP2_SP3	C[5,6]	C[6]	S[5]	3:3:2:2:	4:3:1:	4:4:	C[6]-3:C[6]-3:S[5]-2:S[5]-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[4,6]O)(C[6]C[6]H)(S[5]C[5])2	C[6](C[5,6]C[6]S[5]2)(C[6]C[4,6]H)(H)	S[5](C[5,6]C[6]2S[5])(C[5]C[5]HH)	C[5,6](C[6]C[4,6]O)(C[6]C[6]H)(S[5]C[5])2{2|C<4>,6|H<1>}	C[6](C[5,6]C[6]S[5]2)(C[6]C[4,6]H)(H){1|H<1>,1|O<1>,4|C<4>}	S[5](C[5,6]C[6]2S[5])(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	109.6720	0.811	4	109.6720	0.658	4	109.6720	0.658	4	109.6720	0.658	4	109.8380	7.063	15	110.1106	5.203	23
474	762	891	0:SP3_SP2_SP3	C[5,6]	C[6]	S[5]	3:3:2:2:	4:4:1:	4:4:	C[6]-3:C[6]-3:S[5]-2:S[5]-2:	C[4,6]-4:C[5,6]-4:O-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[4,6]O)(C[6]C[6]H)(S[5]C[5])2	C[6](C[4,6]C[4,5]C[4,6]H)(C[5,6]C[6]S[5]2)(O)	S[5](C[5,6]C[6]2S[5])(C[5]C[5]HH)	C[5,6](C[6]C[4,6]O)(C[6]C[6]H)(S[5]C[5])2{2|C<4>,6|H<1>}	C[6](C[4,6]C[4,5]C[4,6]H)(C[5,6]C[6]S[5]2)(O){2|H<1>,3|C<3>,3|C<4>}	S[5](C[5,6]C[6]2S[5])(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	108.3185	4.822	2	108.3185	23.249	2	108.3185	23.249	2	108.7202	22.368	4	109.8380	7.063	15	110.1106	5.203	23
474	762	891	0:SP3_SP2_SP3	C[5,6]	C[6]	S[5]	3:3:2:2:	4:4:1:	4:4:	C[6]-3:C[6]-3:S[5]-2:S[5]-2:	C[5,6]-4:C[4,6]-4:O-1:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[4,6]O)(C[6]C[6]H)(S[5]C[5])2	C[6](C[5,6]C[6]S[5]2)(C[4,6]C[4,6]2H)(O)	S[5](C[5,6]C[6]2S[5])(C[5]C[5]HH)	C[5,6](C[6]C[4,6]O)(C[6]C[6]H)(S[5]C[5])2{2|C<4>,6|H<1>}	C[6](C[5,6]C[6]S[5]2)(C[4,6]C[4,6]2H)(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	S[5](C[5,6]C[6]2S[5])(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	109.1220	6.573	2	109.1220	43.208	2	109.1220	43.208	2	108.7202	22.368	4	109.8380	7.063	15	110.1106	5.203	23
474	762	891	0:SP3_SP2_SP3	C[5,6]	C[6]	S[5]	4:3:2:2:	4:3:3:	4:4:	C[6]-4:C[6]-3:S[5]-2:S[5]-2:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]CN)(C[6]C[6]C)(S[5]C[5])2	C[6](C[5,6]C[6]S[5]2)(C[6]C[6]O)(CNO)	S[5](C[5,6]C[6]2S[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]CN)(C[6]C[6]C)(S[5]C[5])2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[6]S[5]2)(C[6]C[6]O)(CNO){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	S[5](C[5,6]C[6]2S[5])(C[5]C[5]HH){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	110.7450	4.216	2	110.7450	17.773	2	110.7450	17.773	2	110.7450	17.773	2	109.8380	7.063	15	110.1106	5.203	23
474	762	891	0:SP3_SP2_SP3	C[5,6]	C[6]	S[5]	4:3:2:2:	4:3:4:	4:4:	C[6]-4:C[6]-3:O[5]-2:S[5]-2:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)(C[6]C[6]C)(O[5]C[5])(S[5]C[5])	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]C)(CH3)	S[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)(C[6]C[6]C)(O[5]C[5])(S[5]C[5]){2|C<4>,6|H<1>}	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]C)(CH3){3|C<4>,4|H<1>}	S[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	110.3070	1.119	2	110.3070	1.251	2	110.3070	1.251	2	110.3070	1.251	2	109.8380	7.063	15	110.1106	5.203	23
474	762	891	0:SP3_SP2_SP3	C[5,6]	C[6]	S[5]	4:3:2:2:	4:4:3:	4:4:	C[6]-4:C[6]-3:O[5]-2:S[5]-2:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:C[5]-4:	C[5,6](C[6]C[6]HH)(C[6]C[6]C)(O[5]C[5])(S[5]C[5])	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]CH)(CCH)	S[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)	C[5,6](C[6]C[6]HH)(C[6]C[6]C)(O[5]C[5])(S[5]C[5]){2|C<4>,7|H<1>}	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]CH)(CCH){3|C<4>,4|H<1>}	S[5](C[5,6]C[6]2O[5])(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	109.6260	0.000	1	109.6260	0.000	1	109.6260	0.000	1	109.6260	0.000	1	109.8380	7.063	15	110.1106	5.203	23
474	762	891	0:SP3_SP2_SP3	C[5]	C[6]	S[5]	3:3:2:1:	4:3:3:	4:4:	C[6]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:C[6]-3:N[6]-3:	C[5]-4:C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]H)(S[5]C[5])(H)	C[6](C[5]N[5]S[5]H)(C[6]C[6]C)(N[6]C[6]H)	S[5](C[5]C[6]N[5]H)(C[5]C[5]HH)	C[5](C[6]C[6]N[6])(N[5]C[5]H)(S[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5]N[5]S[5]H)(C[6]C[6]C)(N[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	S[5](C[5]C[6]N[5]H)(C[5]C[5]HH){1|C<3>,1|N<3>,3|H<1>}	109.3800	0.000	1	109.3800	0.000	1	109.3800	0.000	1	109.3800	0.000	1	109.3800	0.000	1	110.1106	5.203	23
474	762	893	0:SP3_SP2_SP2	C[5,6,6]	C[6]	O	4:4:3:2:	4:3:1:	4:3:	C[5,6,6]-4:C[5,6]-4:C[6]-3:O-2:	C[5,6,6]-4:C[6]-3:O-1:	C[5,6,6]-4:C-3:	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)(OC)	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]H)(O)	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(CHO)	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)(OC){1|I<1>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]H)(O){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(CHO)	110.0370	0.000	1	110.0370	0.000	1	110.0370	0.000	1	110.0370	0.000	1	110.0370	0.000	1	110.1993	0.043	4
474	762	893	0:SP3_SP2_SP2	C[5,6]	C[6]	O	3:4:3:2:	4:3:1:	4:3:	N[5,6]-3:C[5]-4:C[6]-3:O-2:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C-3:	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HO)(C[6]N[6]O)(OC)	C[6](C[5,6]N[5,6]C[5]O)(N[6]C[6]C)(O)	O(C[5,6]N[5,6]C[5]C[6])(CCO)	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HO)(C[6]N[6]O)(OC){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]N[5,6]C[5]O)(N[6]C[6]C)(O){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	O(C[5,6]N[5,6]C[5]C[6])(CCO)	110.1910	0.000	1	110.1910	0.000	1	110.1910	0.000	1	110.1910	0.000	1	110.2533	0.048	3	110.1993	0.043	4
474	762	893	0:SP3_SP2_SP2	C[5,6]	C[6]	O	4:2:3:2:	4:3:1:	4:3:	C[5,6,6]-4:O[5]-2:C[6]-3:O-2:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C-3:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(O[5]C[5,6])(C[6]C[6]O)(OC)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]H)(O)	O(C[5,6]C[5,6,6]C[6]O[5])(CCO)	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(O[5]C[5,6])(C[6]C[6]O)(OC){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]H)(O){1|C<3>,2|C<4>,2|H<1>}	O(C[5,6]C[5,6,6]C[6]O[5])(CCO)	110.0730	0.000	1	110.0730	0.000	1	110.0730	0.000	1	110.0730	0.000	1	110.2533	0.048	3	110.1993	0.043	4
474	762	893	0:SP3_SP2_SP2	C[5,6]	C[6]	O	4:4:3:2:	4:3:1:	4:3:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C-3:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(OC)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)	O(C[5,6]C[5,6]C[5]C[6])(CC[6a]O)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(OC){1|C<3>,1|S<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(CC[6a]O)	110.4960	0.000	1	110.4960	0.000	1	110.4960	0.000	1	110.4960	0.000	1	110.2533	0.048	3	110.1993	0.043	4
474	762	893	0:SP3_SP2_SP3	C[5,3x6]	C[6,6]	O	4:4:3:2:	4:3:1:	4:1:	C[4,5,6,6]-4:C[5,5,3x6]-4:C[6,6]-3:O-2:	C[5,3x6]-4:N[6,6]-3:O-1:	C[5,3x6]-4:H-1:	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(C[6,6]N[6,6]O)(OH)	C[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]O)(N[6,6]C[5,3x6]H)(O)	O(C[5,3x6]C[4,5,6,6]C[5,5,3x6]C[6,6])(H)	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(C[6,6]N[6,6]O)(OH){4|C<4>,5|H<1>}	C[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]O)(N[6,6]C[5,3x6]H)(O){1|N<3>,2|H<1>,4|C<4>}	O(C[5,3x6]C[4,5,6,6]C[5,5,3x6]C[6,6])(H)	113.6310	0.000	1	112.4485	2.797	2	112.4485	2.797	2	112.4485	2.797	2	112.2067	1.574	3	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,3x6]	C[6,6]	O	4:4:3:2:	4:3:1:	4:1:	C[4,5,6,6]-4:C[5,5,3x6]-4:C[6,6]-3:O-2:	C[5,3x6]-4:N[6,6]-3:O-1:	C[5,3x6]-4:H-1:	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(C[6,6]N[6,6]O)(OH)	C[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]O)(N[6,6]C[5,3x6]H)(O)	O(C[5,3x6]C[4,5,6,6]C[5,5,3x6]C[6,6])(H)	C[5,3x6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]H)(C[5,5,3x6]C[5,5,3x6]C[3x5,6]H)(C[6,6]N[6,6]O)(OH){4|C<4>,5|H<1>}	C[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]O)(N[6,6]C[5,3x6]H)(O){1|O<2>,2|H<1>,4|C<4>}	O(C[5,3x6]C[4,5,6,6]C[5,5,3x6]C[6,6])(H)	111.2660	0.000	1	112.4485	2.797	2	112.4485	2.797	2	112.4485	2.797	2	112.2067	1.574	3	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,3x6]	C[6,6]	O	4:4:3:2:	4:3:4:	4:1:	C[3x5,6,6]-4:C[5,6,6]-4:C[6,6]-3:O-2:	C[5,3x6]-4:C[6,6]-3:C-4:	C[5,3x6]-4:H-1:	C[5,3x6](C[3x5,6,6]C[3x5,6,6]C[5,5]C[5])(C[5,6,6]C[5,6,6]O[5]C)(C[6,6]C[6,6]C)(OH)	C[6,6](C[5,3x6]C[3x5,6,6]C[5,6,6]O)(C[6,6]C[5,3x6]O)(CH3)	O(C[5,3x6]C[3x5,6,6]C[5,6,6]C[6,6])(H)	C[5,3x6](C[3x5,6,6]C[3x5,6,6]C[5,5]C[5])(C[5,6,6]C[5,6,6]O[5]C)(C[6,6]C[6,6]C)(OH){1|O<1>,2|C<3>,3|C<4>,4|O<2>}	C[6,6](C[5,3x6]C[3x5,6,6]C[5,6,6]O)(C[6,6]C[5,3x6]O)(CH3){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	O(C[5,3x6]C[3x5,6,6]C[5,6,6]C[6,6])(H)	111.7230	0.000	1	111.7230	0.000	1	111.7230	0.000	1	111.7230	0.000	1	112.2067	1.574	3	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,5,6]	C[6]	O	4:4:3:2:	4:3:1:	4:1:	C[3x5,6]-4:C[5,5,6,6]-4:C[6]-3:O-2:	C[5,5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:H-1:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)(OH)	C[6](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[6]C[6]C)(H)	O(C[5,5,6]C[5,5,6,6]C[3x5,6]C[6])(H)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5,5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)(OH){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[6](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	O(C[5,5,6]C[5,5,6,6]C[3x5,6]C[6])(H)	110.8880	0.000	1	110.8880	0.000	1	110.8880	0.000	1	109.0845	6.505	2	109.0845	6.505	2	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,5,6]	C[6]	O	4:4:3:2:	4:3:1:	4:1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-3:O-2:	C[5,5,6]-4:C[6,6a]-3:O-1:	C[5,5,6]-4:H-1:	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(C[6]C[6,6a]O)(OH)	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]O)(C[6,6a]C[6,6a]C[6a])(O)	O(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6])(H)	C[5,5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[5,6]2H)(C[6]C[6,6a]O)(OH){3|H<1>,4|C<3>}	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]O)(C[6,6a]C[6,6a]C[6a])(O){2|C<4>,3|H<1>,4|C<3>}	O(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6])(H)	107.2810	0.000	1	107.2810	0.000	1	107.2810	0.000	1	109.0845	6.505	2	109.0845	6.505	2	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6,6]	C[3x6]	O	3:3:3:2:	4:4:3:	4:2:	C[5,6,6a]-3:C[5,6,6a]-3:C[3x6]-3:O-2:	C[3x6]-4:C[5,6,6]-4:C[6,6]-3:	C[5,6,6]-4:O-2:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6]C[3x6]C[6,6])(OO)	C[3x6](C[3x6]C[3,5,6,6]C[3,3x6]N)(C[5,6,6]C[5,6,6a]2O)(C[6,6]C[5,6]O[6])	O(C[5,6,6]C[5,6,6a]2C[3x6])(OC)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6]C[3x6]C[6,6])(OO){1|N<4>,1|O<2>,3|C<4>,4|C<3>}	C[3x6](C[3x6]C[3,5,6,6]C[3,3x6]N)(C[5,6,6]C[5,6,6a]2O)(C[6,6]C[5,6]O[6]){3|C<4>,3|O<2>,5|C<3>}	O(C[5,6,6]C[5,6,6a]2C[3x6])(OC)	103.7200	0.000	1	103.7200	0.000	1	103.7200	0.000	1	103.7200	0.000	1	103.7200	0.000	1	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O	4:3:2:2:	4:4:1:	4:1:	C[5,4x6]-4:C[6,6]-3:O[5]-2:O-2:	C[5,6,6]-4:C[3x6]-4:O-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,4x6]C[3x6]2C[5])(C[6,6]C[3x6]O)(O[5]C[5,6])(OH)	C[6,6](C[5,6,6]C[5,4x6]O[5]O)(C[3x6]C[6,6]2C)(O)	O(C[5,6,6]C[5,4x6]C[6,6]O[5])(H)	C[5,6,6](C[5,4x6]C[3x6]2C[5])(C[6,6]C[3x6]O)(O[5]C[5,6])(OH){2|C<3>,3|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,4x6]O[5]O)(C[3x6]C[6,6]2C)(O){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	O(C[5,6,6]C[5,4x6]C[6,6]O[5])(H)	106.8940	0.000	1	106.8940	0.000	1	106.8940	0.000	1	106.8940	0.000	1	108.7351	5.576	12	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O	4:3:2:2:	4:4:1:	4:4:	C[5,3x6]-4:C[6,6]-3:N[5]-2:O-2:	C[5,6,6]-4:C[3x6]-4:O-1:	C[5,6,6]-4:C-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(N[5]C[5])(OC)	C[6,6](C[5,6,6]C[5,3x6]N[5]O)(C[3x6]C[6,6]2H)(O)	O(C[5,6,6]C[5,3x6]C[6,6]N[5])(CH3)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(N[5]C[5])(OC){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,3x6]N[5]O)(C[3x6]C[6,6]2H)(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O(C[5,6,6]C[5,3x6]C[6,6]N[5])(CH3)	107.2253	0.534	4	107.2253	0.285	4	107.2253	0.285	4	107.4696	0.401	7	108.7351	5.576	12	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O	4:3:2:2:	4:4:1:	4:4:	C[5,3x6]-4:C[6,6]-3:O[5]-2:O-2:	C[4x6]-4:C[5,6,6]-4:O-1:	C[5,6,6]-4:C-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])(OC)	C[6,6](C[4x6]C[3x6]C[5,6]C[6,6])(C[5,6,6]C[5,3x6]O[5]O)(O)	O(C[5,6,6]C[5,3x6]C[6,6]O[5])(CH3)	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])(OC){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[4x6]C[3x6]C[5,6]C[6,6])(C[5,6,6]C[5,3x6]O[5]O)(O){3|C<3>,3|H<1>,4|C<4>}	O(C[5,6,6]C[5,3x6]C[6,6]O[5])(CH3)	108.4500	0.000	1	108.4500	0.000	1	108.4500	0.000	1	107.4696	0.401	7	108.7351	5.576	12	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O	4:3:2:2:	4:4:1:	4:4:	C[5,3x6]-4:C[6,6]-3:O[5]-2:O-2:	C[5,6,6]-4:C[3x6]-4:O-1:	C[5,6,6]-4:C-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(O[5]C[5])(OC)	C[6,6](C[5,6,6]C[5,3x6]O[5]O)(C[3x6]C[6,6]2H)(O)	O(C[5,6,6]C[5,3x6]C[6,6]O[5])(CC[6a]CH)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(O[5]C[5])(OC){1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,3x6]O[5]O)(C[3x6]C[6,6]2H)(O){1|C<3>,2|C<4>,4|H<1>}	O(C[5,6,6]C[5,3x6]C[6,6]O[5])(CC[6a]CH)	107.0500	0.000	1	107.0500	0.000	1	107.4680	0.349	2	107.4696	0.401	7	108.7351	5.576	12	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O	4:3:2:2:	4:4:1:	4:4:	C[5,3x6]-4:C[6,6]-3:O[5]-2:O-2:	C[5,6,6]-4:C[3x6]-4:O-1:	C[5,6,6]-4:C-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(O[5]C[5])(OC)	C[6,6](C[5,6,6]C[5,3x6]O[5]O)(C[3x6]C[6,6]2H)(O)	O(C[5,6,6]C[5,3x6]C[6,6]O[5])(CH3)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(O[5]C[5])(OC){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[5,6,6]C[5,3x6]O[5]O)(C[3x6]C[6,6]2H)(O){1|C<4>,3|C<3>,3|H<1>}	O(C[5,6,6]C[5,3x6]C[6,6]O[5])(CH3)	107.8860	0.000	1	107.8860	0.000	1	107.4680	0.349	2	107.4696	0.401	7	108.7351	5.576	12	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O	4:3:3:2:	4:4:1:	4:4:	C[5,3x6]-4:C[6,6]-3:C[5]-3:O-2:	C[5,6,6]-4:C[3x6]-4:O-1:	C[5,6,6]-4:Si-4:	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[5]C[5]C)(OSi)	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[3x6]C[3x6]C[6,6]H)(O)	O(C[5,6,6]C[5,3x6]C[6,6]C[5])(SiC3)	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[5]C[5]C)(OSi){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[3x6]C[3x6]C[6,6]H)(O){1|C<3>,4|C<4>,4|H<1>}	O(C[5,6,6]C[5,3x6]C[6,6]C[5])(SiC3)	113.0120	0.000	1	113.0120	0.000	1	113.0120	0.000	1	113.0120	0.000	1	108.7351	5.576	12	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O	4:3:4:2:	4:4:3:	4:1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:O-2:	C[5,6,6]-4:C[3x6]-4:C-3:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[3x6]O[6,6]2H)(CHH)	O(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(C[5]C[5]HH)(OH){1|C<4>,3|H<1>,4|O<2>}	C[6,6](C[5,6,6]C[5,3x6]C[5]O)(C[3x6]O[6,6]2H)(CHH){3|C<4>,3|H<1>}	O(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)	108.7820	0.000	1	108.7820	0.000	1	108.7820	0.000	1	108.7820	0.000	1	108.7351	5.576	12	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O	4:4:3:2:	4:4:1:	4:1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:O-2:	C[6,6]-4:C[5,6,6]-4:O-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6]C[5,6,6]HH)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]O)(OH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2O)(O)	O(C[5,6,6]C[5,6]2C[6,6])(H)	C[5,6,6](C[5,6]C[5,6,6]HH)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]O)(OH){6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2O)(O){1|O<2>,4|C<4>,5|H<1>}	O(C[5,6,6]C[5,6]2C[6,6])(H)	113.6120	0.000	1	113.6120	0.000	1	113.6120	0.000	1	113.6120	0.000	1	108.7351	5.576	12	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6,6]	C[6,6]	O	4:4:3:2:	4:4:3:	4:1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:O-2:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2)(OH)	C[6,6](C[5,6,6]C[5,6]2O)(C[6]C[6]CH)(C[6]C[6]H)	O(C[5,6,6]C[5,6]2C[6,6])(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2)(OH){1|C<3>,4|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]2O)(C[6]C[6]CH)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	O(C[5,6,6]C[5,6]2C[6,6])(H)	110.2340	0.000	1	110.2340	0.000	1	110.2340	0.000	1	110.2340	0.000	1	108.7351	5.576	12	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6,6]	C[6]	O	4:4:3:2:	4:3:1:	4:1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:O-2:	C[5,6,6]-4:C[6,6]-3:O-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[5,6]C[5,5,6]HO)(C[6]C[6,6]O)(OH)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]O)(C[6,6]C[6,6]2)(O)	O(C[5,6,6]C[5,5,6,6]C[5,6]C[6])(H)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(C[5,6]C[5,5,6]HO)(C[6]C[6,6]O)(OH){1|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]O)(C[6,6]C[6,6]2)(O){2|H<1>,2|O<2>,6|C<4>}	O(C[5,6,6]C[5,5,6,6]C[5,6]C[6])(H)	108.7610	0.245	2	108.7610	0.060	2	108.7610	0.060	2	107.9405	2.744	4	108.6576	4.629	5	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6,6]	C[6]	O	4:4:3:2:	4:3:1:	4:1:	C[5,6,6]-4:C[5,6,6]-4:C[6]-3:O-2:	C[5,6,6]-4:C[6]-3:O-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6,6]C[5,6]C[6]C)(C[6]C[6]O)(OH)	C[6](C[5,6,6]C[5,6,6]2O)(C[6]C[6]H)(O)	O(C[5,6,6]C[5,6,6]2C[6])(H)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[5,6,6]C[5,6]C[6]C)(C[6]C[6]O)(OH){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]2O)(C[6]C[6]H)(O){1|C<3>,1|O<2>,5|C<4>}	O(C[5,6,6]C[5,6,6]2C[6])(H)	108.7750	0.000	1	108.7750	0.000	1	108.7750	0.000	1	107.9405	2.744	4	108.6576	4.629	5	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6,6]	C[6]	O	4:4:3:2:	4:3:1:	4:1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:O-2:	C[5,6,6]-4:C[6]-3:O-1:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)(OH)	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]H)(O)	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)(OH){1|I<1>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]H)(O){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	105.4650	0.000	1	105.4650	0.000	1	105.4650	0.000	1	107.9405	2.744	4	108.6576	4.629	5	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6,6]	C[6]	O	4:4:3:2:	4:3:2:	4:1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:O-2:	C[5,6,6]-4:C[6]-3:O-2:	C[5,6,6]-4:H-1:	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)(OH)	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]H)(OC)	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)(OH){1|C<3>,1|C<4>,1|I<1>,1|O<2>,5|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]H)(OC){1|C<3>,3|C<4>,4|H<1>}	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)	111.5260	0.000	1	111.5260	0.000	1	111.5260	0.000	1	111.5260	0.000	1	108.6576	4.629	5	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O	3:3:3:2:	4:3:2:	4:2:	C[5,6,6a]-3:C[5,6a]-3:C[6,6]-3:O-2:	C[5,6]-4:C[3x6]-3:O[6]-2:	C[5,6]-4:O-2:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6,6]C[3x6]O[6])(OO)	C[6,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[3x6]C[5,6,6]C[3x6])(O[6]C[6,6])	O(C[5,6]C[5,6,6a]C[5,6a]C[6,6])(OC)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6,6]C[3x6]O[6])(OO){4|C<3>,4|C<4>}	C[6,6](C[5,6]C[5,6,6a]C[5,6a]O)(C[3x6]C[5,6,6]C[3x6])(O[6]C[6,6]){1|N<4>,2|O<2>,3|C<4>,5|C<3>}	O(C[5,6]C[5,6,6a]C[5,6a]C[6,6])(OC)	114.5460	0.000	1	114.5460	0.000	1	114.5460	0.000	1	114.5460	0.000	1	108.5851	9.986	15	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O	3:3:4:2:	4:3:4:	4:4:	C[5,6,6a]-3:C[6,6]-3:C[5]-4:O-2:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[5,6]-4:C-4:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[5]C[5,6]HH)(OC)	C[6,6](C[5,6]C[5,6,6a]C[5]O)(C[6,6]C[6]2)(C[6]C[6]OO)	O(C[5,6]C[5,6,6a]C[6,6]C[5])(CH3)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[5]C[5,6]HH)(OC){1|C<4>,2|O<2>,6|C<3>}	C[6,6](C[5,6]C[5,6,6a]C[5]O)(C[6,6]C[6]2)(C[6]C[6]OO){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	O(C[5,6]C[5,6,6a]C[6,6]C[5])(CH3)	107.1360	0.000	1	107.1360	0.000	1	107.1360	0.000	1	107.1360	0.000	1	108.5851	9.986	15	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O	3:4:4:2:	4:4:3:	4:1:	C[6,6]-3:C[5,6]-4:C[5]-4:O-2:	C[4x6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[4x6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[4x6]C[4x6]O[6,6]C[6])(C[5,6]C[5,6]C[5]O)(C[6]C[6]H)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[4x6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[4x6]C[4x6]O[6,6]C[6])(C[5,6]C[5,6]C[5]O)(C[6]C[6]H){1|O<2>,5|H<1>,8|C<4>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	110.0860	0.000	1	110.0860	0.000	1	110.0860	0.000	1	105.9700	5.269	6	108.5851	9.986	15	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O	3:4:4:2:	4:4:3:	4:1:	C[6,6]-3:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	104.5490	0.000	1	105.1468	1.504	5	105.1468	1.504	5	105.9700	5.269	6	108.5851	9.986	15	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O	3:4:4:2:	4:4:3:	4:1:	C[6,6]-3:C[5,6]-4:C[5]-4:O-2:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:H-1:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	O(C[5,6]C[5,6]C[6,6]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(OH){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|O<1>,4|H<1>,7|C<4>}	O(C[5,6]C[5,6]C[6,6]C[5])(H)	105.2963	1.363	4	105.1468	1.504	5	105.1468	1.504	5	105.9700	5.269	6	108.5851	9.986	15	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O	4:3:3:2:	4:3:3:	4:1:	C[5,6]-4:C[6,6]-3:N[5]-3:O-2:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6a]N[5]O)(C[6,6]C[6,6]C[6])(N[5]C[5]H)(OH)	C[6,6](C[5,6]C[5,6]N[5]O)(C[6,6]C[6,6a]N[6])(C[6]C[6]H)	O(C[5,6]C[5,6]C[6,6]N[5])(H)	C[5,6](C[5,6]C[6,6a]N[5]O)(C[6,6]C[6,6]C[6])(N[5]C[5]H)(OH){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6,6](C[5,6]C[5,6]N[5]O)(C[6,6]C[6,6a]N[6])(C[6]C[6]H){1|N<2>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	O(C[5,6]C[5,6]C[6,6]N[5])(H)	109.0910	0.000	1	109.0910	0.000	1	109.0910	0.000	1	109.0910	0.000	1	108.5851	9.986	15	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O	4:3:4:2:	4:4:3:	4:1:	C[5,5,6]-4:C[6,6]-3:C[5]-4:O-2:	C[4x6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[4x6]C[6])(C[5]C[5]HH)(OH)	C[6,6](C[4x6]C[4x6]O[6,6]C[6])(C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H)	O(C[5,6]C[5,5,6]C[6,6]C[5])(H)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[4x6]C[6])(C[5]C[5]HH)(OH){1|C<3>,1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[4x6]C[4x6]O[6,6]C[6])(C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H){1|C<3>,1|O<1>,4|H<1>,7|C<4>}	O(C[5,6]C[5,5,6]C[6,6]C[5])(H)	110.1467	2.236	4	110.1467	4.998	4	110.1467	4.998	4	110.1467	4.998	4	108.5851	9.986	15	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O	4:3:4:2:	4:4:3:	4:4:	C[5,5,6]-4:C[6,6]-3:C[5]-4:O-2:	C[4x6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:Si-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[4x6]C[6])(C[5]C[5]HH)(OSi)	C[6,6](C[4x6]C[4x6]O[6,6]C[6])(C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H)	O(C[5,6]C[5,5,6]C[6,6]C[5])(SiC3)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[4x6]C[6])(C[5]C[5]HH)(OSi){1|C<3>,1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[4x6]C[4x6]O[6,6]C[6])(C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H){1|C<3>,1|O<1>,4|H<1>,7|C<4>}	O(C[5,6]C[5,5,6]C[6,6]C[5])(SiC3)	110.8040	0.000	1	110.7980	0.000	2	110.7980	0.000	2	110.7980	0.000	2	108.5851	9.986	15	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6,6]	O	4:3:4:2:	4:4:3:	4:4:	C[5,5,6]-4:C[6,6]-3:C[5]-4:O-2:	C[4x6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:Si-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[4x6]C[6])(C[5]C[5]HH)(OSi)	C[6,6](C[4x6]C[4x6]O[6,6]C[6])(C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H)	O(C[5,6]C[5,5,6]C[6,6]C[5])(SiC3)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[4x6]C[6])(C[5]C[5]HH)(OSi){2|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[6,6](C[4x6]C[4x6]O[6,6]C[6])(C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H){1|C<3>,1|O<1>,4|H<1>,7|C<4>}	O(C[5,6]C[5,5,6]C[6,6]C[5])(SiC3)	110.7920	0.000	1	110.7980	0.000	2	110.7980	0.000	2	110.7980	0.000	2	108.5851	9.986	15	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	2:3:3:2:	4:3:1:	4:1:	O[5,6]-2:C[5]-3:C[6]-3:O-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:H-1:	C[5,6](O[5,6]C[5,5,6])(C[5]C[5]C)(C[6]C[6]H)(OH)	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[5,6]C)(H)	O(C[5,6]O[5,6]C[5]C[6])(H)	C[5,6](O[5,6]C[5,5,6])(C[5]C[5]C)(C[6]C[6]H)(OH){2|H<1>,3|C<4>}	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[5,6]C)(H){1|C<3>,1|H<1>,3|C<4>}	O(C[5,6]O[5,6]C[5]C[6])(H)	113.7575	0.470	2	113.7575	0.221	2	113.7575	0.221	2	113.7575	0.221	2	109.6466	9.180	61	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	3:3:3:2:	4:4:1:	4:4:	C[5,6a]-3:N[5,6]-3:C[6]-3:O-2:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C-4:	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(N[5,6]C[5]C[6])(C[6]C[6]O)(OC)	C[6](C[5,6]C[5,6a]N[5,6]O)(C[6]C[6]HH)(O)	O(C[5,6]C[5,6a]N[5,6]C[6])(CH3)	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(N[5,6]C[5]C[6])(C[6]C[6]O)(OC){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]N[5,6]O)(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	O(C[5,6]C[5,6a]N[5,6]C[6])(CH3)	103.9130	0.000	1	103.9130	0.000	1	103.9130	0.000	1	103.9130	0.000	1	109.6466	9.180	61	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	3:3:4:2:	3:4:1:	4:1:	C[5,6]-3:C[6]-3:C[5]-4:O-2:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]N[5]N[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(O)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]N[5]N[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(OH){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(O){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	105.9335	0.108	2	105.9335	0.012	2	105.9335	0.012	2	105.9335	0.012	2	109.6466	9.180	61	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	3:3:4:2:	4:3:1:	4:1:	N[5,6]-3:C[6]-3:C[5]-4:O-2:	C[5,6]-4:N[5,6]-3:O-1:	C[5,6]-4:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(OH)	C[6](C[5,6]N[5,6]C[5]O)(N[5,6]C[5,6]C[5])(O)	O(C[5,6]N[5,6]C[5]C[6])(H)	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(OH){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[5,6]N[5,6]C[5]O)(N[5,6]C[5,6]C[5])(O){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	O(C[5,6]N[5,6]C[5]C[6])(H)	110.5695	0.323	2	110.5695	0.104	2	110.5695	0.104	2	110.5695	0.104	2	109.6466	9.180	61	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	3:4:3:2:	3:4:1:	4:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:O-2:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)(OH)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6a]C[5,6]O)(O)	O(C[5,6]C[5,6a]C[5,6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)(OH){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6a]C[5,6]O)(O){2|C<4>,6|C<3>}	O(C[5,6]C[5,6a]C[5,6]C[6])(H)	108.4320	0.000	1	108.4320	0.000	1	108.4320	0.000	1	108.4320	0.000	1	109.6466	9.180	61	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	3:4:3:2:	4:3:1:	4:4:	C[5,6]-3:C[5]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]H)(OC)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]C)(H)	O(C[5,6]C[5,6]C[5]C[6])(CH3)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]H)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(CH3)	108.8310	0.000	1	108.8310	0.000	1	108.8310	0.000	1	109.0780	0.122	2	109.6466	9.180	61	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	3:4:3:2:	4:3:1:	4:4:	C[5,6a]-3:C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(OC)	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]H)(H)	O(C[5,6]C[5,6a]C[5,6]C[6])(CH3)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(OC){1|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	O(C[5,6]C[5,6a]C[5,6]C[6])(CH3)	109.3250	0.000	1	109.3250	0.000	1	109.3250	0.000	1	109.0780	0.122	2	109.6466	9.180	61	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	3:4:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6a]C[6])(OH)	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6a]C[6a]2)(C[6]C[6]H)	O(C[5,6]C[5,6a]C[5,6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6a]C[6])(OH){4|H<1>,6|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,3|H<1>,6|C<3>}	O(C[5,6]C[5,6a]C[5,6]C[6])(H)	112.1000	0.000	1	112.1000	0.000	1	112.1000	0.000	1	112.1000	0.000	1	109.6466	9.180	61	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	3:4:3:2:	4:4:1:	4:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]O)(OH)	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]HH)(O)	O(C[5,6]C[5,6a]C[5,6]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]O)(OH){1|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O(C[5,6]C[5,6a]C[5,6]C[6])(H)	110.2060	0.000	1	110.2060	0.000	1	110.2060	0.000	1	110.2060	0.000	1	109.6466	9.180	61	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	4:2:3:2:	4:2:3:	4:1:	C[5,6]-4:O[5]-2:C[6]-3:O-2:	C[5,6]-4:N[6]-2:C-3:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6a]C[6,6a]C)(O[5]C[5,6a])(C[6]N[6]C)(OH)	C[6](C[5,6]C[5,6]O[5]O)(N[6]C[6,6a])(CNO)	O(C[5,6]C[5,6]C[6]O[5])(H)	C[5,6](C[5,6]C[5,6a]C[6,6a]C)(O[5]C[5,6a])(C[6]N[6]C)(OH){4|C<3>}	C[6](C[5,6]C[5,6]O[5]O)(N[6]C[6,6a])(CNO){1|C<4>,4|C<3>}	O(C[5,6]C[5,6]C[6]O[5])(H)	114.3920	0.000	1	114.3920	0.000	1	114.3920	0.000	1	114.3920	0.000	1	109.6466	9.180	61	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	4:3:2:2:	3:4:1:	4:4:	C[5,6,6]-4:C[6]-3:O[5]-2:O-2:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:C-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]O)(O[5]C[5])(OC)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6,6]O[5]O)(O)	O(C[5,6]C[5,6,6]C[6]O[5])(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]O)(O[5]C[5])(OC){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[5,6]C[5,6,6]O[5]O)(O){1|H<1>,2|C<3>,4|C<4>}	O(C[5,6]C[5,6,6]C[6]O[5])(CH3)	106.1680	0.000	1	106.1680	0.000	1	106.1680	0.000	1	106.1680	0.000	1	109.6466	9.180	61	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	4:3:2:2:	4:3:1:	4:1:	C[5,6,6]-4:C[6]-3:O[5]-2:O-2:	C[5,6]-4:C[6,6]-3:O-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6,6]O)(O[5]C[5])(OH)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]C[6])(O)	O(C[5,6]C[5,6,6]C[6]O[5])(H)	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[6]C[6,6]O)(O[5]C[5])(OH){1|C<3>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]C[6])(O){1|H<1>,2|O<2>,5|C<4>}	O(C[5,6]C[5,6,6]C[6]O[5])(H)	109.8607	0.913	3	109.8607	0.833	3	109.8607	0.833	3	110.2420	1.137	4	109.6466	9.180	61	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	4:3:2:2:	4:3:1:	4:1:	C[5,6]-4:C[6]-3:N[5]-2:O-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(N[5]C[5])(OH)	C[6](C[5,6]C[5,6]N[5]O)(C[6]C[6]C)(H)	O(C[5,6]C[5,6]C[6]N[5])(H)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(N[5]C[5])(OH){1|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]N[5]O)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[5,6]C[5,6]C[6]N[5])(H)	111.3860	0.000	1	111.3860	0.000	1	111.3860	0.000	1	110.2420	1.137	4	109.6466	9.180	61	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	4:3:2:2:	4:3:1:	4:4:	C[5,6,6]-4:C[6]-3:O[5]-2:O-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(O[5]C[5])(OC)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]H)(H)	O(C[5,6]C[5,6,6]C[6]O[5])(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(O[5]C[5])(OC){1|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<4>}	O(C[5,6]C[5,6,6]C[6]O[5])(CH3)	104.7420	0.000	1	104.7420	0.000	1	104.7420	0.000	1	104.7420	0.000	1	109.6466	9.180	61	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	4:3:2:2:	4:4:1:	4:1:	C[5,5,6]-4:C[6]-3:O[5]-2:O-2:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]O)(O[5]C[5])(OH)	C[6](C[5,6]C[5,5,6]O[5]O)(C[6]C[6]CO)(O)	O(C[5,6]C[5,5,6]C[6]O[5])(H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]O)(O[5]C[5])(OH){1|O<1>,1|O<2>,4|H<1>,5|C<4>}	C[6](C[5,6]C[5,5,6]O[5]O)(C[6]C[6]CO)(O){1|C<3>,5|C<4>}	O(C[5,6]C[5,5,6]C[6]O[5])(H)	112.1510	0.000	1	112.1510	0.000	1	112.1510	0.000	1	110.8483	1.847	3	109.6466	9.180	61	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	4:3:2:2:	4:4:1:	4:1:	C[5,6,6]-4:C[6]-3:O[5]-2:O-2:	C[5,6]-4:C[6,6]-4:O-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]O)(O[5]C[5])(OH)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]C[6]H)(O)	O(C[5,6]C[5,6,6]C[6]O[5])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[6]C[6,6]O)(O[5]C[5])(OH){1|O<1>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]C[6]H)(O){2|C<3>,7|C<4>}	O(C[5,6]C[5,6,6]C[6]O[5])(H)	110.9550	0.000	1	110.9550	0.000	1	110.9550	0.000	1	110.8483	1.847	3	109.6466	9.180	61	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	4:3:2:2:	4:4:1:	4:1:	C[5,6,6]-4:C[6]-3:O[5]-2:O-2:	C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(O[5]C[5])(OH)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[5,6]CH)(H)	O(C[5,6]C[5,6,6]C[6]O[5])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(O[5]C[5])(OH){1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[5,6]CH)(H){1|C<3>,1|H<1>,4|C<4>}	O(C[5,6]C[5,6,6]C[6]O[5])(H)	109.4390	0.000	1	109.4390	0.000	1	109.4390	0.000	1	110.8483	1.847	3	109.6466	9.180	61	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	4:3:2:2:	4:4:1:	4:4:	C[5,6,6]-4:C[6]-3:O[5]-2:O-2:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:C-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(O[5]C[5])(OC)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]CC)(O)	O(C[5,6]C[5,6,6]C[6]O[5])(CH3)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(O[5]C[5])(OC){3|H<1>,6|C<4>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]CC)(O){2|H<1>,4|C<4>}	O(C[5,6]C[5,6,6]C[6]O[5])(CH3)	109.1660	0.000	1	109.1660	0.000	1	109.1660	0.000	1	109.1660	0.000	1	109.6466	9.180	61	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	4:3:3:2:	3:4:1:	4:1:	C[5,6]-4:C[6]-3:C[5]-3:O-2:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)(C[5]C[5]O)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(O)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)(C[5]C[5]O)(OH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(O){1|O<1>,1|O<2>,2|C<4>,4|C<3>}	O(C[5,6]C[5,6]C[5]C[6])(H)	109.5730	0.000	1	109.5730	0.000	1	110.2115	0.815	2	110.2115	0.815	2	109.6466	9.180	61	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	4:3:3:2:	3:4:1:	4:1:	C[5,6]-4:C[6]-3:C[5]-3:O-2:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6a]O)(C[5]C[5]O)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(O)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6a]O)(C[5]C[5]O)(OH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(O){1|O<1>,1|O<2>,2|C<4>,4|C<3>}	O(C[5,6]C[5,6]C[5]C[6])(H)	110.8500	0.000	1	110.8500	0.000	1	110.2115	0.815	2	110.2115	0.815	2	109.6466	9.180	61	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	4:3:3:2:	4:3:1:	4:1:	C[5,6,6]-4:C[5]-3:C[6]-3:O-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H)(OH)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H)	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H)(OH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O(C[5,6]C[5,6,6]C[5]C[6])(H)	111.3740	0.000	1	111.3740	0.000	1	111.3740	0.000	1	111.3740	0.000	1	109.6466	9.180	61	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	4:3:3:2:	4:3:4:	4:1:	C[5,5,6]-4:C[5]-3:C[6]-3:O-2:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(C[6]C[6]C)(OH)	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H)(CH3)	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5]O[5]O)(C[6]C[6]C)(OH){1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O(C[5,6]C[5,5,6]C[5]C[6])(H)	115.1070	0.000	1	115.1070	0.000	1	115.1070	0.000	1	115.1070	0.000	1	109.6466	9.180	61	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	4:3:3:2:	4:4:1:	4:1:	C[5,5,6]-4:C[5]-3:C[6]-3:O-2:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[5]N[5]O)(C[6]C[6]O)(OH)	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[5,6]HH)(O)	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(C[5]N[5]O)(C[6]C[6]O)(OH){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[5,6]HH)(O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|O<2>}	O(C[5,6]C[5,5,6]C[5]C[6])(H)	111.6305	0.056	2	111.6305	0.003	2	111.6305	0.003	2	110.7893	2.124	3	109.6466	9.180	61	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	4:3:3:2:	4:4:1:	4:1:	C[5,6]-4:C[5]-3:C[6]-3:O-2:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(C[6]C[6]O)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(O)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]O)(C[6]C[6]O)(OH){2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	109.1070	0.000	1	109.1070	0.000	1	109.1070	0.000	1	110.7893	2.124	3	109.6466	9.180	61	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	4:3:3:2:	4:4:1:	4:4:	C[5,6]-4:C[5]-3:C[6]-3:O-2:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:Si-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]C)(C[6]C[6]O)(OSi)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(O)	O(C[5,6]C[5,6]C[5]C[6])(SiC3)	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]C)(C[6]C[6]O)(OSi){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(SiC3)	111.3510	0.000	1	111.3510	0.000	1	111.3510	0.000	1	111.3510	0.000	1	109.6466	9.180	61	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	4:3:4:2:	4:3:1:	4:1:	C[5,5,6]-4:C[6]-3:C[5]-4:O-2:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[6]C[6,6a]O)(C[5]O[5]HH)(OH)	C[6](C[5,6]C[5,5,6]C[5]O)(C[6,6a]C[6,6a]C[6a])(O)	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[6]C[6,6a]O)(C[5]O[5]HH)(OH){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5,5,6]C[5]O)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	O(C[5,6]C[5,5,6]C[5]C[6])(H)	102.7630	0.000	1	102.7630	0.000	1	102.7630	0.000	1	106.5770	29.093	2	109.6466	9.180	61	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	4:3:4:2:	4:3:1:	4:1:	C[5,6]-4:C[6]-3:C[5]-4:O-2:	C[5,6]-4:C[6,6]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]H)(C[5]C[5]CH)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6])(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6,6]H)(C[5]C[5]CH)(OH){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6])(H){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	110.3910	0.000	1	110.3910	0.000	1	110.3910	0.000	1	106.5770	29.093	2	109.6466	9.180	61	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	4:3:4:2:	4:3:1:	4:4:	C[5,6,6]-4:C[6]-3:C[5]-4:O-2:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6]-4:C-4:	C[5,6](C[5,6,6]C[5,6]C[6]O[6])(C[6]C[6,6a]O)(C[5]C[5]HO)(OC)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6,6a]C[6,6a]C[6a])(O)	O(C[5,6]C[5,6,6]C[5]C[6])(CC[6a]HH)	C[5,6](C[5,6,6]C[5,6]C[6]O[6])(C[6]C[6,6a]O)(C[5]C[5]HO)(OC){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|C<4>,3|C<3>,3|O<2>}	O(C[5,6]C[5,6,6]C[5]C[6])(CC[6a]HH)	111.5545	0.032	2	111.5545	0.001	2	111.5545	0.001	2	111.5545	0.001	2	109.6466	9.180	61	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	4:3:4:2:	4:3:3:	4:1:	C[5,5,6]-4:C[6]-3:C[5]-4:O-2:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6a]C[6])(C[5]C[5]HH)(OH)	C[6](C[5,6]C[5,5,6]C[5]O)(C[6a]C[6a]2)(C[6]C[6]H)	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6a]C[6])(C[5]C[5]HH)(OH){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5]O)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,4|C<3>,5|H<1>}	O(C[5,6]C[5,5,6]C[5]C[6])(H)	109.5170	0.970	2	109.5170	0.941	2	109.5170	0.941	2	109.5170	0.941	2	109.6466	9.180	61	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	4:3:4:2:	4:4:1:	4:1:	C[5,6]-4:C[6]-3:C[5]-4:O-2:	C[3x6]-4:C[5,6]-4:O-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[3x6]O)(C[5]C[5]CH)(OH)	C[6](C[3x6]C[5,6,6]C[3x6]O)(C[5,6]C[5,6]C[5]O)(O)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[3x6]O)(C[5]C[5]CH)(OH){1|O<2>,4|C<4>,4|H<1>}	C[6](C[3x6]C[5,6,6]C[3x6]O)(C[5,6]C[5,6]C[5]O)(O){1|H<1>,3|O<2>,7|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	100.3631	0.889	2	100.3631	0.791	2	100.3631	0.791	2	100.3631	0.791	2	109.6466	9.180	61	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	4:4:3:2:	4:2:1:	4:1:	C[5,5]-4:C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:H-1:	C[5,6](C[5,5]C[5,5,6]C[5]C)(C[5,6]C[5,6,6]HH)(C[6]O[6]O)(OH)	C[6](C[5,6]C[5,5]C[5,6]O)(O[6]C[6])(O)	O(C[5,6]C[5,5]C[5,6]C[6])(H)	C[5,6](C[5,5]C[5,5,6]C[5]C)(C[5,6]C[5,6,6]HH)(C[6]O[6]O)(OH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,5]C[5,6]O)(O[6]C[6])(O){1|C<3>,3|C<4>,4|H<1>}	O(C[5,6]C[5,5]C[5,6]C[6])(H)	106.9200	0.000	1	106.9200	0.000	1	106.9200	0.000	1	108.3620	4.159	2	109.6466	9.180	61	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	4:4:3:2:	4:2:1:	4:1:	C[5,6,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]CH)(C[6]O[6]O)(OH)	C[6](C[5,6]C[5,6,6]C[5]O)(O[6]C[6,6])(O)	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[6,6]2C[5])(C[5]O[5]CH)(C[6]O[6]O)(OH){1|O<1>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]O)(O[6]C[6,6])(O){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	O(C[5,6]C[5,6,6]C[5]C[6])(H)	109.8040	0.000	1	109.8040	0.000	1	109.8040	0.000	1	108.3620	4.159	2	109.6466	9.180	61	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	4:4:3:2:	4:3:1:	4:1:	C[5,5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[5]C[6a]C[5]H)(C[6]C[6]H)(OH)	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H)(H)	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[5]C[6a]C[5]H)(C[6]C[6]H)(OH){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	O(C[5,6]C[5,5,6]C[5]C[6])(H)	112.2500	0.000	1	112.2500	0.000	1	112.2500	0.000	1	110.3778	2.656	9	109.6466	9.180	61	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	4:4:3:2:	4:3:1:	4:1:	C[5,5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]O[5]HH)(C[6]C[6]O)(OH)	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[6]O)(O)	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]O[5]HH)(C[6]C[6]O)(OH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[6]O)(O){2|H<1>,2|O<2>,3|C<4>}	O(C[5,6]C[5,5,6]C[5]C[6])(H)	109.8920	0.000	1	109.8920	0.000	1	110.9885	2.405	2	110.3778	2.656	9	109.6466	9.180	61	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	4:4:3:2:	4:3:1:	4:1:	C[5,5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:H-1:	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[5]C[5]HH)(C[6]C[6]O)(OH)	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H)(O)	O(C[5,6]C[5,5,6]C[5]C[6])(H)	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[5]C[5]HH)(C[6]C[6]O)(OH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H)(O){2|H<1>,2|O<2>,3|C<4>}	O(C[5,6]C[5,5,6]C[5]C[6])(H)	112.0850	0.000	1	112.0850	0.000	1	110.9885	2.405	2	110.3778	2.656	9	109.6466	9.180	61	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	4:4:3:2:	4:3:1:	4:1:	C[5,6,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(OH)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H)	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(OH){1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H){2|C<4>,2|O<2>,4|H<1>}	O(C[5,6]C[5,6,6]C[5]C[6])(H)	109.5340	0.000	1	109.5340	0.000	1	108.5000	2.138	2	110.3778	2.656	9	109.6466	9.180	61	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	4:4:3:2:	4:3:1:	4:1:	C[5,6,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]H)(OH)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H)	O(C[5,6]C[5,6,6]C[5]C[6])(H)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]H)(OH){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H){4|C<4>,4|H<1>}	O(C[5,6]C[5,6,6]C[5]C[6])(H)	107.4660	0.000	1	107.4660	0.000	1	108.5000	2.138	2	110.3778	2.656	9	109.6466	9.180	61	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	4:4:3:2:	4:3:1:	4:1:	C[5,6]-4:C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]N[5,6]C[6]H)(C[6]C[6]H)(OH)	C[6](C[5,6]C[5,6]2O)(C[6]C[6]H)(H)	O(C[5,6]C[5,6]2C[6])(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]N[5,6]C[6]H)(C[6]C[6]H)(OH){2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]2O)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[5,6]C[5,6]2C[6])(H)	109.7930	0.000	1	109.7930	0.000	1	109.7930	0.000	1	110.3778	2.656	9	109.6466	9.180	61	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	4:4:3:2:	4:3:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(OH){2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	109.1890	0.000	1	109.1890	0.000	1	110.1010	1.663	2	110.3778	2.656	9	109.6466	9.180	61	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	4:4:3:2:	4:3:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]H)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]H)(OH){1|C<3>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	111.0130	0.000	1	111.0130	0.000	1	110.1010	1.663	2	110.3778	2.656	9	109.6466	9.180	61	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	4:4:3:2:	4:3:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]HH)(C[6]N[6]O)(OH)	C[6](C[5,6]C[5,6]C[5]O)(N[6]C[6]H)(O)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]O[5]HH)(C[6]N[6]O)(OH){1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(N[6]C[6]H)(O){1|C<4>,2|O<2>,5|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	112.1780	0.000	1	112.1780	0.000	1	112.1780	0.000	1	110.3778	2.656	9	109.6466	9.180	61	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	4:4:3:2:	4:3:1:	4:4:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]H)(OC)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]S)(H)	O(C[5,6]C[5,6]C[5]C[6])(CH3)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]H)(OC){1|C<3>,1|O<1>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]S)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(CH3)	111.2670	0.000	1	111.2670	0.000	1	110.4485	1.340	2	110.4485	1.340	2	109.6466	9.180	61	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	4:4:3:2:	4:3:1:	4:4:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(OC)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)	O(C[5,6]C[5,6]C[5]C[6])(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(OC){2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(CH3)	109.6300	0.000	1	109.6300	0.000	1	110.4485	1.340	2	110.4485	1.340	2	109.6466	9.180	61	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	4:4:3:2:	4:3:4:	4:1:	C[3,5]-4:C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:H-1:	C[5,6](C[3,5]C[3,5,6]O[3]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]C)(OH)	C[6](C[5,6]C[3,5]C[5,6]O)(C[6]C[6]C)(CH3)	O(C[5,6]C[3,5]C[5,6]C[6])(H)	C[5,6](C[3,5]C[3,5,6]O[3]H)(C[5,6]C[5,6]C[6]C)(C[6]C[6]C)(OH){3|H<1>,4|C<4>}	C[6](C[5,6]C[3,5]C[5,6]O)(C[6]C[6]C)(CH3){1|O<2>,3|H<1>,4|C<4>}	O(C[5,6]C[3,5]C[5,6]C[6])(H)	110.6140	0.000	1	110.6140	0.000	1	110.6140	0.000	1	110.6140	0.000	1	109.6466	9.180	61	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	4:4:3:2:	4:4:1:	4:1:	C[5,3x6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:H-1:	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O)(OH)	C[6](C[5,6]C[5,3x6]C[5]O)(C[6]C[6,6]HH)(O)	O(C[5,6]C[5,3x6]C[5]C[6])(H)	C[5,6](C[5,3x6]C[3x6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O)(OH){1|C<3>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,3x6]C[5]O)(C[6]C[6,6]HH)(O){1|N<3>,3|H<1>,4|C<4>}	O(C[5,6]C[5,3x6]C[5]C[6])(H)	104.3750	0.000	1	104.3750	0.000	1	104.3750	0.000	1	108.3780	9.118	4	109.6466	9.180	61	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	4:4:3:2:	4:4:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]O)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[4,6]CH)(O)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]O)(OH){3|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[4,6]CH)(O){1|O<2>,3|H<1>,4|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	111.5370	0.000	1	111.5370	0.000	1	109.7123	2.994	3	108.3780	9.118	4	109.6466	9.180	61	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	4:4:3:2:	4:4:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]O)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(O)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]O)(OH){1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	109.5050	0.000	1	109.5050	0.000	1	109.7123	2.994	3	108.3780	9.118	4	109.6466	9.180	61	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	4:4:3:2:	4:4:1:	4:1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[6,6]O[5]C)(C[5]C[5]HO)(C[6]C[6]O)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(O)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[6,6]O[5]C)(C[5]C[5]HO)(C[6]C[6]O)(OH){1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(O){2|H<1>,2|O<2>,4|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	108.0950	0.000	1	108.0950	0.000	1	109.7123	2.994	3	108.3780	9.118	4	109.6466	9.180	61	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	4:4:3:2:	4:4:3:	4:1:	C[5,5]-4:C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:H-1:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]C)(OH)	C[6](C[5,6]C[5,5]C[5,6]O)(C[6]C[6]HH)(CC[6a]H)	O(C[5,6]C[5,5]C[5,6]C[6])(H)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]C)(OH){1|C<4>,1|S<4>,2|C<3>,7|H<1>}	C[6](C[5,6]C[5,5]C[5,6]O)(C[6]C[6]HH)(CC[6a]H){1|C<3>,3|C<4>,4|H<1>}	O(C[5,6]C[5,5]C[5,6]C[6])(H)	112.4110	0.000	1	112.4110	0.000	1	112.4110	0.000	1	111.3347	5.739	4	109.6466	9.180	61	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	4:4:3:2:	4:4:3:	4:1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]C)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(CC[6a]H)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]C)(OH){1|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(CC[6a]H){1|C<3>,3|H<1>,4|C<4>}	O(C[5,6]C[5,6]C[5]C[6])(H)	112.5900	0.208	2	112.5900	0.043	2	110.9760	7.837	3	111.3347	5.739	4	109.6466	9.180	61	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5,6]	C[6]	O	4:4:3:2:	4:4:3:	4:1:	C[5,6]-4:C[5]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(OH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(CCH)	O(C[5,6]C[5,6]C[5]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(OH){1|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(CCH){4|C<4>,4|H<1>}	O(C[5,6]C[5,6]C[5]C[6])(H)	107.7480	0.000	1	107.7480	0.000	1	110.9760	7.837	3	111.3347	5.739	4	109.6466	9.180	61	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5]	C[6]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[5]-3:C[6]-3:O-2:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2)(OH)	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]H)(C[6]C[6]O)	O(C[5]C[5,6a]C[5]C[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2)(OH){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	O(C[5]C[5,6a]C[5]C[6])(H)	111.9100	0.000	1	111.9100	0.000	1	111.6350	0.151	2	111.6350	0.151	2	113.3350	3.950	4	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5]	C[6]	O	3:3:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[5]-3:C[6]-3:O-2:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2)(OH)	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]O)2	O(C[5]C[5,6a]C[5]C[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(C[6]C[6]2)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]O)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	O(C[5]C[5,6a]C[5]C[6])(H)	111.3600	0.000	1	111.3600	0.000	1	111.6350	0.151	2	111.6350	0.151	2	113.3350	3.950	4	109.4871	9.127	103
474	762	893	0:SP3_SP2_SP3	C[5]	C[6]	O	3:3:3:2:	4:3:3:	4:2:	C[6]-3:N[5]-3:C[5]-3:O-2:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:O-2:	C[5](C[6]C[6]N[6])(N[5]C[5]Pt)(C[5]C[5]C)(OO)	C[6](C[5]C[5]N[5]O)(N[6]C[6]Pt)(C[6]C[6]H)	O(C[5]C[5]C[6]N[5])(OPt)	C[5](C[6]C[6]N[6])(N[5]C[5]Pt)(C[5]C[5]C)(OO){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5]C[5]N[5]O)(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	O(C[5]C[5]C[6]N[5])(OPt)	115.0350	0.373	2	115.0350	0.139	2	115.0350	0.139	2	115.0350	0.139	2	113.3350	3.950	4	109.4871	9.127	103
474	762	909	0:SP3_SP2_SP3	C[5,6,6]	C[6]	S	4:4:3:2:	4:3:1:	4:4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:S-2:	C[5,6,6]-4:C[6]-3:O-1:	C[5,6,6]-4:C-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]O)(SC)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]S)(C[6]C[6]S)(O)	S(C[5,6,6]C[5,5,6]C[5,6,6]C[6])(CH3)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]O)(SC){1|O<1>,1|S<2>,2|C<3>,4|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]S)(C[6]C[6]S)(O){2|C<3>,2|H<1>,3|C<4>}	S(C[5,6,6]C[5,5,6]C[5,6,6]C[6])(CH3)	104.6570	0.000	1	104.6570	0.000	1	104.6570	0.000	1	104.6570	0.000	1	104.6570	0.000	1	107.7340	2.527	24
474	762	909	0:SP3_SP2_SP3	C[5,6]	C[6]	S	3:3:3:2:	4:3:1:	4:4:	N[5,6]-3:C[5]-3:C[6]-3:S-2:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]N[6]O)(SC)	C[6](C[5,6]N[5,6]C[5]S)(N[6]C[6]C)(O)	S(C[5,6]N[5,6]C[5]C[6])(CCHH)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]N[6]O)(SC){1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]S)(N[6]C[6]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	S(C[5,6]N[5,6]C[5]C[6])(CCHH)	109.2760	0.000	1	109.2760	0.000	1	109.2760	0.000	1	109.2760	0.000	1	107.8677	2.193	23	107.7340	2.527	24
474	762	909	0:SP3_SP2_SP3	C[5,6]	C[6]	S	3:3:4:2:	3:4:1:	4:4:	N[5,6]-3:C[6]-3:C[5]-4:S-2:	N[5,6,6]-3:C[5,6]-4:O-1:	C[5,6]-4:C-4:	C[5,6](N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(C[5]C[5,6]HH)(SC)	C[6](N[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6]N[5,6]C[5]S)(O)	S(C[5,6]N[5,6]C[5]C[6])(CH3)	C[5,6](N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(C[5]C[5,6]HH)(SC){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](N[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6]N[5,6]C[5]S)(O){1|S<2>,2|C<3>,3|H<1>,4|C<4>}	S(C[5,6]N[5,6]C[5]C[6])(CH3)	108.3950	0.000	1	107.9500	0.396	2	107.9500	0.396	2	107.9500	0.396	2	107.8677	2.193	23	107.7340	2.527	24
474	762	909	0:SP3_SP2_SP3	C[5,6]	C[6]	S	3:3:4:2:	3:4:1:	4:4:	N[5,6]-3:C[6]-3:C[5]-4:S-2:	N[5,6,6]-3:C[5,6]-4:O-1:	C[5,6]-4:C-4:	C[5,6](N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(C[5]C[5,6]HH)(SC)	C[6](N[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6]N[5,6]C[5]S)(O)	S(C[5,6]N[5,6]C[5]C[6])(CH3)	C[5,6](N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(C[5]C[5,6]HH)(SC){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](N[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6]N[5,6]C[5]S)(O){1|C<3>,1|S<2>,3|H<1>,5|C<4>}	S(C[5,6]N[5,6]C[5]C[6])(CH3)	107.5050	0.000	1	107.9500	0.396	2	107.9500	0.396	2	107.9500	0.396	2	107.8677	2.193	23	107.7340	2.527	24
474	762	909	0:SP3_SP2_SP3	C[5,6]	C[6]	S	3:3:4:2:	4:3:1:	4:2:	N[5,6]-3:C[6]-3:C[5]-4:S-2:	C[5,6]-4:N[5,6,6]-3:O-1:	C[5,6]-4:S-2:	C[5,6](N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(C[5]C[5,6]HH)(SS)	C[6](C[5,6]N[5,6]C[5]S)(N[5,6,6]C[5,6,6]2)(O)	S(C[5,6]N[5,6]C[5]C[6])(SC[6])	C[5,6](N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(C[5]C[5,6]HH)(SS){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]N[5,6]C[5]S)(N[5,6,6]C[5,6,6]2)(O){1|C<3>,1|S<2>,3|H<1>,5|C<4>}	S(C[5,6]N[5,6]C[5]C[6])(SC[6])	106.6340	0.000	1	106.6340	0.000	1	106.6340	0.000	1	107.5333	0.811	3	107.8677	2.193	23	107.7340	2.527	24
474	762	909	0:SP3_SP2_SP3	C[5,6]	C[6]	S	3:3:4:2:	4:3:1:	4:2:	N[5,6]-3:C[6]-3:C[5]-4:S-2:	C[5,6]-4:N[5,6]-3:O-1:	C[5,6]-4:S-2:	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(SS)	C[6](C[5,6]N[5,6]C[5]S)(N[5,6]C[5,6]C[5])(O)	S(C[5,6]N[5,6]C[5]C[6])(SS)	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(SS){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[5,6]N[5,6]C[5]S)(N[5,6]C[5,6]C[5])(O){1|S<2>,3|C<3>,3|C<4>,3|H<1>}	S(C[5,6]N[5,6]C[5]C[6])(SS)	107.9830	0.639	2	107.9830	0.409	2	107.9830	0.409	2	107.5333	0.811	3	107.8677	2.193	23	107.7340	2.527	24
474	762	909	0:SP3_SP2_SP3	C[5,6]	C[6]	S	3:3:4:2:	4:3:1:	4:4:	N[5,6]-3:C[6]-3:C[5]-4:S-2:	C[5,6]-4:N[5,6,6]-3:O-1:	C[5,6]-4:C-4:	C[5,6](N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(C[5]C[5,6]HH)(SC)	C[6](C[5,6]N[5,6]C[5]S)(N[5,6,6]C[5,6,6]2)(O)	S(C[5,6]N[5,6]C[5]C[6])(CH3)	C[5,6](N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(C[5]C[5,6]HH)(SC){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[5,6]N[5,6]C[5]S)(N[5,6,6]C[5,6,6]2)(O){1|S<2>,2|C<3>,3|H<1>,4|C<4>}	S(C[5,6]N[5,6]C[5]C[6])(CH3)	110.1995	0.299	2	109.8853	0.341	3	109.8853	0.341	3	109.0350	1.870	5	107.8677	2.193	23	107.7340	2.527	24
474	762	909	0:SP3_SP2_SP3	C[5,6]	C[6]	S	3:3:4:2:	4:3:1:	4:4:	N[5,6]-3:C[6]-3:C[5]-4:S-2:	C[5,6]-4:N[5,6,6]-3:O-1:	C[5,6]-4:C-4:	C[5,6](N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(C[5]C[5,6]HH)(SC)	C[6](C[5,6]N[5,6]C[5]S)(N[5,6,6]C[5,6,6]2)(O)	S(C[5,6]N[5,6]C[5]C[6])(CH3)	C[5,6](N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(C[5]C[5,6]HH)(SC){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]N[5,6]C[5]S)(N[5,6,6]C[5,6,6]2)(O){1|C<3>,1|S<2>,3|H<1>,5|C<4>}	S(C[5,6]N[5,6]C[5]C[6])(CH3)	109.2570	0.000	1	109.8853	0.341	3	109.8853	0.341	3	109.0350	1.870	5	107.8677	2.193	23	107.7340	2.527	24
474	762	909	0:SP3_SP2_SP3	C[5,6]	C[6]	S	3:3:4:2:	4:3:1:	4:4:	N[5,6]-3:C[6]-3:C[5]-4:S-2:	C[5,6]-4:N[5,6]-3:O-1:	C[5,6]-4:C-4:	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(SC)	C[6](C[5,6]N[5,6]C[5]S)(N[5,6]C[5,6]C[5])(O)	S(C[5,6]N[5,6]C[5]C[6])(CH3)	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(SC){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]S)(N[5,6]C[5,6]C[5])(O){1|C<3>,1|S<2>,4|C<4>,4|H<1>}	S(C[5,6]N[5,6]C[5]C[6])(CH3)	107.7595	1.173	2	107.7595	1.376	2	107.7595	1.376	2	109.0350	1.870	5	107.8677	2.193	23	107.7340	2.527	24
474	762	909	0:SP3_SP2_SP3	C[5,6]	C[6]	S	3:4:3:2:	3:4:1:	4:2:	N[5,6]-3:C[5]-4:C[6]-3:S-2:	N[5,6]-3:C[5,6]-4:O-1:	C[5,6]-4:S-2:	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(SS)	C[6](N[5,6]C[5,6,6]C[5,6])(C[5,6]N[5,6]C[5]S)(O)	S(C[5,6]N[5,6]C[5]C[6])(SC[6])	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(SS){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](N[5,6]C[5,6,6]C[5,6])(C[5,6]N[5,6]C[5]S)(O){1|C<3>,1|S<2>,3|H<1>,5|C<4>}	S(C[5,6]N[5,6]C[5]C[6])(SC[6])	106.8760	0.000	1	106.8760	0.000	1	106.8760	0.000	1	106.8760	0.000	1	107.8677	2.193	23	107.7340	2.527	24
474	762	909	0:SP3_SP2_SP3	C[5,6]	C[6]	S	3:4:3:2:	4:2:1:	4:4:	N[5,6]-3:C[5]-4:C[6]-3:S-2:	C[5,6]-4:N[6]-2:O-1:	C[5,6]-4:C-4:	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]N[6]O)(SC)	C[6](C[5,6]N[5,6]C[5]S)(N[6]C[6])(O)	S(C[5,6]N[5,6]C[5]C[6])(CH3)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]N[6]O)(SC){1|O<1>,3|C<3>}	C[6](C[5,6]N[5,6]C[5]S)(N[6]C[6])(O){2|H<1>,4|C<3>}	S(C[5,6]N[5,6]C[5]C[6])(CH3)	108.5520	0.000	1	108.5520	0.000	1	108.5520	0.000	1	108.5520	0.000	1	107.8677	2.193	23	107.7340	2.527	24
474	762	909	0:SP3_SP2_SP3	C[5,6]	C[6]	S	3:4:3:2:	4:3:1:	4:4:	N[5,6]-3:C[5]-4:C[6]-3:S-2:	C[5,6]-4:N[5,6]-3:O-1:	C[5,6]-4:C-4:	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(SC)	C[6](C[5,6]N[5,6]C[5]S)(N[5,6]C[5,6]2)(O)	S(C[5,6]N[5,6]C[5]C[6])(CH3)	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(SC){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]N[5,6]C[5]S)(N[5,6]C[5,6]2)(O){1|C<3>,1|S<2>,3|H<1>,5|C<4>}	S(C[5,6]N[5,6]C[5]C[6])(CH3)	108.0235	0.271	2	107.8793	1.016	6	107.8793	1.016	6	107.6978	0.877	9	107.8677	2.193	23	107.7340	2.527	24
474	762	909	0:SP3_SP2_SP3	C[5,6]	C[6]	S	3:4:3:2:	4:3:1:	4:4:	N[5,6]-3:C[5]-4:C[6]-3:S-2:	C[5,6]-4:N[5,6]-3:O-1:	C[5,6]-4:C-4:	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(SC)	C[6](C[5,6]N[5,6]C[5]S)(N[5,6]C[5,6]2)(O)	S(C[5,6]N[5,6]C[5]C[6])(CH3)	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(SC){1|O<1>,2|H<1>,4|C<4>}	C[6](C[5,6]N[5,6]C[5]S)(N[5,6]C[5,6]2)(O){1|C<3>,1|S<2>,3|H<1>,5|C<4>}	S(C[5,6]N[5,6]C[5]C[6])(CH3)	107.8073	1.284	4	107.8793	1.016	6	107.8793	1.016	6	107.6978	0.877	9	107.8677	2.193	23	107.7340	2.527	24
474	762	909	0:SP3_SP2_SP3	C[5,6]	C[6]	S	3:4:3:2:	4:3:1:	4:4:	N[5,6]-3:C[5]-4:C[6]-3:S-2:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C-4:	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(C[6]N[6]O)(SC)	C[6](C[5,6]N[5,6]C[5]S)(N[6]C[6]C)(O)	S(C[5,6]N[5,6]C[5]C[6])(CH3)	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(C[6]N[6]O)(SC){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]N[5,6]C[5]S)(N[6]C[6]C)(O){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	S(C[5,6]N[5,6]C[5]C[6])(CH3)	107.7630	0.000	1	107.7630	0.000	1	107.3347	0.671	3	107.6978	0.877	9	107.8677	2.193	23	107.7340	2.527	24
474	762	909	0:SP3_SP2_SP3	C[5,6]	C[6]	S	3:4:3:2:	4:3:1:	4:4:	N[5,6]-3:C[5]-4:C[6]-3:S-2:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:C-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]N[6]O)(SC)	C[6](C[5,6]N[5,6]C[5]S)(N[6]C[6]C)(O)	S(C[5,6]N[5,6]C[5]C[6])(CH3)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]N[6]O)(SC){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]S)(N[6]C[6]C)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	S(C[5,6]N[5,6]C[5]C[6])(CH3)	107.1205	1.033	2	107.1205	1.067	2	107.3347	0.671	3	107.6978	0.877	9	107.8677	2.193	23	107.7340	2.527	24
474	762	909	0:SP3_SP2_SP3	C[5,6]	C[6]	S	4:4:3:2:	4:3:1:	4:4:	C[5,6]-4:C[5]-4:C[6]-3:S-2:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C-4:	C[5,6](C[5,6]C[6a]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H)(SC)	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]H)(H)	S(C[5,6]C[5,6]C[5]C[6])(CCHH)	C[5,6](C[5,6]C[6a]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]H)(SC){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	S(C[5,6]C[5,6]C[5]C[6])(CCHH)	103.2990	0.000	1	103.2990	0.000	1	103.2990	0.000	1	103.2990	0.000	1	107.8677	2.193	23	107.7340	2.527	24
474	762	914	6:SP3_SP2_SP2	C[5,6]	C[6]	N[6]	4:3:2:2:	4:2:2:	4:3:	C[5]-4:C[6]-3:N[6]-2:O[5]-2:	C[5,6]-4:N[6]-2:O-2:	C[5,6]-4:C[6]-3:	C[5,6](C[5]C[5]HH)(C[6]N[6]O)(N[6]C[6])(O[5]N[5])	C[6](C[5,6]C[5]N[6]O[5])(N[6]C[6])(OC)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)	C[5,6](C[5]C[5]HH)(C[6]N[6]O)(N[6]C[6])(O[5]N[5]){1|C<3>,1|C<4>,1|O<2>}	C[6](C[5,6]C[5]N[6]O[5])(N[6]C[6])(OC){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	114.4610	0.000	1	114.4610	0.000	1	114.4610	0.000	1	114.4610	0.000	1	114.2232	2.625	5	114.2232	2.625	5
474	762	914	6:SP3_SP2_SP2	C[5,6]	C[6]	N[6]	4:4:3:2:	4:2:1:	4:3:	C[5]-4:C[5]-4:C[6]-3:N[6]-2:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C[6]-3:	C[5,6](C[5]C[5]HH)2(C[6]O[6]O)(N[6]C[6])	C[6](C[5,6]C[5]2N[6])(O[6]C[6])(O)	N[6](C[5,6]C[5]2C[6])(C[6]C[6]O)	C[5,6](C[5]C[5]HH)2(C[6]O[6]O)(N[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5]2N[6])(O[6]C[6])(O){2|C<3>,3|C<4>,4|H<1>}	N[6](C[5,6]C[5]2C[6])(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	115.7730	0.175	2	115.7730	0.031	2	115.7730	0.031	2	115.7730	0.031	2	114.2232	2.625	5	114.2232	2.625	5
474	762	914	6:SP3_SP2_SP2	C[5,6]	C[6]	N[6]	4:4:3:2:	4:2:2:	4:3:	C[5]-4:C[5]-4:C[6]-3:N[6]-2:	C[5,6]-4:N[6]-2:O-2:	C[5,6]-4:C[6]-3:	C[5,6](C[5]C[5]HH)2(C[6]N[6]O)(N[6]C[6])	C[6](C[5,6]C[5]2N[6])(N[6]C[6])(OC)	N[6](C[5,6]C[5]2C[6])(C[6]C[6]O)	C[5,6](C[5]C[5]HH)2(C[6]N[6]O)(N[6]C[6]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5]2N[6])(N[6]C[6])(OC){1|C<4>,3|C<3>,5|H<1>}	N[6](C[5,6]C[5]2C[6])(C[6]C[6]O){1|C<4>,1|N<2>,1|O<2>,2|C<3>,5|H<1>}	112.5545	0.204	2	112.5545	0.042	2	112.5545	0.042	2	112.5545	0.042	2	114.2232	2.625	5	114.2232	2.625	5
474	762	924	0:SP3_SP-NON_SP2	C[5,6,6]	C[6]	Br	4:4:3:1:	4:3:1:	4:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-3:Br-1:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]O[5,6]O[6,6]H)(C[6]C[6]H)(Br)	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]Br)(C[6]C[6]H)(H)	Br(C[5,6,6]C[5,5,6,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]O[5,6]O[6,6]H)(C[6]C[6]H)(Br){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]Br)(C[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	Br(C[5,6,6]C[5,5,6,6]C[5,6,6]C[6])	107.5330	0.000	1	107.5330	0.000	1	107.5330	0.000	1	107.5330	0.000	1	107.5330	0.000	1	107.1005	0.374	2
474	762	924	0:SP3_SP-NON_SP2	C[5,6]	C[6]	Br	4:3:2:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:Br-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6,6a]O)(O[5]C[5,6a])(Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]Br)(O)	Br(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6a]O[6]H)(C[6]C[6,6a]O)(O[5]C[5,6a])(Br){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]Br)(O){1|O<2>,2|H<1>,4|C<3>}	Br(C[5,6]C[5,6]C[6]O[5])	106.6680	0.000	1	106.6680	0.000	1	106.6680	0.000	1	106.6680	0.000	1	106.6680	0.000	1	107.1005	0.374	2
474	762	930	0:SP3_SP2_SP2	C[5,5,6]	C[6]	C	4:4:3:3:	4:3:1:	4:1:1:	C[5,5,6]-4:C[5,5,6,6]-4:C[6]-3:C-3:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6]-4:H-1:O-1:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6,6]C[5,6]2C[6])(C[6]C[5,6]H)(CHO)	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]C)(C[5,6]C[5,6]C[5])(H)	C(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6])(H)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6,6]C[5,6]2C[6])(C[6]C[5,6]H)(CHO){2|O<2>,4|C<4>,6|H<1>}	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]C)(C[5,6]C[5,6]C[5])(H){3|H<1>,8|C<4>}	C(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6])(H)(O)	99.7675	0.000	1	99.7675	0.000	1	99.7675	0.000	1	99.7675	0.000	1	99.7675	0.000	1	108.4127	8.493	53
474	762	930	0:SP3_SP2_SP2	C[5,6]	C[6]	C	2:4:3:3:	4:4:1:	4:2:1:	O[5,6]-2:C[5]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:O-2:O-1:	C[5,6](O[5,6]C[5,6])(C[5]O[5]CH)(C[6]C[6]O)(COO)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(O)	C(C[5,6]O[5,6]C[5]C[6])(OC)(O)	C[5,6](O[5,6]C[5,6])(C[5]O[5]CH)(C[6]C[6]O)(COO){2|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C(C[5,6]O[5,6]C[5]C[6])(OC)(O)	110.5480	0.000	1	110.5480	0.000	1	110.5480	0.000	1	110.5480	0.000	1	108.5790	7.166	52	108.4127	8.493	53
474	762	930	0:SP3_SP2_SP2	C[5,6]	C[6]	C	2:4:3:3:	4:4:2:	4:2:1:	O[5,6]-2:C[5]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-4:N-2:	C[5,6]-4:O-2:O-1:	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]N)(COO)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(NO)	C(C[5,6]O[5,6]C[5]C[6])(OC[5,6])(O)	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]N)(COO){3|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(NO){2|C<4>,4|H<1>}	C(C[5,6]O[5,6]C[5]C[6])(OC[5,6])(O)	112.7200	0.000	1	112.7200	0.000	1	112.7200	0.000	1	112.7200	0.000	1	108.5790	7.166	52	108.4127	8.493	53
474	762	930	0:SP3_SP2_SP2	C[5,6]	C[6]	C	3:4:3:3:	4:4:1:	4:2:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]O)(COO)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(O)	C(C[5,6]C[5,6a]C[5,6]C[6])(OC)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]O)(COO){1|C<3>,1|C<4>,1|N<2>,7|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(O){2|C<3>,2|H<1>,3|C<4>}	C(C[5,6]C[5,6a]C[5,6]C[6])(OC)(O)	106.5460	0.000	1	106.5460	0.000	1	106.5460	0.000	1	106.5460	0.000	1	108.5790	7.166	52	108.4127	8.493	53
474	762	930	0:SP3_SP2_SP2	C[5,6]	C[6]	C	4:2:3:3:	4:3:2:	4:3:1:	C[5,6]-4:O[5]-2:C[6]-3:C-3:	C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:N-3:O-1:	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]O)(CNO)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(OH)	C(C[5,6]C[5,6]C[6]O[5])(NC[6a]H)(O)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]O)(CNO){3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(OH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(C[5,6]C[5,6]C[6]O[5])(NC[6a]H)(O)	108.5990	0.000	1	108.5990	0.000	1	108.5990	0.000	1	108.5990	0.000	1	108.5790	7.166	52	108.4127	8.493	53
474	762	930	0:SP3_SP2_SP2	C[5,6]	C[6]	C	4:2:3:3:	4:4:1:	4:1:1:	C[5]-4:O[5,6]-2:C[6]-3:C-3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:O-1:O-1:	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(COO)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(O)	C(C[5,6]O[5,6]C[5]C[6])(O)2	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(COO){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,3|H<1>}	C(C[5,6]O[5,6]C[5]C[6])(O)2	111.0900	0.000	1	111.0900	0.000	1	111.0900	0.000	1	111.0900	0.000	1	108.5790	7.166	52	108.4127	8.493	53
474	762	930	0:SP3_SP2_SP2	C[5,6]	C[6]	C	4:2:3:3:	4:4:1:	4:2:1:	C[5,5]-4:O[5,6]-2:C[6]-3:C-3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,5]C[5,5]C[5]O[5])(O[5,6]C[5,5,6])(C[6]C[6]O)(COO)	C[6](C[5,6]C[5,5]O[5,6]C)(C[6]C[6]HH)(O)	C(C[5,6]C[5,5]O[5,6]C[6])(OC)(O)	C[5,6](C[5,5]C[5,5]C[5]O[5])(O[5,6]C[5,5,6])(C[6]C[6]O)(COO){2|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,5]O[5,6]C)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[5,6]C[5,5]O[5,6]C[6])(OC)(O)	108.5280	0.000	1	108.5280	0.000	1	108.5280	0.000	1	109.9290	1.491	3	108.5790	7.166	52	108.4127	8.493	53
474	762	930	0:SP3_SP2_SP2	C[5,6]	C[6]	C	4:2:3:3:	4:4:1:	4:2:1:	C[5]-4:O[5,6]-2:C[6]-3:C-3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(COO)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(O)	C(C[5,6]O[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5]C[6a]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(COO){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,3|H<1>}	C(C[5,6]O[5,6]C[5]C[6])(OC)(O)	110.6295	0.196	2	110.6295	0.038	2	110.6295	0.038	2	109.9290	1.491	3	108.5790	7.166	52	108.4127	8.493	53
474	762	930	0:SP3_SP2_SP2	C[5,6]	C[6]	C	4:3:2:3:	4:3:1:	4:2:1:	C[5,6]-4:C[6]-3:O[5]-2:C-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(COO)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C(C[5,6]C[5,6]C[6]O[5])(OH)(O)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(COO){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(OH)(O)	108.6280	0.000	1	108.6280	0.000	1	108.6280	0.000	1	108.6280	0.000	1	108.5790	7.166	52	108.4127	8.493	53
474	762	930	0:SP3_SP2_SP2	C[5,6]	C[6]	C	4:3:2:3:	4:3:4:	4:3:1:	C[5,6]-4:C[6]-3:O[5]-2:C-3:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]C)(O[5]C[5])(CCH)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(CHHO)	C(C[5,6]C[5,6]C[6]O[5])(CCH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]C)(O[5]C[5])(CCH){1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(CHHO){1|C<3>,2|C<4>,3|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(CCH)(H)	111.0160	0.000	1	111.0160	0.000	1	111.0160	0.000	1	111.0160	0.000	1	108.5790	7.166	52	108.4127	8.493	53
474	762	930	0:SP3_SP2_SP2	C[5,6]	C[6]	C	4:3:3:3:	4:2:1:	4:2:1:	C[5,6]-4:C[6]-3:N[5]-3:C-3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]O[6]O)(N[5]C[5]H)(COO)	C[6](C[5,6]C[5,6]N[5]C)(O[6]C[6,6a])(O)	C(C[5,6]C[5,6]C[6]N[5])(OC)(O)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]O[6]O)(N[5]C[5]H)(COO){1|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]N[5]C)(O[6]C[6,6a])(O){2|C<3>,2|C<4>,2|H<1>}	C(C[5,6]C[5,6]C[6]N[5])(OC)(O)	107.1600	0.000	1	107.1600	0.000	1	107.1600	0.000	1	107.1600	0.000	1	108.5790	7.166	52	108.4127	8.493	53
474	762	930	0:SP3_SP2_SP2	C[5,6]	C[6]	C	4:3:3:3:	4:3:1:	4:2:1:	C[5,6]-4:C[5]-3:C[6]-3:C-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]C)(C[6]C[6]O)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(O)	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]C)(C[6]C[6]O)(COO){2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	111.0260	0.000	1	111.0260	0.000	1	111.0260	0.000	1	111.0260	0.000	1	108.5790	7.166	52	108.4127	8.493	53
474	762	930	0:SP3_SP2_SP2	C[5,6]	C[6]	C	4:3:3:3:	4:3:3:	4:2:1:	C[5,6]-4:C[5]-3:C[6]-3:C-3:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]C)(C[6]C[6]C)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(COO)	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]C)(C[6]C[6]C)(COO){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(COO){1|N<3>,2|H<1>,3|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	112.1730	0.000	1	112.1730	0.000	1	112.1730	0.000	1	112.1730	0.000	1	108.5790	7.166	52	108.4127	8.493	53
474	762	930	0:SP3_SP2_SP2	C[5,6]	C[6]	C	4:3:4:3:	3:4:1:	4:2:1:	C[5,6]-4:C[6]-3:C[5]-4:C-3:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O)	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH)(COO){1|S<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O){2|C<3>,3|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	108.0890	0.206	2	108.0890	0.043	2	108.0890	0.043	2	108.0890	0.043	2	108.5790	7.166	52	108.4127	8.493	53
474	762	930	0:SP3_SP2_SP2	C[5,6]	C[6]	C	4:4:3:3:	4:2:1:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]O)(COO)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(O)	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]O)(COO){2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(O){3|H<1>,4|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	106.5850	0.198	2	106.5850	0.039	2	105.8050	1.845	3	105.8050	1.845	3	108.5790	7.166	52	108.4127	8.493	53
474	762	930	0:SP3_SP2_SP2	C[5,6]	C[6]	C	4:4:3:3:	4:2:1:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]O[6]O)(COO)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(O)	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]HH)(C[6]O[6]O)(COO){1|Br<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	104.2450	0.000	1	104.2450	0.000	1	105.8050	1.845	3	105.8050	1.845	3	108.5790	7.166	52	108.4127	8.493	53
474	762	930	0:SP3_SP2_SP2	C[5,6]	C[6]	C	4:4:3:3:	4:2:1:	4:4:1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:C-4:O-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]O)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(O)	C(C[5,6]C[5,6]C[5]C[6])(CH3)(O)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]O[5]H)(C[6]O[6]O)(CCO){6|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(CH3)(O)	110.5420	0.000	1	110.5420	0.000	1	110.5420	0.000	1	110.5420	0.000	1	108.5790	7.166	52	108.4127	8.493	53
474	762	930	0:SP3_SP2_SP2	C[5,6]	C[6]	C	4:4:3:3:	4:3:1:	4:2:1:	C[3,5,6]-4:C[5,5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6,6a]O)(COO)	C[6](C[5,6]C[3,5,6]C[5,5,6]C)(C[6,6a]C[6,6a]C[6a])(O)	C(C[5,6]C[3,5,6]C[5,5,6]C[6])(OC)(O)	C[5,6](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,5,6]C[5,6]C[5]O[5])(C[6]C[6,6a]O)(COO){1|C<4>,1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[6](C[5,6]C[3,5,6]C[5,5,6]C)(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	C(C[5,6]C[3,5,6]C[5,5,6]C[6])(OC)(O)	114.8030	0.000	1	114.8030	0.000	1	114.8030	0.000	1	107.8347	8.996	25	108.5790	7.166	52	108.4127	8.493	53
474	762	930	0:SP3_SP2_SP2	C[5,6]	C[6]	C	4:4:3:3:	4:3:1:	4:2:1:	C[5,5,6]-4:C[5]-4:C[6]-3:C-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(COO)	C[6](C[5,6]C[5,5,6]C[5]C)(N[6]C[6,6a]H)(O)	C(C[5,6]C[5,5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(COO){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]C)(N[6]C[6,6a]H)(O){2|C<3>,2|H<1>,3|C<4>}	C(C[5,6]C[5,5,6]C[5]C[6])(OC)(O)	102.3570	0.113	2	102.3570	0.013	2	102.3570	0.013	2	107.8347	8.996	25	108.5790	7.166	52	108.4127	8.493	53
474	762	930	0:SP3_SP2_SP2	C[5,6]	C[6]	C	4:4:3:3:	4:3:1:	4:2:1:	C[5,6,6]-4:C[5]-4:C[6]-3:C-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]N[6]O)(COO)	C[6](C[5,6]C[5,6,6]C[5]C)(N[6]C[6,6]H)(O)	C(C[5,6]C[5,6,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]N[6]O)(COO){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]C)(N[6]C[6,6]H)(O){1|N<3>,3|H<1>,4|C<4>}	C(C[5,6]C[5,6,6]C[5]C[6])(OC)(O)	107.2981	1.534	12	107.2981	2.354	12	107.2981	2.354	12	107.8347	8.996	25	108.5790	7.166	52	108.4127	8.493	53
474	762	930	0:SP3_SP2_SP2	C[5,6]	C[6]	C	4:4:3:3:	4:3:1:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6]H)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6]H)(COO){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	107.7060	0.000	1	107.7060	0.000	1	110.9633	9.991	3	107.8347	8.996	25	108.5790	7.166	52	108.4127	8.493	53
474	762	930	0:SP3_SP2_SP2	C[5,6]	C[6]	C	4:4:3:3:	4:3:1:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]H)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]O[5]O[6]H)(C[5]C[5]CH)(C[6]C[6]H)(COO){1|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	112.5920	2.017	2	112.5920	4.067	2	110.9633	9.991	3	107.8347	8.996	25	108.5790	7.166	52	108.4127	8.493	53
474	762	930	0:SP3_SP2_SP2	C[5,6]	C[6]	C	4:4:3:3:	4:3:1:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]N[6]O)(COO)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]C)(O)	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]N[6]O)(COO){1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]C)(O){1|O<1>,3|C<4>,3|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	108.7730	0.000	1	108.7730	0.000	1	107.9834	4.745	7	107.8347	8.996	25	108.5790	7.166	52	108.4127	8.493	53
474	762	930	0:SP3_SP2_SP2	C[5,6]	C[6]	C	4:4:3:3:	4:3:1:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O)(COO)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]H)(O)	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O)(COO){1|N<3>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]H)(O){2|C<3>,2|C<4>,3|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	106.7103	2.664	3	107.9982	6.776	5	107.9834	4.745	7	107.8347	8.996	25	108.5790	7.166	52	108.4127	8.493	53
474	762	930	0:SP3_SP2_SP2	C[5,6]	C[6]	C	4:4:3:3:	4:3:1:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O)(COO)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]H)(O)	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O)(COO){3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]H)(O){2|C<3>,2|C<4>,3|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	109.9300	0.683	2	107.9982	6.776	5	107.9834	4.745	7	107.8347	8.996	25	108.5790	7.166	52	108.4127	8.493	53
474	762	930	0:SP3_SP2_SP2	C[5,6]	C[6]	C	4:4:3:3:	4:3:1:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]N[6]O)(COO)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]H)(O)	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]N[6]O)(COO){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]H)(O){1|N<3>,3|C<3>,3|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	107.1200	0.000	1	107.1200	0.000	1	107.9834	4.745	7	107.8347	8.996	25	108.5790	7.166	52	108.4127	8.493	53
474	762	930	0:SP3_SP2_SP2	C[5,6]	C[6]	C	4:4:3:3:	4:3:1:	4:3:1:	C[5,5,6]-4:C[5]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]N[5,6]H)(C[5]C[5,6]HH)(C[6]C[6]H)(CCH)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(H)	C(C[5,6]C[5,5,6]C[5]C[6])(CHH)(H)	C[5,6](C[5,5,6]C[5,5,6]N[5,6]H)(C[5]C[5,6]HH)(C[6]C[6]H)(CCH){1|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(H){1|N<3>,2|C<4>,5|H<1>}	C(C[5,6]C[5,5,6]C[5]C[6])(CHH)(H)	107.5290	2.274	2	107.5290	5.171	2	107.5290	5.171	2	109.2403	11.372	3	108.5790	7.166	52	108.4127	8.493	53
474	762	930	0:SP3_SP2_SP2	C[5,6]	C[6]	C	4:4:3:3:	4:3:1:	4:3:1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:N-3:O-1:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6]H)(CNO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)	C(C[5,6]C[5,6]C[5]C[6])(NC[6a]H)(O)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6]H)(CNO){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(NC[6a]H)(O)	112.6630	0.000	1	112.6630	0.000	1	112.6630	0.000	1	109.2403	11.372	3	108.5790	7.166	52	108.4127	8.493	53
474	762	930	0:SP3_SP2_SP2	C[5,6]	C[6]	C	4:4:3:3:	4:3:1:	4:4:1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C-4:O-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(H)	C(C[5,6]C[5,6]C[5]C[6])(CH3)(O)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]H)(CCO){2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(H){1|O<2>,3|H<1>,4|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(CH3)(O)	109.3050	0.000	1	109.3050	0.000	1	109.3050	0.000	1	109.3050	0.000	1	108.5790	7.166	52	108.4127	8.493	53
474	762	930	0:SP3_SP2_SP2	C[5,6]	C[6]	C	4:4:3:3:	4:3:3:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]HH)(C[6]C[6a]C[6])(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]H)	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]HH)(C[6]C[6a]C[6])(COO){1|H<1>,6|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,5|C<3>,5|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	110.4380	0.000	1	110.4380	0.000	1	110.4380	0.000	1	110.4380	0.000	1	108.5790	7.166	52	108.4127	8.493	53
474	762	930	0:SP3_SP2_SP2	C[5,6]	C[6]	C	4:4:3:3:	4:4:1:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O)	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O)(COO){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	109.0580	1.505	2	109.0580	2.264	2	109.0580	2.264	2	109.0580	2.264	2	108.5790	7.166	52	108.4127	8.493	53
474	762	930	0:SP3_SP2_SP2	C[5,6]	C[6]	C	4:4:3:3:	4:4:2:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-4:N-2:	C[5,6]-4:O-2:O-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]N)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(NN)	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]N)(COO){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(NN){3|H<1>,5|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(O)	111.2320	0.000	1	111.2320	0.000	1	111.2320	0.000	1	111.2320	0.000	1	108.5790	7.166	52	108.4127	8.493	53
474	762	941	0:SP3_SP2_SP2	C[5,6]	C[6]	N	4:3:2:2:	4:3:4:	4:3:	C[5,6]-4:C[6]-3:O[5]-2:N-2:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C-3:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]C)(O[5]C[5])(NC)	C[6](C[5,6]C[5,6]O[5]N)(C[6]C[6]H)(CH3)	N(C[5,6]C[5,6]C[6]O[5])(CC[6a]H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]C)(O[5]C[5])(NC){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]N)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	N(C[5,6]C[5,6]C[6]O[5])(CC[6a]H)	105.4780	0.000	1	105.4780	0.000	1	105.4780	0.000	1	105.4780	0.000	1	105.4780	0.000	1	105.4780	0.000	1
474	762	951	0:SP3_SP-NON_SP2	C[5,3x6]	C[6,6]	H	4:3:3:1:	4:4:1:	4:	C[5,6,6]-4:N[5,6,6]-3:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:O-1:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(N[5,6,6]C[6,6]O[5])(C[6,6]C[6,6]O)(H)	C[6,6](C[5,3x6]C[5,6,6]N[5,6,6]H)(C[6,6]C[3x6]HH)(O)	H(C[5,3x6]C[5,6,6]N[5,6,6]C[6,6])	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(N[5,6,6]C[6,6]O[5])(C[6,6]C[6,6]O)(H){2|C<4>,7|H<1>}	C[6,6](C[5,3x6]C[5,6,6]N[5,6,6]H)(C[6,6]C[3x6]HH)(O){1|O<2>,2|H<1>,3|C<4>}	H(C[5,3x6]C[5,6,6]N[5,6,6]C[6,6])	110.5463	0.029	3	110.5463	0.001	3	110.5463	0.001	3	110.5463	0.001	3	111.2641	0.603	17	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,3x6]	C[6,6]	H	4:4:3:1:	4:2:1:	4:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:O[6,6]-2:O-1:	C[5,3x6]-4:	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,6a]C[5])(C[5,6,6]C[6,6]C[5]H)(C[6,6]O[6,6]O)(H)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(O[6,6]C[3x6])(O)	H(C[5,3x6]C[5,5,6,6]C[5,6,6]C[6,6])	C[5,3x6](C[5,5,6,6]C[5,6,6]C[5,6a]C[5])(C[5,6,6]C[6,6]C[5]H)(C[6,6]O[6,6]O)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(O[6,6]C[3x6])(O){2|C<3>,2|H<1>,3|C<4>}	H(C[5,3x6]C[5,5,6,6]C[5,6,6]C[6,6])	110.8155	0.146	2	110.8155	0.021	2	110.8155	0.021	2	110.8155	0.021	2	111.2641	0.603	17	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,5,6,6]C[6,6]N[5,5]C[5])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]C)(H)	H(C[5,3x6]C[5,5,6,6]C[5,6,6]C[6,6])	C[5,3x6](C[5,5,6,6]C[6,6]N[5,5]C[5])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]C)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,3x6]C[5,5,6,6]C[5,6,6]C[6,6])	111.5700	0.000	1	111.5700	0.000	1	111.5430	0.063	3	111.6872	0.661	8	111.2641	0.603	17	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,5,6,6]C[6,6]N[5,5]C[5])(C[5,6,6]C[6,6]S[5]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]H)(H)	H(C[5,3x6]C[5,5,6,6]C[5,6,6]C[6,6])	C[5,3x6](C[5,5,6,6]C[6,6]N[5,5]C[5])(C[5,6,6]C[6,6]S[5]H)(C[6,6]C[6,6]H)(H){1|C<2>,1|O<2>,2|O<1>,3|C<4>,5|H<1>}	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]H)(H){1|N<3>,1|S<4>,2|H<1>,3|C<4>}	H(C[5,3x6]C[5,5,6,6]C[5,6,6]C[6,6])	111.2790	0.000	1	111.5295	0.126	2	111.5430	0.063	3	111.6872	0.661	8	111.2641	0.603	17	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[5,5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,5,6,6]C[6,6]N[5,5]C[5])(C[5,6,6]C[6,6]S[5]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]H)(H)	H(C[5,3x6]C[5,5,6,6]C[5,6,6]C[6,6])	C[5,3x6](C[5,5,6,6]C[6,6]N[5,5]C[5])(C[5,6,6]C[6,6]S[5]H)(C[6,6]C[6,6]H)(H){3|C<4>,3|O<1>,5|H<1>}	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]H)(H){1|C<3>,1|N<3>,1|S<4>,2|C<4>,2|H<1>}	H(C[5,3x6]C[5,5,6,6]C[5,6,6]C[6,6])	111.7800	0.000	1	111.5295	0.126	2	111.5430	0.063	3	111.6872	0.661	8	111.2641	0.603	17	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[3x6]-3:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[6,6]C[3x6]H)(H)	C[6,6](C[5,3x6]C[5,6,6]2H)(C[3x6]C[4x6]C[6])(H)	H(C[5,3x6]C[5,6,6]2C[6,6])	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]C)(C[6,6]C[3x6]H)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[5,3x6]C[5,6,6]2H)(C[3x6]C[4x6]C[6])(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>,3|O<2>}	H(C[5,3x6]C[5,6,6]2C[6,6])	111.4630	0.000	1	111.4630	0.000	1	111.2237	0.045	3	111.6872	0.661	8	111.2641	0.603	17	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[3x6]-3:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]O[6,6]C[5]C)(C[6,6]C[3x6]H)(H)	C[6,6](C[5,3x6]C[5,6,6]2H)(C[3x6]C[4x6]C[6])(H)	H(C[5,3x6]C[5,6,6]2C[6,6])	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]O[6,6]C[5]C)(C[6,6]C[3x6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,3x6]C[5,6,6]2H)(C[3x6]C[4x6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[5,3x6]C[5,6,6]2C[6,6])	111.1040	0.071	2	111.1040	0.005	2	111.2237	0.045	3	111.6872	0.661	8	111.2641	0.603	17	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(H)	H(C[5,3x6]C[5,6,6]2C[6,6])	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]H)(H){2|C<4>,2|H<1>,2|O<1>}	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,3x6]C[5,6,6]2C[6,6])	113.6090	0.000	1	113.6090	0.000	1	112.5990	2.040	2	111.6872	0.661	8	111.2641	0.603	17	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,3x6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[6,6]H)(H)	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(H)	H(C[5,3x6]C[5,6,6]2C[6,6])	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[6,6]H)(H){1|C<4>,1|O<1>,5|H<1>}	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,3x6]C[5,6,6]2C[6,6])	111.5890	0.000	1	111.5890	0.000	1	112.5990	2.040	2	111.6872	0.661	8	111.2641	0.603	17	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,3x6]	C[6,6]	H	4:4:3:1:	4:3:2:	4:	C[3x5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-3:O-2:	C[5,3x6]-4:	C[5,3x6](C[3x5,6,6]C[3x5,6,6]C[5,5]C[5])(C[5,6,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]O)(H)	C[6,6](C[5,3x6]C[3x5,6,6]C[5,6,6]H)(C[6,6]C[5,3x6]C)(OC)	H(C[5,3x6]C[3x5,6,6]C[5,6,6]C[6,6])	C[5,3x6](C[3x5,6,6]C[3x5,6,6]C[5,5]C[5])(C[5,6,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]O)(H){2|C<3>,3|O<2>,5|C<4>}	C[6,6](C[5,3x6]C[3x5,6,6]C[5,6,6]H)(C[6,6]C[5,3x6]C)(OC){1|C<3>,3|C<4>,3|O<2>}	H(C[5,3x6]C[3x5,6,6]C[5,6,6]C[6,6])	111.4180	0.000	1	111.4180	0.000	1	111.4180	0.000	1	111.4180	0.000	1	111.2641	0.603	17	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,3x6]	C[6,6]	H	4:4:3:1:	4:3:3:	4:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-3:C-3:	C[5,3x6]-4:	C[5,3x6](C[5,3x6]C[3x6]O[5]O[6])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]C)(H)	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]H)(CCH)	H(C[5,3x6]C[5,3x6]C[5,6,6]C[6,6])	C[5,3x6](C[5,3x6]C[3x6]O[5]O[6])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]H)(CCH){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,3x6]C[5,3x6]C[5,6,6]C[6,6])	111.7410	0.000	1	111.7410	0.000	1	111.7410	0.000	1	111.1010	0.753	3	111.2641	0.603	17	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,3x6]	C[6,6]	H	4:4:3:1:	4:3:3:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-3:C-3:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[6,6]C)(H)	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(CCH)	H(C[5,3x6]C[5,6,6]2C[6,6])	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[6,6]C)(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]H)(CCH){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[5,3x6]C[5,6,6]2C[6,6])	111.4490	0.000	1	111.4490	0.000	1	111.4490	0.000	1	111.1010	0.753	3	111.2641	0.603	17	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,3x6]	C[6,6]	H	4:4:3:1:	4:3:3:	4:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-3:C[6a]-3:	C[5,3x6]-4:	C[5,3x6](C[5,6,6]C[6,6]C[6a]C[5])(C[5,6,6]O[6,6]C[6a]C[5])(C[6,6]C[6,6]C[6a])(H)	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]C[6a])(C[6a]C[6a]2)	H(C[5,3x6]C[5,6,6]2C[6,6])	C[5,3x6](C[5,6,6]C[6,6]C[6a]C[5])(C[5,6,6]O[6,6]C[6a]C[5])(C[6,6]C[6,6]C[6a])(H){10|C<3>,1|C<4>,1|H<1>}	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]C[6a])(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,9|C<3>}	H(C[5,3x6]C[5,6,6]2C[6,6])	110.1130	0.000	1	110.1130	0.000	1	110.1130	0.000	1	111.1010	0.753	3	111.2641	0.603	17	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,5,6,6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[6,6]-3:H-1:	C[5,5,6,6]-4:C[6,6]-3:H-1:	C[5,5,6,6]-4:	C[5,5,6,6](C[5,5,6,6]C[3,5,6,6]C[5,6]Si)(C[5,5,6,6]C[3,5,6,6]C[5,6]H)(C[6,6]C[6,6]H)(H)	C[6,6](C[5,5,6,6]C[5,5,6,6]2H)(C[6,6]C[3,6,6]H)(H)	H(C[5,5,6,6]C[5,5,6,6]2C[6,6])	C[5,5,6,6](C[5,5,6,6]C[3,5,6,6]C[5,6]Si)(C[5,5,6,6]C[3,5,6,6]C[5,6]H)(C[6,6]C[6,6]H)(H){2|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[5,5,6,6]C[5,5,6,6]2H)(C[6,6]C[3,6,6]H)(H){1|Si<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,5,6,6]C[5,5,6,6]2C[6,6])	111.2530	0.000	1	111.2530	0.000	1	111.2530	0.000	1	111.2530	0.000	1	111.2530	0.000	1	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[6,6]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[6,6]-3:H-1:	C[5,5,6]-4:C[6,6]-3:C[6]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,5,6]C[5,6,6a]N[5,6]H)(C[6,6]C[6,6]C[6])(H)	C[6,6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6,6])	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,5,6]C[5,6,6a]N[5,6]H)(C[6,6]C[6,6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6,6])	111.6810	0.000	1	111.6810	0.000	1	111.8925	0.089	2	111.8925	0.089	2	111.8925	0.089	2	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[6,6]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[6,6]-3:H-1:	C[5,5,6]-4:C[6,6]-3:C[6]-3:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,5,6]C[5,6,6a]O[5,6]H)(C[6,6]C[6,6]C[6])(H)	C[6,6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6,6])	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,5,6]C[5,6,6a]O[5,6]H)(C[6,6]C[6,6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6,6])	112.1040	0.000	1	112.1040	0.000	1	111.8925	0.089	2	111.8925	0.089	2	111.8925	0.089	2	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:C[6]-3:H-1:	C[5,5,6]-4:	C[5,5,6](C[5,5,6,6]C[5,6,6]O[5,6]C)(C[5,5,6]C[5,6]2C)(C[6]C[6]H)(H)	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]C)(H)	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6])	C[5,5,6](C[5,5,6,6]C[5,6,6]O[5,6]C)(C[5,5,6]C[5,6]2C)(C[6]C[6]H)(H){3|C<4>,4|H<1>}	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]C)(H){1|H<1>,2|O<2>,5|C<4>}	H(C[5,5,6]C[5,5,6,6]C[5,5,6]C[6])	111.3760	0.000	1	111.3760	0.000	1	111.3760	0.000	1	111.3760	0.000	1	111.3760	0.000	1	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[4x6]	H	4:3:3:1:	4:4:3:	4:	C[5,4x6]-4:C[4x6]-3:N[5]-3:H-1:	C[5,6,6]-4:C[6x6]-4:C[6,6]-3:	C[5,6,6]-4:	C[5,6,6](C[5,4x6]C[3x6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6])(N[5]C[5]C)(H)	C[4x6](C[5,6,6]C[5,4x6]N[5]H)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]H)	H(C[5,6,6]C[5,4x6]C[4x6]N[5])	C[5,6,6](C[5,4x6]C[3x6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6])(N[5]C[5]C)(H){1|O<2>,5|H<1>,7|C<4>}	C[4x6](C[5,6,6]C[5,4x6]N[5]H)(C[6x6]C[4x6]C[6,6]2)(C[6,6]C[3x6]H){1|O<2>,5|H<1>,7|C<4>}	H(C[5,6,6]C[5,4x6]C[4x6]N[5])	109.6310	0.000	1	109.6310	0.000	1	109.6310	0.000	1	109.6310	0.000	1	109.6310	0.000	1	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6,6]	H	3:4:3:1:	4:3:3:	4:	N[5,6]-3:C[5,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[5,6,6]-4:	C[5,6,6](N[5,6]C[6,6a]C[5])(C[5,6]C[6]O[5]C)(C[6,6]C[6]2)(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6,6a]O)(C[6]C[6]O)	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](N[5,6]C[6,6a]C[5])(C[5,6]C[6]O[5]C)(C[6,6]C[6]2)(H){1|H<1>,1|O<2>,2|O<1>,3|C<3>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6,6a]O)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	110.0200	0.000	1	110.0200	0.000	1	110.0200	0.000	1	110.0200	0.000	1	111.0063	15.063	28	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6,6]	H	3:4:3:1:	4:4:3:	4:	N[5,6]-3:C[5,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[5,6,6]-4:	C[5,6,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]N[6]H)(C[6,6]C[6]2)(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6,6a]HH)(C[6]C[6]H)	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]N[6]H)(C[6,6]C[6]2)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6,6a]HH)(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	109.5270	0.000	1	109.5270	0.000	1	109.5270	0.000	1	109.5270	0.000	1	111.0063	15.063	28	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6,6]	H	4:3:2:1:	4:4:1:	4:	C[5,3x6]-4:C[6,6]-3:O[5]-2:H-1:	C[5,6,6]-4:C[3x6]-4:O-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(O[5]C[5])(H)	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O)	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]O)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2H)(O){2|C<3>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	111.9660	0.000	1	111.9660	0.000	1	111.8995	0.009	2	111.8995	0.009	2	111.0063	15.063	28	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6,6]	H	4:3:2:1:	4:4:1:	4:	C[5,3x6]-4:C[6,6]-3:O[5]-2:H-1:	C[5,6,6]-4:C[3x6]-4:O-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(O[5]C[5])(H)	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2C)(O)	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,3x6]O[5]H)(C[3x6]C[6,6]2C)(O){2|C<3>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]O[5])	111.8330	0.000	1	111.8330	0.000	1	111.8995	0.009	2	111.8995	0.009	2	111.0063	15.063	28	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6,6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[5,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[3,5,6]C[5a]H)(C[5,6]C[3,5,6]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[3,6,6]H)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[3,5,6]C[5a]H)(C[5,6]C[3,5,6]C)(C[6,6]C[6,6]H)(H){1|C<3>,1|C<4>,1|N<2>,1|S<2>,2|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[3,6,6]H)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	114.2560	0.000	1	114.2560	0.000	1	113.6525	0.728	2	113.6525	0.728	2	111.0063	15.063	28	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6,6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[5,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[3,5,6]C[6]H)(C[5,6]C[3,5,6]C)(C[6,6]C[6,6]H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[3,6,6]H)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[3,5,6]C[6]H)(C[5,6]C[3,5,6]C)(C[6,6]C[6,6]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[3,6,6]H)(H){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	113.0490	0.000	1	113.0490	0.000	1	113.6525	0.728	2	113.6525	0.728	2	111.0063	15.063	28	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6,6]	H	4:3:3:1:	4:3:3:	4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6]2)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]H)2	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5,6a]C[6])(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	107.7820	0.000	1	107.7820	0.000	1	107.7820	0.000	1	109.2145	4.104	2	111.0063	15.063	28	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6,6]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[5,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[6]O[5]H)(C[5,6]C[6]N[5])(C[6,6]C[6]2)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6a]C[6])(C[6]C[6]H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[6]O[5]H)(C[5,6]C[6]N[5])(C[6,6]C[6]2)(H){2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6a]C[6])(C[6]C[6]H){1|C<4>,1|N<2>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	110.6470	0.000	1	110.6470	0.000	1	110.6470	0.000	1	109.2145	4.104	2	111.0063	15.063	28	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6,6]	H	4:3:3:1:	4:3:4:	4:	C[5,6]-4:N[5,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[6]-3:C[6]-4:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,6a]C[6,6a]H)(N[5,6]C[5,6a]C[6,6a])(C[6,6]C[6]2)(H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6,6a]C[6a])(C[6]C[6,6a]HH)	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	C[5,6,6](C[5,6]C[5,6a]C[6,6a]H)(N[5,6]C[5,6a]C[6,6a])(C[6,6]C[6]2)(H){2|H<1>,7|C<3>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,8|C<3>}	H(C[5,6,6]C[5,6]C[6,6]N[5,6])	109.4650	0.000	1	109.4650	0.000	1	109.4650	0.000	1	109.4650	0.000	1	111.0063	15.063	28	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6,6]	H	4:3:3:1:	4:4:1:	4:	C[5,3x6]-4:C[5]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:O-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5]C[6a]N[5])(C[6,6]C[3x6]O)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(O)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[5]C[6a]N[5])(C[6,6]C[3x6]O)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(O){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	114.4928	0.156	4	114.4928	0.024	4	114.4928	0.024	4	113.4672	4.210	6	111.0063	15.063	28	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6,6]	H	4:3:3:1:	4:4:1:	4:	C[5,3x6]-4:C[6,6]-3:C[5]-3:H-1:	C[5,6,6]-4:C[3x6]-4:O-1:	C[5,6,6]-4:	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[5]N[5]O)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[3x6]C[6,6]H)(O)	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	C[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]O)(C[5]N[5]O)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[3x6]C[6,6]H)(O){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,3x6]C[6,6]C[5])	113.4600	0.000	1	113.4600	0.000	1	113.4600	0.000	1	113.4672	4.210	6	111.0063	15.063	28	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6,6]	H	4:3:3:1:	4:4:1:	4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:O-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6,6]O)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(O)	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6,6]O)(H){1|C<4>,1|N<3>,3|C<3>,7|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(O){2|H<1>,3|C<3>,3|C<4>}	H(C[5,6,6]C[5,5,6]C[6,6]N[5,6])	109.3720	0.000	1	109.3720	0.000	1	109.3720	0.000	1	113.4672	4.210	6	111.0063	15.063	28	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6,6]	H	4:3:3:1:	4:4:3:	4:	C[5,6]-4:C[5,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[6]N[5]H)(C[5,6]C[5]C[6])(C[6,6]C[6]2)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[6]N[5]H)(C[5,6]C[5]C[6])(C[6,6]C[6]2)(H){1|C<3>,1|C<4>,1|S<4>,7|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	109.2990	0.000	1	109.2990	0.000	1	109.2990	0.000	1	109.2990	0.000	1	111.0063	15.063	28	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6,6]	H	4:3:4:1:	4:4:1:	4:	C[5,6,6]-4:C[6,6]-3:C[5]-4:H-1:	C[5,6,6]-4:C[4,6,6]-4:O-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[4,6,6]C[5]C)(C[6,6]C[4,6,6]O)(C[5]C[5]CH)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[4,6,6]C[4,6]2H)(O)	H(C[5,6,6]C[5,6,6]C[6,6]C[5])	C[5,6,6](C[5,6,6]C[4,6,6]C[5]C)(C[6,6]C[4,6,6]O)(C[5]C[5]CH)(H){2|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[4,6,6]C[4,6]2H)(O){3|H<1>,7|C<4>}	H(C[5,6,6]C[5,6,6]C[6,6]C[5])	107.9080	0.000	1	107.9080	0.000	1	107.9080	0.000	1	107.9080	0.000	1	111.0063	15.063	28	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[3,5,6,6]HH)2(C[6,6]C[6,6]H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[3,6,6]H)(H)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[3,5,6,6]HH)2(C[6,6]C[6,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[3,6,6]H)(H){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	113.0120	0.000	1	113.0120	0.000	1	113.0120	0.000	1	113.0120	0.000	1	111.0063	15.063	28	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:3:3:	4:	C[5,6,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)2	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2)(H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)2{1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	110.8480	0.000	1	109.3710	4.363	2	109.3710	4.363	2	109.3710	4.363	2	111.0063	15.063	28	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:3:3:	4:	C[5,6,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)2	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]O)(C[6,6]C[6]2)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)2{2|O<2>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,6,6]C[5,6]C[6,6])	107.8940	0.000	1	109.3710	4.363	2	109.3710	4.363	2	109.3710	4.363	2	111.0063	15.063	28	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:4:1:	4:	C[5,6,6]-4:C[5,3x6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:O-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,3x6]C[6,6]Cl)(C[5,3x6]C[5,4x6]C[6,6]H)(C[6,6]C[3x6]O)(H)	C[6,6](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[3x6]C[4x6]C[6,6]H)(O)	H(C[5,6,6]C[5,3x6]C[5,6,6]C[6,6])	C[5,6,6](C[5,6,6]C[5,3x6]C[6,6]Cl)(C[5,3x6]C[5,4x6]C[6,6]H)(C[6,6]C[3x6]O)(H){2|Cl<1>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,3x6]C[5,6,6]H)(C[3x6]C[4x6]C[6,6]H)(O){1|Cl<1>,4|H<1>,5|C<4>}	H(C[5,6,6]C[5,3x6]C[5,6,6]C[6,6])	111.9630	0.000	1	111.9630	0.000	1	111.9630	0.000	1	112.2224	0.254	7	111.0063	15.063	28	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:O-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[3,5,6,6]HH)(C[5,6]C[3,5,6]CH)(C[6,6]C[6,6]O)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[3,3x6]HH)(O)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[3,5,6,6]HH)(C[5,6]C[3,5,6]CH)(C[6,6]C[6,6]O)(H){2|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[3,3x6]HH)(O){3|H<1>,4|C<4>}	H(C[5,6,6]C[5,6]2C[6,6])	112.5330	0.073	3	112.5330	0.005	3	112.1568	0.273	5	112.2224	0.254	7	111.0063	15.063	28	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:O-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]N[5,6]C[6]H)(C[5,6]C[5,6,6]HH)(C[6,6]C[6,6]O)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6]S[6]H)(O)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]N[5,6]C[6]H)(C[5,6]C[5,6,6]HH)(C[6,6]C[6,6]O)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6]S[6]H)(O){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	111.5925	0.139	2	111.5925	0.019	2	112.1568	0.273	5	112.2224	0.254	7	111.0063	15.063	28	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[5,6,6]-4:O-1:	C[5,6,6]-4:	C[5,6,6](C[5,6]C[5,6,6]HH)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2H)(O)	H(C[5,6,6]C[5,6]2C[6,6])	C[5,6,6](C[5,6]C[5,6,6]HH)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]O)(H){6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2H)(O){1|O<2>,4|C<4>,5|H<1>}	H(C[5,6,6]C[5,6]2C[6,6])	112.8100	0.000	1	112.8100	0.000	1	112.8100	0.000	1	112.2224	0.254	7	111.0063	15.063	28	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6,6]	H	4:4:3:1:	4:4:3:	4:	C[5,5,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6]2)(H)	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6]CH)(C[6]O[6]O)	H(C[5,6,6]C[5,5,6]C[5,6]C[6,6])	C[5,6,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6]2)(H){1|O<1>,1|O<2>,2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6]CH)(C[6]O[6]O){1|O<2>,2|H<1>,5|C<4>}	H(C[5,6,6]C[5,5,6]C[5,6]C[6,6])	94.3091	0.000	1	94.3091	0.000	1	94.3091	0.000	1	94.3091	0.000	1	111.0063	15.063	28	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	N[5,6,6]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:H-1:	C[5,6,6]-4:	C[5,6,6](N[5,6,6]C[6,6]N[5])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]H)(H)	C[6](C[5,6,6]N[5,6,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H)	H(C[5,6,6]N[5,6,6]C[5,6]C[6])	C[5,6,6](N[5,6,6]C[6,6]N[5])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]H)(H){1|O<2>,1|S<4>,3|C<3>,4|H<1>}	C[6](C[5,6,6]N[5,6,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	H(C[5,6,6]N[5,6,6]C[5,6]C[6])	108.5730	0.000	1	108.5730	0.000	1	108.5730	0.000	1	108.5730	0.000	1	108.1995	2.329	63	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6]	H	4:2:3:1:	4:3:1:	4:	C[5,5,6,6]-4:S[5,6]-2:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(S[5,6]C[5,5,6,6])(C[6]C[6]H)(H)	C[6](C[5,6,6]C[5,5,6,6]S[5,6]H)(C[6]C[6]H)(H)	H(C[5,6,6]C[5,5,6,6]S[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(S[5,6]C[5,5,6,6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[5,6,6]C[5,5,6,6]S[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|O<2>,3|C<4>}	H(C[5,6,6]C[5,5,6,6]S[5,6]C[6])	109.3775	0.080	2	109.3775	0.006	2	109.3775	0.006	2	109.3775	0.006	2	108.1995	2.329	63	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6,6]-4:N[5,5,6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]N[5a,6]H)(N[5,5,6]C[5,6]S[5,5])(C[6]C[6]H)(H)	C[6](C[5,6,6]C[5,6,6]N[5,5,6]H)(C[6]N[5a,6]H)(H)	H(C[5,6,6]C[5,6,6]N[5,5,6]C[6])	C[5,6,6](C[5,6,6]C[5,5,6]N[5a,6]H)(N[5,5,6]C[5,6]S[5,5])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,2|O<1>,4|H<1>}	C[6](C[5,6,6]C[5,6,6]N[5,5,6]H)(C[6]N[5a,6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|S<4>,2|C<4>}	H(C[5,6,6]C[5,6,6]N[5,5,6]C[6])	107.2635	0.385	2	107.2635	0.149	2	107.2635	0.149	2	107.2635	0.149	2	108.1995	2.329	63	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:O[6]-2:O-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]O[6]O)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[6]C[6])(O)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]Cl)(C[5,6,6]C[5,5,6]C[6]H)(C[6]O[6]O)(H){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,3|O<2>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[6]C[6])(O){1|Cl<1>,1|C<3>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.4100	0.180	2	108.4100	0.032	2	108.4100	0.032	2	108.7076	0.200	5	108.1995	2.329	63	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:N[6]-2:O-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]N[6]O)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[6]C[5,6])(O)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]N[6]O)(H){3|C<3>,4|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[6]C[5,6])(O){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.9060	0.486	3	108.9060	0.237	3	108.9060	0.237	3	108.7076	0.200	5	108.1995	2.329	63	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:O-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[6]C[6]O)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]H)(O)	H(C[5,6,6]C[5,5,6,6]C[5,5,6]C[6])	C[5,6,6](C[5,5,6,6]C[3x5,6]C[5,6]H)(C[5,5,6]C[5,6]O[5,5]H)(C[6]C[6]O)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,5,6]C[6])	110.8120	0.000	1	110.8120	0.000	1	110.8120	0.000	1	108.2631	1.859	42	108.1995	2.329	63	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:O-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]C[5,6]O[6,6]C)(C[6]C[6]O)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]H)(C[6]C[6]H)(O)	H(C[5,6,6]C[5,5,6,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6]C[5,6]O[6,6]C)(C[6]C[6]O)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]H)(C[6]C[6]H)(O){1|O<2>,2|H<1>,4|C<4>}	H(C[5,6,6]C[5,5,6,6]C[5,6,6]C[6])	109.0770	0.000	1	109.0770	0.000	1	109.0770	0.000	1	108.2631	1.859	42	108.1995	2.329	63	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5]C[6,6]O[5,6])(C[5,6]C[5,5,6]HH)(C[6]C[6]H)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6,6]H)(H)	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,5]C[6,6]O[5,6])(C[5,6]C[5,5,6]HH)(C[6]C[6]H)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6,6]H)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	112.3740	0.000	1	112.3740	0.000	1	112.3740	0.000	1	108.2631	1.859	42	108.1995	2.329	63	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:N[6,6]-3:O-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[6]N[6,6]O)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6,6]C[6,6a]C[6,6])(O)	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[6]N[6,6]O)(H){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6,6]C[6,6a]C[6,6])(O){3|C<3>,3|H<1>,4|C<4>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	106.7260	0.000	1	106.7260	0.000	1	106.7260	0.000	1	108.2631	1.859	42	108.1995	2.329	63	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:N[6]-3:O-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[6]N[6]O)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6]C[6a]C[6])(O)	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]CH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6]C[6a]C[6])(O){3|C<3>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	107.6870	0.000	1	107.6870	0.000	1	108.5783	0.686	3	108.2631	1.859	42	108.1995	2.329	63	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:N[6]-3:O-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[6]N[6]O)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6]C[6a]C[6])(O)	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[6]N[6]O)(H){2|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6]C[6a]C[6])(O){2|C<3>,3|C<4>,5|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	108.7240	0.000	1	108.7240	0.000	1	108.5783	0.686	3	108.2631	1.859	42	108.1995	2.329	63	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:N[6]-3:O-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]N[6]O)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6]C[6]C)(O)	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]N[6]O)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6]C[6]C)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	109.3240	0.000	1	109.3240	0.000	1	108.5783	0.686	3	108.2631	1.859	42	108.1995	2.329	63	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H){1|O<1>,3|C<3>,4|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	106.1158	0.942	4	107.0654	1.858	8	107.8479	1.770	17	108.2631	1.859	42	108.1995	2.329	63	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H){1|O<1>,3|C<3>,4|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O){2|C<4>,3|H<1>,4|C<3>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.0150	1.021	4	107.0654	1.858	8	107.8479	1.770	17	108.2631	1.859	42	108.1995	2.329	63	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H){2|O<1>,7|C<3>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,2|H<1>,6|C<3>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	106.9980	0.000	1	106.9980	0.000	1	107.8479	1.770	17	108.2631	1.859	42	108.1995	2.329	63	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H){1|H<1>,1|O<1>,5|C<3>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,3|H<1>,5|C<3>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.7373	0.751	7	108.7373	0.564	7	107.8479	1.770	17	108.2631	1.859	42	108.1995	2.329	63	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:O-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6a]O)(H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.7320	0.000	1	108.7320	0.000	1	107.8479	1.770	17	108.2631	1.859	42	108.1995	2.329	63	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]Br)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]Br)(H){1|Br<1>,1|C<3>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	107.7550	0.191	2	107.7550	0.036	2	108.9880	4.579	3	108.2631	1.859	42	108.1995	2.329	63	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(H)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	111.4540	0.000	1	111.4540	0.000	1	108.9880	4.579	3	108.2631	1.859	42	108.1995	2.329	63	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:O-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]C)(C[6]C[6]O)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]C)(O)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]C)(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]C)(O){2|C<3>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	107.3720	0.000	1	107.3720	0.000	1	108.0764	0.272	13	108.2631	1.859	42	108.1995	2.329	63	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:O-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]C)(C[6]C[6]O)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]O)(O)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]C)(C[6]C[6]O)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]O)(O){2|C<3>,2|H<1>,3|C<4>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	106.8940	0.000	1	106.8940	0.000	1	108.0764	0.272	13	108.2631	1.859	42	108.1995	2.329	63	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:O-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]O)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(O)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]O)(H){1|O<1>,2|C<3>,5|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(O){2|C<3>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.2749	0.303	8	108.2749	0.092	8	108.0764	0.272	13	108.2631	1.859	42	108.1995	2.329	63	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:O-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]S)(C[6]C[6]O)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]C)(O)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]S)(C[6]C[6]O)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]C)(O){1|H<1>,2|C<3>,2|C<4>,2|S<2>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	107.7910	0.000	1	107.7910	0.000	1	108.0764	0.272	13	108.2631	1.859	42	108.1995	2.329	63	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:O-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[3,6]H)(C[6]C[6]O)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(O)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[3,6]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.0890	0.000	1	108.0890	0.000	1	108.0764	0.272	13	108.2631	1.859	42	108.1995	2.329	63	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:O-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[4,6]H)(C[6]C[6]O)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(O)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6]C[5,5,6]C[4,6]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.6480	0.000	1	108.6480	0.000	1	108.0764	0.272	13	108.2631	1.859	42	108.1995	2.329	63	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:N[6]-3:O-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6]N[6]O)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[6]C[6]C)(O)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6]N[6]O)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	107.3950	0.000	1	107.3950	0.000	1	107.3950	0.000	1	108.2631	1.859	42	108.1995	2.329	63	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	P[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:	C[5,6,6](P[5,5,6]C[5,6,6a]O[5,5]Mo)(C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6,6]C[5,6,6]P[5,5,6]H)(C[6]C[5,6]H)(H)	H(C[5,6,6]C[5,6,6]P[5,5,6]C[6])	C[5,6,6](P[5,5,6]C[5,6,6a]O[5,5]Mo)(C[5,6,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[5,6,6]C[5,6,6]P[5,5,6]H)(C[6]C[5,6]H)(H){1|Mo<6>,1|C<4>,1|O<2>,1|P<4>,2|C<3>,2|H<1>}	H(C[5,6,6]C[5,6,6]P[5,5,6]C[6])	109.5590	0.000	1	109.5590	0.000	1	109.5590	0.000	1	108.2631	1.859	42	108.1995	2.329	63	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6]	H	4:4:3:1:	4:3:2:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6,6]-3:O-2:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6]O)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6]C[6,6]C[6])(OH)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6,6]O)(H){1|Si<4>,1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6]C[6,6]C[6])(OH){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	109.3030	0.000	1	109.3030	0.000	1	109.3030	0.000	1	109.3030	0.000	1	108.1995	2.329	63	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[3x6]-4:O-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[3x5,6]C[5]H)(C[6]C[3x6]O)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[3x6]C[3x6]2H)(O)	H(C[5,6,6]C[5,5,6,6]C[5,5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[3x5,6]C[5]H)(C[6]C[3x6]O)(H){1|Cl<1>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[3x6]C[3x6]2H)(O){1|C<3>,4|H<1>,6|C<4>}	H(C[5,6,6]C[5,5,6,6]C[5,5,6]C[6])	111.3940	0.000	1	111.3940	0.000	1	111.3940	0.000	1	107.4826	6.082	10	108.1995	2.329	63	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:O-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[3x5,6]C[5]H)(C[6]C[6,6]O)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6,6]C[6,6]C[6]H)(O)	H(C[5,6,6]C[5,5,6,6]C[5,5,6]C[6])	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[3x5,6]C[5]H)(C[6]C[6,6]O)(H){1|Cl<1>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6,6]C[6,6]C[6]H)(O){5|H<1>,6|C<4>}	H(C[5,6,6]C[5,5,6,6]C[5,5,6]C[6])	111.2980	0.000	1	111.2980	0.000	1	111.2980	0.000	1	107.4826	6.082	10	108.1995	2.329	63	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:O-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6,6]O)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)2(O)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6,6]O)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)2(O){3|C<3>,4|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	105.3515	0.978	4	105.3515	0.956	4	105.3515	0.956	4	107.4826	6.082	10	108.1995	2.329	63	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:O-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]O)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]C)(O)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]O)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]C)(O){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.0690	0.000	1	108.0690	0.000	1	107.0840	1.940	2	107.4826	6.082	10	108.1995	2.329	63	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:O-1:	C[5,6,6]-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]O)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]H)(O)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[5,6]O)(H){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]H)(O){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	106.0990	0.000	1	106.0990	0.000	1	107.0840	1.940	2	107.4826	6.082	10	108.1995	2.329	63	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:O-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]O)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]O[5,6]C[5]H)(O)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[5,6]O)(H){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]O[5,6]C[5]H)(O){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	108.6750	0.000	1	108.6750	0.000	1	108.6750	0.000	1	107.4826	6.082	10	108.1995	2.329	63	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,6,6]-4:C[5,5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-4:O-1:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[3,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[3,6]HH)(O)	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	C[5,6,6](C[5,6,6]C[5,5,6]C[3,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[3,6]HH)(O){1|C<3>,3|H<1>,4|C<4>}	H(C[5,6,6]C[5,5,6]C[5,6,6]C[6])	107.8850	0.000	1	107.8850	0.000	1	107.8850	0.000	1	107.4826	6.082	10	108.1995	2.329	63	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6]	H	3:3:2:1:	4:3:3:	4:	C[5,6a]-3:C[6,6]-3:O[5,6]-2:H-1:	C[5,6]-4:C[6,6a]-3:C[6,6]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6a]C[6,6])(O[5,6]C[5,6])(H)	C[6,6](C[5,6]C[5,6a]O[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])	H(C[5,6]C[5,6a]C[6,6]O[5,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6a]C[6,6])(O[5,6]C[5,6])(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6](C[5,6]C[5,6a]O[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]){2|C<4>,3|H<1>,5|C<3>}	H(C[5,6]C[5,6a]C[6,6]O[5,6])	113.3680	0.000	1	113.3680	0.000	1	113.3680	0.000	1	113.3680	0.000	1	108.5920	2.923	64	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6]	H	3:3:4:1:	4:3:4:	4:	C[6,6]-3:N[5,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(N[5,6]C[5]C[6])(C[5]O[5]HH)(H)	C[6,6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[5,6]C[6,6]N[5,6]C[5])	C[5,6](C[6,6]C[6,6]C[6])(N[5,6]C[5]C[6])(C[5]O[5]HH)(H){1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,7|H<1>}	H(C[5,6]C[6,6]N[5,6]C[5])	109.5810	0.000	1	109.5810	0.000	1	109.5810	0.000	1	109.5810	0.000	1	108.5920	2.923	64	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6]	H	3:3:4:1:	4:4:3:	4:	C[5,6a]-3:C[6,6]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(H)	C[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[6a]C[6]2)(C[6]C[6,6a]C[6a])	H(C[5,6]C[5,6a]C[5,6]C[6,6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(H){1|C<4>,2|H<1>,6|C<3>}	C[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[6a]C[6]2)(C[6]C[6,6a]C[6a]){1|C<4>,1|O<1>,4|H<1>,8|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6,6])	107.8400	0.000	1	107.8400	0.000	1	107.8400	0.000	1	107.8400	0.000	1	108.5920	2.923	64	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6]	H	3:4:2:1:	4:3:2:	4:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-3:O[6]-2:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]O[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6])(O[6]C[6,6])	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]O[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6])(O[6]C[6,6]){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	110.0700	0.412	2	110.0700	0.169	2	110.0700	0.169	2	110.0700	0.169	2	108.5920	2.923	64	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6]	H	3:4:2:1:	4:3:3:	4:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-3:N[6]-3:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]N[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2)(N[6]C[6]O)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]N[6])(C[5,6]C[6]O[5]H)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2)(N[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	109.8920	0.269	2	109.8920	0.072	2	109.8920	0.072	2	109.8920	0.072	2	108.5920	2.923	64	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6]	H	3:4:2:1:	4:4:3:	4:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[4x6]C[6]H)(C[6]C[5,6]H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(O[5]C[5])(H){1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[4x6]C[6]H)(C[6]C[5,6]H){1|O<2>,3|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]O[5])	109.2370	0.000	1	109.2370	0.000	1	108.2841	0.556	21	108.2841	0.556	21	108.5920	2.923	64	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6]	H	3:4:2:1:	4:4:3:	4:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(O[5]C[5])(H){1|O<2>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){4|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]O[5])	108.2890	0.000	1	108.7587	0.205	3	108.2841	0.556	21	108.2841	0.556	21	108.5920	2.923	64	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6]	H	3:4:2:1:	4:4:3:	4:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(O[5]C[5])(H){3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){4|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]O[5])	108.9935	0.281	2	108.7587	0.205	3	108.2841	0.556	21	108.2841	0.556	21	108.5920	2.923	64	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6]	H	3:4:2:1:	4:4:3:	4:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<3>,1|O<1>,3|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C){1|C<3>,1|N<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	107.1730	0.000	1	108.0047	0.450	15	108.2841	0.556	21	108.2841	0.556	21	108.5920	2.923	64	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6]	H	3:4:2:1:	4:4:3:	4:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<3>,1|O<1>,3|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	107.9520	0.806	5	108.0047	0.450	15	108.2841	0.556	21	108.2841	0.556	21	108.5920	2.923	64	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6]	H	3:4:2:1:	4:4:3:	4:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	108.6375	0.875	2	108.0047	0.450	15	108.2841	0.556	21	108.2841	0.556	21	108.5920	2.923	64	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6]	H	3:4:2:1:	4:4:3:	4:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	107.6008	0.141	4	108.0047	0.450	15	108.2841	0.556	21	108.2841	0.556	21	108.5920	2.923	64	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6]	H	3:4:2:1:	4:4:3:	4:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	108.4290	0.028	2	108.0047	0.450	15	108.2841	0.556	21	108.2841	0.556	21	108.5920	2.923	64	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6]	H	3:4:2:1:	4:4:3:	4:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|Se<2>,1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	108.6010	0.000	1	108.0047	0.450	15	108.2841	0.556	21	108.2841	0.556	21	108.5920	2.923	64	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6]	H	3:4:2:1:	4:4:3:	4:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<2>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	109.1070	0.000	1	109.1915	0.014	2	108.2841	0.556	21	108.2841	0.556	21	108.5920	2.923	64	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6]	H	3:4:2:1:	4:4:3:	4:	C[6,6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]H)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(H){1|C<2>,1|O<2>,4|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]H){1|O<2>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	109.2760	0.000	1	109.1915	0.014	2	108.2841	0.556	21	108.2841	0.556	21	108.5920	2.923	64	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6]	H	3:4:3:1:	4:3:3:	4:	C[6,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]O[6]O)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|C<3>,1|H<1>,2|C<4>,2|O<1>,2|O<2>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]O[6]O){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	109.0260	0.974	3	109.0260	0.949	3	109.0260	0.949	3	109.0260	0.949	3	108.5920	2.923	64	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6]	H	3:4:3:1:	4:3:4:	4:	C[6,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]C[6]HH)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	109.7150	0.000	1	109.7150	0.000	1	108.7030	2.048	2	108.7030	2.048	2	108.5920	2.923	64	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6]	H	3:4:3:1:	4:3:4:	4:	C[6,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]O[5]O)(H){1|C<3>,2|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.6910	0.000	1	107.6910	0.000	1	108.7030	2.048	2	108.7030	2.048	2	108.5920	2.923	64	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6]	H	3:4:3:1:	4:4:3:	4:	C[6,6]-3:C[5,6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-4:C[6,6]-3:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[6,6]C[6]O[6]){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	109.4650	0.000	1	109.4650	0.000	1	109.4650	0.000	1	109.4650	0.000	1	108.5920	2.923	64	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6]	H	3:4:4:1:	3:4:3:	4:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6,6a]-3:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[6,6]C[6,6,6a]C[6])(C[5,6]C[5,6,6]CO)(C[5]C[5]CO)(H)	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6]C[5,6]C[5]H)(C[6]C[6]O)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6,6a]C[6])(C[5,6]C[5,6,6]CO)(C[5]C[5]CO)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6]C[5,6]C[5]H)(C[6]C[6]O){1|O<1>,2|O<2>,3|C<3>,4|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	110.7457	0.372	3	110.7457	0.138	3	110.7457	0.138	3	110.7457	0.138	3	108.5920	2.923	64	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6]	H	3:4:4:1:	4:3:3:	4:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]C[6]O){5|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.7250	0.000	1	107.7250	0.000	1	109.6530	1.228	5	109.6530	1.228	5	108.5920	2.923	64	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6]	H	3:4:4:1:	4:3:3:	4:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]HH)(H){1|O<1>,1|O<2>,1|S<4>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|N<3>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	110.0567	0.310	3	110.0567	0.096	3	109.6530	1.228	5	109.6530	1.228	5	108.5920	2.923	64	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6]	H	3:4:4:1:	4:3:3:	4:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]H)(C[5]C[5]HH)(H){1|H<1>,2|C<4>,2|O<1>,2|O<2>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	110.3700	0.000	1	110.3700	0.000	1	109.6530	1.228	5	109.6530	1.228	5	108.5920	2.923	64	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6]	H	3:4:4:1:	4:3:4:	4:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)(H){3|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|C<3>,4|C<4>,8|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.5290	0.356	2	106.5290	0.127	2	106.5290	0.127	2	106.5290	0.127	2	108.5920	2.923	64	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	104.8260	0.000	1	105.0740	0.123	2	106.1475	1.278	6	106.1072	0.922	8	108.5920	2.923	64	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){4|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){6|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.3220	0.000	1	105.0740	0.123	2	106.1475	1.278	6	106.1072	0.922	8	108.5920	2.923	64	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6]H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6]H){1|O<1>,4|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.4130	0.000	1	105.4130	0.000	1	106.1475	1.278	6	106.1072	0.922	8	108.5920	2.923	64	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6]O)(C[6]C[6]H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6]O)(C[6]C[6]H){1|O<1>,4|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.5680	0.000	1	106.5680	0.000	1	106.1475	1.278	6	106.1072	0.922	8	108.5920	2.923	64	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(H){1|O<1>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,8|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.3780	0.467	2	107.3780	0.218	2	106.1475	1.278	6	106.1072	0.922	8	108.5920	2.923	64	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H){1|O<1>,4|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	105.8680	0.000	1	105.8680	0.000	1	105.9865	0.028	2	106.1072	0.922	8	108.5920	2.923	64	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6]	H	3:4:4:1:	4:4:3:	4:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H){3|C<3>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.1050	0.000	1	106.1050	0.000	1	105.9865	0.028	2	106.1072	0.922	8	108.5920	2.923	64	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6]	H	3:4:4:1:	4:4:4:	4:	C[6,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(H){1|C<3>,3|C<4>,8|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH){1|C<3>,5|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.3110	0.000	1	106.3110	0.000	1	106.3110	0.000	1	106.3110	0.000	1	108.5920	2.923	64	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6]	H	4:3:2:1:	3:4:4:	4:	C[5,6]-4:C[6,6]-3:O[5]-2:H-1:	C[6,6]-3:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,3x6]HH)(C[6,6]C[6,6]C[6])(O[5]C[5,6])(H)	C[6,6](C[6,6]C[5a,6]C[6,6])(C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]CC)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[5,6]C[5,3x6]HH)(C[6,6]C[6,6]C[6])(O[5]C[5,6])(H){1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[6,6]C[5a,6]C[6,6])(C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]CC){3|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	110.7260	0.000	1	110.7260	0.000	1	110.8890	0.053	2	110.8890	0.053	2	108.5920	2.923	64	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6]	H	4:3:2:1:	3:4:4:	4:	C[5,6]-4:C[6,6]-3:O[5]-2:H-1:	C[6,6]-3:C[5,6]-4:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6,6]HH)(C[6,6]C[6,6]C[6])(O[5]C[5,6])(H)	C[6,6](C[6,6]C[5,6,6]C[6])(C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)	H(C[5,6]C[5,6]C[6,6]O[5])	C[5,6](C[5,6]C[5,5,6,6]HH)(C[6,6]C[6,6]C[6])(O[5]C[5,6])(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6])(C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]O[5])	111.0520	0.000	1	111.0520	0.000	1	110.8890	0.053	2	110.8890	0.053	2	108.5920	2.923	64	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6]	H	4:3:2:1:	4:3:3:	4:	C[5,6,6]-4:C[6,6]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]C[6])(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6]2)(C[6]C[6]O)	H(C[5,6]C[5,6,6]C[6,6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]C[6])(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6]2)(C[6]C[6]O){1|O<2>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[6,6]O[5])	108.7435	0.107	2	108.6970	0.012	3	108.6970	0.012	3	108.6970	0.012	3	108.5920	2.923	64	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6]	H	4:3:2:1:	4:3:3:	4:	C[5,6,6]-4:C[6,6]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]C[6])(O[5]C[5])(H)	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6]2)(C[6]C[6]O)	H(C[5,6]C[5,6,6]C[6,6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]C[6])(O[5]C[5])(H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6]2)(C[6]C[6]O){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[5,6]C[5,6,6]C[6,6]O[5])	108.6040	0.000	1	108.6970	0.012	3	108.6970	0.012	3	108.6970	0.012	3	108.5920	2.923	64	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6]	H	4:3:2:1:	4:4:3:	4:	C[5,5,6]-4:C[6,6]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[6,6]C[6])(O[5]C[5])(H)	C[6,6](C[5,6]C[5,5,6]O[5]H)(C[6,6]C[6]2H)(C[6]C[6]H)	H(C[5,6]C[5,5,6]C[6,6]O[5])	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[6,6]C[6])(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5,5,6]O[5]H)(C[6,6]C[6]2H)(C[6]C[6]H){2|C<3>,4|H<1>,5|C<4>}	H(C[5,6]C[5,5,6]C[6,6]O[5])	109.9530	0.000	1	109.8095	0.041	2	109.8095	0.041	2	109.8095	0.041	2	108.5920	2.923	64	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6]	H	4:3:2:1:	4:4:3:	4:	C[5,5,6]-4:C[6,6]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[6,6]C[6])(O[5]C[5])(H)	C[6,6](C[5,6]C[5,5,6]O[5]H)(C[6,6]C[6]2H)(C[6]C[6]H)	H(C[5,6]C[5,5,6]C[6,6]O[5])	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6]C[6,6]C[6])(O[5]C[5])(H){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,5,6]O[5]H)(C[6,6]C[6]2H)(C[6]C[6]H){2|C<3>,4|H<1>,5|C<4>}	H(C[5,6]C[5,5,6]C[6,6]O[5])	109.6660	0.000	1	109.8095	0.041	2	109.8095	0.041	2	109.8095	0.041	2	108.5920	2.923	64	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6,6]-3:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[5]C[5]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6])(C[6]O[6]O)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[5]C[5]O)(H){1|O<1>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6])(C[6]O[6]O){1|O<1>,2|H<1>,7|C<4>}	H(C[5,6]C[5,6]C[6,6]C[5])	106.7180	0.000	1	106.7180	0.000	1	106.7180	0.000	1	106.7180	0.000	1	108.5920	2.923	64	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6]	H	4:3:3:1:	4:3:4:	4:	C[5,6,6]-4:C[6,6]-3:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[5]C[5]O)(H)	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH)	H(C[5,6]C[5,6,6]C[6,6]C[5])	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[5]C[5]O)(H){5|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6,6]C[5]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<4>,7|H<1>}	H(C[5,6]C[5,6,6]C[6,6]C[5])	113.0470	0.000	1	113.0470	0.000	1	113.0470	0.000	1	113.0470	0.000	1	108.5920	2.923	64	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6]	H	4:3:4:1:	4:3:4:	4:	C[5,6]-4:C[6,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]N[5])(C[6,6]C[6,6]C[6])(C[5]C[5]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)	H(C[5,6]C[5,6]C[6,6]C[5])	C[5,6](C[5,6]C[5]C[6]N[5])(C[6,6]C[6,6]C[6])(C[5]C[5]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[6,6]C[5])	107.8590	0.000	1	107.8590	0.000	1	107.8590	0.000	1	107.8590	0.000	1	108.5920	2.923	64	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6,6]	H	4:4:3:1:	4:3:3:	4:	C[5,6,6]-4:C[5,6]-4:C[6,6]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]O[5,6]C)(C[5,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(H)	C[6,6](C[5,6]C[5,6,6]C[5,6]H)(C[6,6]C[5,6]O[6])(C[6]C[6]O)	H(C[5,6]C[5,6,6]C[5,6]C[6,6])	C[5,6](C[5,6,6]C[5,6,6]O[5,6]C)(C[5,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(H){1|C<3>,2|O<1>,3|C<4>,4|O<2>}	C[6,6](C[5,6]C[5,6,6]C[5,6]H)(C[6,6]C[5,6]O[6])(C[6]C[6]O){1|C<3>,1|O<2>,2|H<1>,7|C<4>}	H(C[5,6]C[5,6,6]C[5,6]C[6,6])	107.4160	0.000	1	107.4160	0.000	1	107.4160	0.000	1	107.4160	0.000	1	108.5920	2.923	64	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	2:3:2:1:	4:3:1:	4:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]H)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6a]C[6])(H)	H(C[5,6]O[5,6]C[6]O[5])	C[5,6](O[5,6]C[5,6])(C[6]C[6]H)(O[5]C[5])(H){2|C<3>,3|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6a]C[6])(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>}	H(C[5,6]O[5,6]C[6]O[5])	110.3850	0.000	1	110.7237	0.098	3	110.7237	0.098	3	110.7605	0.190	18	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	2:3:2:1:	4:3:1:	4:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]H)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6a]C[6])(H)	H(C[5,6]O[5,6]C[6]O[5])	C[5,6](O[5,6]C[5,6])(C[6]C[6]H)(O[5]C[5])(H){2|C<3>,3|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6a]C[6])(H){1|O<1>,2|C<3>,2|C<4>}	H(C[5,6]O[5,6]C[6]O[5])	110.8930	0.157	2	110.7237	0.098	3	110.7237	0.098	3	110.7605	0.190	18	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	2:3:2:1:	4:3:1:	4:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]O)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]C)(O)	H(C[5,6]O[5,6]C[6]O[5])	C[5,6](O[5,6]C[5,6])(C[6]C[6]O)(O[5]C[5])(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	H(C[5,6]O[5,6]C[6]O[5])	110.7322	0.490	13	110.7322	0.240	13	110.7679	0.217	15	110.7605	0.190	18	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	2:3:2:1:	4:3:1:	4:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]O)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6a]C[6])(O)	H(C[5,6]O[5,6]C[6]O[5])	C[5,6](O[5,6]C[5,6])(C[6]C[6]O)(O[5]C[5])(H){2|C<3>,3|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6a]C[6])(O){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	H(C[5,6]O[5,6]C[6]O[5])	110.9995	0.177	2	110.9995	0.032	2	110.7679	0.217	15	110.7605	0.190	18	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	2:3:2:1:	4:4:1:	4:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]O)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]O[5]H)(O)	H(C[5,6]O[5,6]C[6]O[5])	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]O)(O[5]C[5])(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]O[5]H)(O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[5,6]O[5,6]C[6]O[5])	110.7970	0.000	1	110.7970	0.000	1	110.7970	0.000	1	110.8050	0.000	2	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	2:3:2:1:	4:4:1:	4:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]O)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(O)	H(C[5,6]O[5,6]C[6]O[5])	C[5,6](O[5,6]C[5,6])(C[6]C[6]O)(O[5]C[5])(H){1|C<4>,5|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<4>}	H(C[5,6]O[5,6]C[6]O[5])	110.8130	0.000	1	110.8130	0.000	1	110.8130	0.000	1	110.8050	0.000	2	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	2:3:2:1:	4:4:2:	4:	O[5,6]-2:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-4:N-2:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]N)(O[5]C[5])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(NO)	H(C[5,6]O[5,6]C[6]O[5])	C[5,6](O[5,6]C[5,6])(C[6]C[6]N)(O[5]C[5])(H){1|C<4>,5|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(NO){2|C<4>,2|H<1>}	H(C[5,6]O[5,6]C[6]O[5])	110.9865	0.177	13	110.9865	0.031	13	110.9865	0.031	13	110.9865	0.031	13	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	2:3:3:1:	4:3:1:	4:	O[5,6]-2:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]C)(C[6]C[6]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]C[5]C)(C[6]C[6]H)(H){1|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5,6]O[5,6]C[5]C[6])	112.4750	0.000	1	112.4750	0.000	1	112.4750	0.000	1	112.3167	0.023	4	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	2:3:3:1:	4:3:1:	4:	O[5,6]-2:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]Br)(O)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]H)(C[6]C[6]O)(H){1|Br<1>,1|C<3>,2|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]Br)(O){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	112.1490	0.000	1	112.1490	0.000	1	112.2640	0.018	3	112.3167	0.023	4	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	2:3:3:1:	4:3:1:	4:	O[5,6]-2:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]H)(C[6]C[6]O)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]Br)(O)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]C[5]H)(C[6]C[6]O)(H){1|Br<1>,1|C<3>,2|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]Br)(O){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	112.4140	0.000	1	112.4140	0.000	1	112.2640	0.018	3	112.3167	0.023	4	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	2:3:3:1:	4:3:1:	4:	O[5,6]-2:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]H)(C[6]C[6]O)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(O)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]C[5]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	112.2290	0.000	1	112.2290	0.000	1	112.2640	0.018	3	112.3167	0.023	4	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	2:3:4:1:	4:3:3:	4:	O[5,6]-2:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-3:N-3:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]N)(C[5]C[5]HH)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[5,6]N[5,6]N[5])(NOO)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]N)(C[5]C[5]HH)(H){2|N<3>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[5,6]N[5,6]N[5])(NOO){2|H<1>,5|C<4>}	H(C[5,6]O[5,6]C[5]C[6])	111.7040	0.000	1	111.7040	0.000	1	111.7040	0.000	1	111.7040	0.000	1	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	2:3:4:1:	4:4:1:	4:	O[5,6]-2:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]O)(C[5]O[5]HH)(H)	C[6](C[5,6]C[5,6]C[6]O[5])(C[5,6]O[5,6]C[5]H)(O)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]O)(C[5]O[5]HH)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[6]O[5])(C[5,6]O[5,6]C[5]H)(O){3|H<1>,3|O<2>,4|C<4>}	H(C[5,6]O[5,6]C[5]C[6])	112.1980	0.000	1	112.1980	0.000	1	112.1980	0.000	1	112.1980	0.000	1	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	2:4:3:1:	4:3:1:	4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[4,5,5,6])(C[5]C[4,5,5]HH)(C[6]C[6]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[4,6]H)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[4,5,5,6])(C[5]C[4,5,5]HH)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[4,6]H)(H){3|C<4>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	110.8940	0.000	1	110.8940	0.000	1	111.2846	0.269	9	111.3186	0.172	17	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	2:4:3:1:	4:3:1:	4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	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)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	111.0980	0.000	1	111.2227	0.022	3	111.2846	0.269	9	111.3186	0.172	17	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	2:4:3:1:	4:3:1:	4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	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)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	111.1830	0.000	1	111.2227	0.022	3	111.2846	0.269	9	111.3186	0.172	17	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	2:4:3:1:	4:3:1:	4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	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)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	111.3870	0.000	1	111.2227	0.022	3	111.2846	0.269	9	111.3186	0.172	17	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	2:4:3:1:	4:3:1:	4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]CH)(C[6]C[6]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6,6])(C[5]C[5,6]CH)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[5,6]O[5,6]C[5]C[6])	111.2310	0.000	1	111.2310	0.000	1	111.2846	0.269	9	111.3186	0.172	17	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	2:4:3:1:	4:3:1:	4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]C)(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]C)(H){2|C<4>,4|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	110.7785	0.244	2	110.7785	0.060	2	111.2846	0.269	9	111.3186	0.172	17	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	2:4:3:1:	4:3:1:	4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6a]C[6])(H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6a]C[6])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	112.1055	0.151	2	112.1055	0.023	2	111.2846	0.269	9	111.3186	0.172	17	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	2:4:3:1:	4:3:1:	4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]HH)(C[6]C[6]O)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]H)(O)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6,6])(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]H)(O){2|H<1>,3|C<4>}	H(C[5,6]O[5,6]C[5]C[6])	110.9640	0.000	1	110.9640	0.000	1	111.3569	0.083	8	111.3186	0.172	17	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	2:4:3:1:	4:3:1:	4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6,6])(C[5]O[5]CC)(C[6]C[6]O)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]H)(O)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6,6])(C[5]O[5]CC)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]H)(O){1|O<2>,4|C<4>}	H(C[5,6]O[5,6]C[5]C[6])	111.2673	0.038	3	111.2673	0.001	3	111.3569	0.083	8	111.3186	0.172	17	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	2:4:3:1:	4:3:1:	4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(O)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(O){2|H<1>,3|C<4>}	H(C[5,6]O[5,6]C[5]C[6])	111.0850	0.000	1	111.0850	0.000	1	111.3569	0.083	8	111.3186	0.172	17	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	2:4:3:1:	4:3:1:	4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]O)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6a]C[6])(O)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6a]C[6])(O){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	111.6400	0.000	1	111.6680	0.017	3	111.3569	0.083	8	111.3186	0.172	17	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	2:4:3:1:	4:3:1:	4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]O)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6a]C[6])(O)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]O[5]HH)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6a]C[6])(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	111.6820	0.181	2	111.6680	0.017	3	111.3569	0.083	8	111.3186	0.172	17	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	2:4:3:1:	4:4:1:	4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]C[5]H)(O)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[5,6]O)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]C[5]H)(O){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]O[5,6]C[5]C[6])	110.7405	0.244	2	110.7405	0.060	2	110.7405	0.060	2	110.8650	0.076	3	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	2:4:3:1:	4:4:1:	4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(O)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,4|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(O){2|C<4>,4|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	111.1140	0.000	1	111.1140	0.000	1	111.1140	0.000	1	110.8650	0.076	3	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	2:4:3:1:	4:4:3:	4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]2)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]2)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]H){1|O<1>,1|O<2>,3|H<1>,6|C<4>}	H(C[5,6]O[5,6]C[5]C[6])	111.2100	0.000	1	110.8445	0.267	2	110.8445	0.267	2	110.8445	0.267	2	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	2:4:3:1:	4:4:3:	4:	O[5,6]-2:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]2)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]H)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](O[5,6]C[5,6])(C[5]C[5]CH)(C[6]C[6]2)(H){3|C<4>,5|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]H){2|O<2>,4|H<1>,6|C<4>}	H(C[5,6]O[5,6]C[5]C[6])	110.4790	0.000	1	110.8445	0.267	2	110.8445	0.267	2	110.8445	0.267	2	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:2:2:1:	3:4:1:	4:	C[6]-3:O[5,6]-2:O[5]-2:H-1:	C[5a,6]-3:C[5,6]-4:O-1:	C[5,6]-4:	C[5,6](C[6]C[5a,6]O)(O[5,6]C[5,6])(O[5]C[5])(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]O[5,6]O[5]H)(O)	H(C[5,6]O[5,6]C[6]O[5])	C[5,6](C[6]C[5a,6]O)(O[5,6]C[5,6])(O[5]C[5])(H){2|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]O[5,6]O[5]H)(O){1|N<3>,2|C<3>,2|C<4>}	H(C[5,6]O[5,6]C[6]O[5])	110.7430	0.069	2	110.7430	0.005	2	110.7430	0.005	2	110.7430	0.005	2	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:2:4:1:	3:4:1:	4:	C[6]-3:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]O)(O[5,6]C[5,6])(C[5]O[5]CC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(O)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]O)(O[5,6]C[5,6])(C[5]O[5]CC)(H){1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5,6]O[5,6]C[5]C[6])	111.1590	0.000	1	111.1590	0.000	1	111.1700	0.000	2	111.1700	0.000	2	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:2:4:1:	3:4:1:	4:	C[6]-3:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:	C[5,6](C[6]C[6,6a]O)(O[5,6]N[5,6])(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(O)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]O)(O[5,6]N[5,6])(C[5]C[5]HH)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	111.1810	0.000	1	111.1810	0.000	1	111.1700	0.000	2	111.1700	0.000	2	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:2:4:1:	3:4:3:	4:	C[6]-3:O[5,6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](C[6]C[6,6a]C)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(CHH)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[6,6a]C)(O[5,6]C[5,6])(C[5]O[5]HH)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(CHH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	110.8640	0.000	1	110.8640	0.000	1	110.8640	0.000	1	110.8640	0.000	1	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:2:4:1:	4:4:1:	4:	C[6]-3:O[5,6]-2:C[5]-4:H-1:	C[5,6,6]-4:C[5,6]-4:O-1:	C[5,6]-4:	C[5,6](C[6]C[5,6,6]O)(O[5,6]C[5,6])(C[5]O[5]HH)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]O[5,6]C[5]H)(O)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[6]C[5,6,6]O)(O[5,6]C[5,6])(C[5]O[5]HH)(H){2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]O[5,6]C[5]H)(O){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]O[5,6]C[5]C[6])	111.4860	0.000	1	111.4860	0.000	1	111.4860	0.000	1	111.4860	0.000	1	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:3:2:1:	4:3:1:	4:	N[5,6]-3:C[6]-3:S[5]-2:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]O)(S[5]C[5])(H)	C[6](C[5,6]N[5,6]S[5]H)(N[6]C[6]C)(O)	H(C[5,6]N[5,6]C[6]S[5])	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]O)(S[5]C[5])(H){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]S[5]H)(N[6]C[6]C)(O){1|C<3>,1|H<1>,3|C<4>}	H(C[5,6]N[5,6]C[6]S[5])	108.2605	0.988	2	108.2605	0.976	2	108.2605	0.976	2	108.2605	0.976	2	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:3:3:1:	4:3:1:	4:	C[5,6a]-3:N[5,6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]N[5])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6,6a]H)(H)	H(C[5,6]C[5,6a]N[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]N[5])(C[6]C[6]H)(H){2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6,6a]H)(H){1|N<3>,4|C<3>}	H(C[5,6]C[5,6a]N[5,6]C[6])	107.8990	0.000	1	107.8990	0.000	1	107.8990	0.000	1	107.8990	0.000	1	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:3:3:1:	4:3:4:	4:	C[5,6]-3:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:Si-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]O)(C[5]C[5,6]H)(C[6]C[6]Si)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(SiC3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]O)(C[5]C[5,6]H)(C[6]C[6]Si)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(SiC3){1|C<3>,1|C<4>,1|H<1>,2|O<1>}	H(C[5,6]C[5,6]C[5]C[6])	113.2410	0.000	1	113.2410	0.000	1	113.2410	0.000	1	113.2410	0.000	1	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:3:3:1:	4:4:1:	4:	C[5,6]-3:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]O)(C[5]C[5]C)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]O)(C[5]C[5]C)(C[6]C[6]O)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(O){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	113.7510	0.000	1	113.7510	0.000	1	113.7510	0.000	1	113.7510	0.000	1	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:3:4:1:	3:4:1:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:O-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]O)(C[5]C[5]HH)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]N[5,6]C[5]H)(O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]O)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]N[5,6]C[5]H)(O){2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	108.9925	0.097	2	108.9925	0.009	2	108.5213	0.671	3	109.1409	1.254	9	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:3:4:1:	3:4:1:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:O-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]O)(C[5]C[5]HH)(H)	C[6](C[5a,6]C[5a,6]S[5a])(C[5,6]N[5,6]C[5]H)(O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[5a,6]O)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,1|S<2>,4|H<1>}	C[6](C[5a,6]C[5a,6]S[5a])(C[5,6]N[5,6]C[5]H)(O){2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	107.5790	0.000	1	107.5790	0.000	1	108.5213	0.671	3	109.1409	1.254	9	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:3:4:1:	3:4:1:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6a])(C[6]C[6,6a]O)(C[5]C[5]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C[6a])(C[6]C[6,6a]O)(C[5]C[5]CH)(H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(O){2|C<4>,2|H<1>,4|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	111.5600	0.000	1	111.5600	0.000	1	109.9520	1.306	4	109.1409	1.254	9	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:3:4:1:	3:4:1:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(O){2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.1385	0.084	2	109.4160	0.235	3	109.9520	1.306	4	109.1409	1.254	9	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:3:4:1:	3:4:1:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]C[5]HH)(H){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(O){2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.9710	0.000	1	109.4160	0.235	3	109.9520	1.306	4	109.1409	1.254	9	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:3:4:1:	3:4:1:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	N[6,6]-3:C[5,6]-4:O-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]O[5]CH)(H)	C[6](N[6,6]C[5,6,6]C[6,6a])(C[5,6]N[5,6]C[5]H)(O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]O[5]CH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](N[6,6]C[5,6,6]C[6,6a])(C[5,6]N[5,6]C[5]H)(O){1|H<1>,2|O<2>,3|C<3>,3|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	108.3190	0.000	1	108.3190	0.000	1	108.4480	0.033	2	109.1409	1.254	9	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:3:4:1:	3:4:1:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	N[6,6]-3:C[5,6]-4:O-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]O[5]HH)(H)	C[6](N[6,6]C[5,6,6]C[6,6a])(C[5,6]N[5,6]C[5]H)(O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](N[6,6]C[5,6,6]C[6,6a])(C[5,6]N[5,6]C[5]H)(O){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	108.5770	0.000	1	108.5770	0.000	1	108.4480	0.033	2	109.1409	1.254	9	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:3:4:1:	3:4:3:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]S)(C[6]C[6,6a]C)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(CHH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]S)(C[6]C[6,6a]C)(C[5]C[5]HH)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(CHH){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.0950	0.000	1	111.0950	0.000	1	111.0950	0.000	1	111.0950	0.000	1	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:3:4:1:	4:3:1:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:N[3,6]-3:O-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]N[3,6]O)(C[5]C[5]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[3,6]C[3,6]C[3])(O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]N[3,6]O)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(N[3,6]C[3,6]C[3])(O){4|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.1820	0.171	2	110.1820	0.029	2	110.1820	0.029	2	108.8165	1.710	19	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:3:4:1:	4:3:1:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:N[5,6]-3:O-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[6]N[5,6]O)(C[5]S[5]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[6]N[5,6]O)(C[5]S[5]HH)(H){1|H<1>,2|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O){2|S<2>,4|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.5310	0.020	2	109.5310	0.000	2	108.3389	1.793	12	108.8165	1.710	19	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:3:4:1:	4:3:1:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:N[5,6]-3:O-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O){3|C<3>,3|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	106.9670	1.584	2	108.1005	1.813	10	108.3389	1.793	12	108.8165	1.710	19	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:3:4:1:	4:3:1:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:N[5,6]-3:O-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O){1|C<3>,4|C<4>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.1810	0.086	2	108.1005	1.813	10	108.3389	1.793	12	108.8165	1.710	19	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:3:4:1:	4:3:1:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:N[5,6]-3:O-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O){1|C<3>,4|C<4>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.5860	0.471	2	108.1005	1.813	10	108.3389	1.793	12	108.8165	1.710	19	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:3:4:1:	4:3:1:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:N[5,6]-3:O-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O){1|C<3>,4|C<4>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	106.5500	0.000	1	108.1005	1.813	10	108.3389	1.793	12	108.8165	1.710	19	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:3:4:1:	4:3:1:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:N[5,6]-3:O-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O){2|C<3>,4|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.3290	1.679	3	108.1005	1.813	10	108.3389	1.793	12	108.8165	1.710	19	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:3:4:1:	4:3:1:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:N[6,6]-3:O-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	108.3900	0.000	1	109.0447	0.849	3	109.4166	0.688	5	108.8165	1.710	19	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:3:4:1:	4:3:1:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:N[6,6]-3:O-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	110.0980	0.000	1	109.0447	0.849	3	109.4166	0.688	5	108.8165	1.710	19	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:3:4:1:	4:3:1:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:N[6,6]-3:O-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O){3|C<3>,3|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.6460	0.000	1	109.0447	0.849	3	109.4166	0.688	5	108.8165	1.710	19	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:3:4:1:	4:3:1:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:N[6,6]-3:O-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]N[6,6]C[6])(O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]N[6,6]C[6])(O){2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.8840	0.000	1	109.9745	0.016	2	109.4166	0.688	5	108.8165	1.710	19	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:3:4:1:	4:3:1:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:N[6,6]-3:O-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]N[6,6]C[6])(O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(N[6,6]N[6,6]C[6])(O){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	110.0650	0.000	1	109.9745	0.016	2	109.4166	0.688	5	108.8165	1.710	19	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:3:4:1:	4:3:3:	4:	C[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O)(C[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]O)(C[6]C[6a]C[6])(C[5]C[5]HH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.7930	0.000	1	112.7525	0.003	2	112.7525	0.003	2	110.3901	3.550	7	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:3:4:1:	4:3:3:	4:	C[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O)(C[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]O)(C[6]C[6a]C[6])(C[5]C[5]HH)(H){3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H){2|C<3>,2|C<4>,2|O<1>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.7120	0.000	1	112.7525	0.003	2	112.7525	0.003	2	110.3901	3.550	7	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:3:4:1:	4:3:3:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-3:N-3:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6a])(C[6]C[5,6]N)(C[5]C[5]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[5,6]N[5,6]N[5])(NOO)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C[6a])(C[6]C[5,6]N)(C[5]C[5]HH)(H){2|C<3>,2|N<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[5,6]N[5,6]N[5])(NOO){1|C<3>,2|H<1>,5|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	111.5260	0.000	1	111.5260	0.000	1	111.5260	0.000	1	110.3901	3.550	7	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:3:4:1:	4:3:3:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-3:C[6a]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]N[5]O[6])(C[6a]C[6a]2)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]N[5]O[6])(C[6a]C[6a]2){3|C<4>,4|C<3>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.5060	0.000	1	108.8400	0.223	2	108.8400	0.223	2	110.3901	3.550	7	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:3:4:1:	4:3:3:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-3:C[6a]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]N[5]O[6])(C[6a]C[6a]2)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]N[5]O[6])(C[6a]C[6a]2){3|C<4>,4|C<3>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.1740	0.000	1	108.8400	0.223	2	108.8400	0.223	2	110.3901	3.550	7	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:3:4:1:	4:3:3:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HO)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(C[6]O[6]N)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HO)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(C[6]O[6]N){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.0100	0.093	2	109.0100	0.009	2	109.0100	0.009	2	110.3901	3.550	7	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:3:4:1:	4:3:4:	4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6]-4:	C[5,6](N[5,6]C[5,5]C[6])(C[6]C[5]C[6])(C[5]C[5]HS)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[5]C[5,6a]C[5])(C[6]C[6]HH)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,5]C[6])(C[6]C[5]C[6])(C[5]C[5]HS)(H){1|C<4>,4|C<3>,6|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[5]C[5,6a]C[5])(C[6]C[6]HH){1|N<3>,1|O<1>,1|S<4>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	107.3960	0.000	1	107.3960	0.000	1	107.3960	0.000	1	107.3960	0.000	1	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:2:1:	4:4:1:	4:	C[6]-3:C[5,6]-4:O[5]-2:H-1:	C[5,5,6,6]-4:C[5,6]-4:O-1:	C[5,6]-4:	C[5,6](C[6]C[5,5,6,6]O)(C[5,6]C[5,6]HH)(O[5]C[5])(H)	C[6](C[5,5,6,6]C[5,5,6,6]C[5,6]2)(C[5,6]C[5,6]O[5]H)(O)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[6]C[5,5,6,6]O)(C[5,6]C[5,6]HH)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,5,6,6]C[5,5,6,6]C[5,6]2)(C[5,6]C[5,6]O[5]H)(O){2|O<2>,4|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	111.3720	0.000	1	111.3720	0.000	1	111.3720	0.000	1	111.3720	0.000	1	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	3:4:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6,6]HO)(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5,6a]C[5,6]H)(O)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6,6]HO)(C[6]C[6,6a]O)(H){1|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5,6a]C[5,6]H)(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	112.1485	0.069	2	112.1485	0.005	2	112.1485	0.005	2	112.1485	0.005	2	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	3:4:3:	4:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6,6a]C)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6a]C[5,6]H)(COO)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6,6a]C)(H){3|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6a]C[5,6]H)(COO){1|C<4>,1|H<1>,6|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	111.8670	0.000	1	111.8670	0.000	1	111.8670	0.000	1	111.8670	0.000	1	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:2:1:	4:	N[5,6]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]O[6]O)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(O[6]C[6])(O)	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]O[6]O)(H){2|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(O[6]C[6])(O){3|H<1>,4|C<4>}	H(C[5,6]C[5,6]N[5,6]C[6])	108.2540	0.000	1	108.2540	0.000	1	108.2540	0.000	1	108.8771	0.945	7	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:2:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,5,6,6]H)(C[5]C[5]CH)(C[6]O[6]O)(H)	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[5,6,6])(O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,5,6,6]H)(C[5]C[5]CH)(C[6]O[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[5,6,6])(O){3|H<1>,4|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	110.2130	0.000	1	110.1845	0.002	2	108.9810	1.044	6	108.8771	0.945	7	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:2:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,5,6,6]H)(C[5]C[5]CH)(C[6]O[6]O)(H)	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[5,6,6])(O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,5,6,6]H)(C[5]C[5]CH)(C[6]O[6]O)(H){1|H<1>,1|N<3>,2|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[5,6,6])(O){3|H<1>,4|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	110.1560	0.000	1	110.1845	0.002	2	108.9810	1.044	6	108.8771	0.945	7	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:2:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]2)(C[5]C[5,6]CH)(C[6]O[6]O)(H)	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[5,6])(O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]2)(C[5]C[5,6]CH)(C[6]O[6]O)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[5,6])(O){2|H<1>,5|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	107.6200	0.000	1	107.6200	0.000	1	108.9810	1.044	6	108.8771	0.945	7	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:2:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]O)(H)	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]O)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(O){3|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.8100	0.000	1	108.7600	0.005	2	108.9810	1.044	6	108.8771	0.945	7	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:2:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]O)(H)	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]O)(H){1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(O){1|C<3>,2|H<1>,4|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	108.7100	0.000	1	108.7600	0.005	2	108.9810	1.044	6	108.8771	0.945	7	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:2:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:	C[5,6](N[5,6]C[6]O[5])(C[5]C[5,5]CH)(C[6]O[6]O)(H)	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6]O[5])(C[5]C[5,5]CH)(C[6]O[6]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(O){1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.3770	0.000	1	108.3770	0.000	1	108.9810	1.044	6	108.8771	0.945	7	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:2:2:	4:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:N[6]-2:O-2:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[4,6]O[5]H)(C[6]N[6]O)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[4,6])(OC)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[4,6]O[5]H)(C[6]N[6]O)(H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[4,6])(OC){1|C<2>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	107.6480	0.000	1	108.3975	1.124	2	108.3975	1.124	2	108.4507	0.570	3	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:2:2:	4:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:N[6]-2:O-2:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[4,6]O[5]H)(C[6]N[6]O)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[4,6])(OC)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[4,6]O[5]H)(C[6]N[6]O)(H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[4,6])(OC){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	109.1470	0.000	1	108.3975	1.124	2	108.3975	1.124	2	108.4507	0.570	3	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:2:2:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[6]-2:O-2:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]O)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6])(OC)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6])(OC){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.5570	0.000	1	108.5570	0.000	1	108.5570	0.000	1	108.4507	0.570	3	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C)(C[5]O[5]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C)(C[5]O[5]HH)(C[6]C[6]H)(H){1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	115.6260	0.000	1	115.6260	0.000	1	110.4821	9.749	11	108.7143	5.364	85	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	113.1965	0.173	2	113.1965	0.030	2	110.4821	9.749	11	108.7143	5.364	85	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	112.1240	0.000	1	112.9005	1.206	2	110.4821	9.749	11	108.7143	5.364	85	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H){1|H<1>,2|O<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	113.6770	0.000	1	112.9005	1.206	2	110.4821	9.749	11	108.7143	5.364	85	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]H)(H){3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.3410	0.000	1	106.3410	0.000	1	110.4821	9.749	11	108.7143	5.364	85	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|S<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.5330	0.000	1	108.5330	0.000	1	110.4821	9.749	11	108.7143	5.364	85	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]H)(H){1|S<4>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.6560	0.000	1	107.6560	0.000	1	110.4821	9.749	11	108.7143	5.364	85	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4920	0.000	1	108.4920	0.000	1	110.4821	9.749	11	108.7143	5.364	85	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]O[5]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]O[5]H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.2305	0.568	2	108.2305	0.322	2	110.4821	9.749	11	108.7143	5.364	85	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(O){1|H<1>,1|O<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	111.9420	0.000	1	111.9420	0.000	1	111.8430	0.020	2	108.7143	5.364	85	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.7440	0.000	1	111.7440	0.000	1	111.8430	0.020	2	108.7143	5.364	85	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]H)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]H)(O){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	101.3250	0.000	1	101.3250	0.000	1	101.3250	0.000	1	108.7143	5.364	85	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[5,6]-3:P[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]C[5])(P[5]O[5]MoC)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]P[5]H)(C[6]C[5,6,6]H)(H)	H(C[5,6]C[5,6]C[6]P[5])	C[5,6](C[5,6]C[5,6,6]C[5])(P[5]O[5]MoC)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]P[5]H)(C[6]C[5,6,6]H)(H){1|Mo<6>,1|C<3>,1|H<1>,1|O<2>,1|P<4>,2|C<4>}	H(C[5,6]C[5,6]C[6]P[5])	106.7630	0.000	1	106.7630	0.000	1	106.7630	0.000	1	108.7143	5.364	85	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]Br)(H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]C[6]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]Br)(H){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	113.4210	0.000	1	113.4210	0.000	1	109.3517	4.042	7	108.7143	5.364	85	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]O[6])(H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]O[6])(H){1|C<4>,1|H<1>,5|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	108.2275	0.695	4	108.2275	0.483	4	109.3517	4.042	7	108.7143	5.364	85	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]O[6]C)(H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]O[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	108.8250	0.000	1	108.8250	0.000	1	109.3517	4.042	7	108.7143	5.364	85	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]H)(H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]H)(C[6]C[6]H)(H){2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	110.3060	0.000	1	110.3060	0.000	1	109.3517	4.042	7	108.7143	5.364	85	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]C)(O)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]C)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	109.1560	0.000	1	109.1560	0.000	1	109.1560	0.000	1	108.7143	5.364	85	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]N[6]O)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[6a]C[6])(O)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(C[6]N[6]O)(H){2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[6a]C[6])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	112.6900	0.229	2	112.6900	0.052	2	112.6900	0.052	2	108.7143	5.364	85	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	N[5,5]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](N[5,5]C[5,5]S[5])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5,5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]N[5,5]C[6])	C[5,6](N[5,5]C[5,5]S[5])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]N[5,5]H)(C[6]C[6]H)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]N[5,5]C[6])	108.8080	0.000	1	108.8080	0.000	1	108.8080	0.000	1	108.7143	5.364	85	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	N[5,6,6]-3:C[5,5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](N[5,6,6]C[6,6,6a]C[5,5,6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6,6]C[5,5]H)(C[6]C[6,6a]H)(H)	H(C[5,6]N[5,6,6]C[5,5]C[6])	C[5,6](N[5,6,6]C[6,6,6a]C[5,5,6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]N[5,6,6]C[5,5]H)(C[6]C[6,6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	H(C[5,6]N[5,6,6]C[5,5]C[6])	107.1320	0.000	1	107.1320	0.000	1	107.1320	0.000	1	108.7143	5.364	85	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]N)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]C)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]N)(C[5]C[5]HH)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]C)(H){1|N<3>,2|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.7090	0.000	3	110.7090	0.000	3	109.4602	1.856	12	108.7143	5.364	85	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]H)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.4120	0.386	2	110.4120	0.149	2	109.4602	1.856	12	108.7143	5.364	85	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]N[6])(C[5]N[5]HO)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]H)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]N[6])(C[5]N[5]HO)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<3>}	H(C[5,6]N[5,6]C[5]C[6])	109.6970	0.000	1	109.6970	0.000	1	109.4602	1.856	12	108.7143	5.364	85	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]N[6])(C[5]O[5]HH)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]H)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]N[6])(C[5]O[5]HH)(C[6]C[6]H)(H){1|C<4>,1|N<2>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	110.6530	0.000	1	110.6530	0.000	1	109.4602	1.856	12	108.7143	5.364	85	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]CC)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]H)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]CC)(C[6]C[6]H)(H){1|N<3>,2|C<3>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]H)(H){2|C<4>,4|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	109.0730	0.000	1	109.0730	0.000	1	109.4602	1.856	12	108.7143	5.364	85	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[6,6a]N[5])(C[5]C[5]CH)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]H)(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6,6a]N[5])(C[5]C[5]CH)(C[6]C[6]H)(H){3|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	107.7817	0.688	3	107.7817	0.474	3	109.4602	1.856	12	108.7143	5.364	85	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6])(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6])(H){1|C<4>,1|H<1>,1|N<3>,2|C<2>,3|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	107.8030	0.000	1	107.8030	0.000	1	109.4602	1.856	12	108.7143	5.364	85	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[5,6]-3:O-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[3,5,6]HH)(C[6]N[5,6]O)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]2)(O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[3,5,6]HH)(C[6]N[5,6]O)(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]2)(O){1|C<3>,4|H<1>,5|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	108.5930	0.328	2	108.5930	0.108	2	107.6054	3.366	15	108.7143	5.364	85	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[5,6]-3:O-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]2)(O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]2)(O){3|C<3>,3|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.0438	1.395	6	108.3274	1.686	8	107.6054	3.366	15	108.7143	5.364	85	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[5,6]-3:O-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]2)(O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]2)(O){1|C<3>,4|H<1>,5|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	109.1780	0.372	2	108.3274	1.686	8	107.6054	3.366	15	108.7143	5.364	85	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[5,6]-3:O-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5,5]HH)(C[6]N[5,6]O)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5,5]HH)(C[6]N[5,6]O)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O){1|C<3>,4|C<4>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	105.2990	1.371	4	106.0552	4.268	5	107.6054	3.366	15	108.7143	5.364	85	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[5,6]-3:O-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5,5]HH)(C[6]N[5,6]O)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5,5]HH)(C[6]N[5,6]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O){1|C<3>,4|C<4>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.0800	0.000	1	106.0552	4.268	5	107.6054	3.366	15	108.7143	5.364	85	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(C[6]N[6]O)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(O){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.8000	0.000	1	108.8000	0.000	1	108.0677	2.454	31	108.7143	5.364	85	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]N[6]O)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O){1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	110.3250	1.071	2	110.3250	1.146	2	108.0677	2.454	31	108.7143	5.364	85	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[6]O)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(O){2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.8260	0.000	1	109.2373	0.127	3	108.0677	2.454	31	108.7143	5.364	85	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[6]O)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[6]O)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(O){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.4430	0.006	2	109.2373	0.127	3	108.0677	2.454	31	108.7143	5.364	85	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]N[6]O)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]N[6]O)(H){1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(O){3|C<3>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	106.1395	0.603	2	106.1395	0.364	2	108.0677	2.454	31	108.7143	5.364	85	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(O){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.1197	0.931	3	108.1197	0.866	3	108.0677	2.454	31	108.7143	5.364	85	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	109.2170	0.000	1	107.7237	5.702	8	108.0677	2.454	31	108.7143	5.364	85	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]N[5,6]C[5]C[6])	102.2950	0.000	1	107.7237	5.702	8	108.0677	2.454	31	108.7143	5.364	85	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	106.3180	0.000	1	107.7237	5.702	8	108.0677	2.454	31	108.7143	5.364	85	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]H)(O){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.7920	0.365	5	107.7237	5.702	8	108.0677	2.454	31	108.7143	5.364	85	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]O)(O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]O)(O){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.5690	0.000	1	108.5690	0.000	1	108.0677	2.454	31	108.7143	5.364	85	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]N[6]O)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	107.4700	0.000	1	107.8510	0.290	2	108.0677	2.454	31	108.7143	5.364	85	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]N[6]O)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	108.2320	0.000	1	107.8510	0.290	2	108.0677	2.454	31	108.7143	5.364	85	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]O)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	107.2430	0.112	2	107.2563	0.007	3	108.0677	2.454	31	108.7143	5.364	85	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]O)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	107.2830	0.000	1	107.2563	0.007	3	108.0677	2.454	31	108.7143	5.364	85	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]N[6]O)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O){1|C<4>,1|O<2>,1|S<2>,2|H<1>,4|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	107.4600	0.000	1	107.1820	0.155	2	108.0677	2.454	31	108.7143	5.364	85	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]N[6]O)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[5,6]C[6a])(O){1|C<4>,1|O<2>,1|S<2>,2|H<1>,4|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	106.9040	0.000	1	107.1820	0.155	2	108.0677	2.454	31	108.7143	5.364	85	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:1:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]N[6]O)(H)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]N[6]O)(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(O){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	108.5260	0.772	4	108.5260	0.597	4	108.0677	2.454	31	108.7143	5.364	85	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:2:	4:	C[5,5a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-2:	C[5,6]-4:	C[5,6](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5]C[6]H)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6a]O[6])(CN)	H(C[5,6]C[5,5a]C[5,6]C[6])	C[5,6](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5]C[6]H)(C[6]C[6]C)(H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6a]O[6])(CN){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[5,6]C[5,5a]C[5,6]C[6])	111.9260	0.000	1	111.9260	0.000	1	111.9260	0.000	1	111.9260	0.000	1	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:3:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]C)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]H)(CHO)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]C)(H){1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]H)(CHO){1|C<4>,2|H<1>,3|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	108.6315	0.254	2	108.6315	0.064	2	108.6420	0.033	3	108.6420	0.033	3	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:3:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]C)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]N[6])(CC[6a]O)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[6]N[5])(C[5]C[5]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,1|S<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]N[6])(CC[6a]O){1|N<2>,2|H<1>,5|C<3>}	H(C[5,6]N[5,6]C[5]C[6])	108.6630	0.000	1	108.6630	0.000	1	108.6420	0.033	3	108.6420	0.033	3	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:4:	4:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]O)(C[5]C[5,5]CC)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]O)(C[5]C[5,5]CC)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	112.0290	0.000	1	112.0290	0.000	1	109.7717	40.207	3	109.0952	20.962	5	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:4:	4:	C[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]O)(C[5]C[5,5]CC)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]O)(C[5]C[5,5]CC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3){2|O<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.6430	8.531	2	108.6430	72.770	2	109.7717	40.207	3	109.0952	20.962	5	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:4:	4:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:S-4:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]S)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]O[6])(SC[6a]OO)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]S)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]O[6])(SC[6a]OO){1|H<1>,2|C<4>,4|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	108.1030	0.000	1	108.0805	0.001	2	108.0805	0.001	2	109.0952	20.962	5	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:3:4:	4:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:S-4:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]S)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]O[6])(SC[6a]OO)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]S)(H){1|O<2>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]O[6])(SC[6a]OO){1|H<1>,2|C<4>,4|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	108.0580	0.000	1	108.0805	0.001	2	108.0805	0.001	2	109.0952	20.962	5	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:4:1:	4:	C[5,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(O)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5]H)(C[6]C[6]O)(H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6a]C[5,6]C[6])	107.9860	0.000	1	107.9860	0.000	1	107.9860	0.000	1	107.9860	0.000	1	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	3:4:3:1:	4:4:3:	4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]CH)(C[6]C[6]C)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CHO)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]CH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CHO){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	106.2170	0.000	1	106.2170	0.000	1	106.2170	0.000	1	106.2170	0.000	1	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:2:3:1:	4:2:1:	4:	C[5,6,6]-4:O[5]-2:C[6]-3:H-1:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]O)(O[5]C[5,6])(C[6]O[6]O)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(O[6]C[6,6])(O)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6,6]C[6,6]O)(O[5]C[5,6])(C[6]O[6]O)(H){1|H<1>,1|O<2>,5|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(O[6]C[6,6])(O){1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	108.6400	0.000	1	108.6400	0.000	1	108.6400	0.000	1	108.6400	0.000	1	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:2:3:1:	4:3:1:	4:	C[5,3x6]-4:O[5]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]O)(O)	H(C[5,6]C[5,3x6]C[6]O[5])	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]O)(O){1|H<1>,2|C<3>,2|C<4>}	H(C[5,6]C[5,3x6]C[6]O[5])	110.2000	0.000	1	110.2000	0.000	1	110.2000	0.000	1	110.5281	0.839	17	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:2:3:1:	4:3:1:	4:	C[5,5,6,6]-4:O[5]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(O[5]C[5,5,6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,5,6,6]O[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,5,6,6]C[6]O[5])	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(O[5]C[5,5,6])(C[6]C[6]H)(H){2|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6,6]O[5]H)(C[6]C[6]H)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6,6]C[6]O[5])	108.9070	0.000	1	108.9070	0.000	1	108.9070	0.000	1	110.5281	0.839	17	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:2:3:1:	4:3:1:	4:	C[5,5,6]-4:O[5,6]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-3:Br-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]2H)(O[5,6]C[5,6])(C[6]C[6]Br)(H)	C[6](C[5,6]C[5,5,6]O[5,6]H)(C[6]C[6]Br)(Br)	H(C[5,6]C[5,5,6]O[5,6]C[6])	C[5,6](C[5,5,6]C[5,5,6]2H)(O[5,6]C[5,6])(C[6]C[6]Br)(H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,5,6]O[5,6]H)(C[6]C[6]Br)(Br){1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[5,5,6]O[5,6]C[6])	112.0880	0.000	1	112.0880	0.000	1	112.0880	0.000	1	110.5281	0.839	17	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:2:3:1:	4:3:1:	4:	C[5,5,6]-4:O[5,6]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]2H)(O[5,6]C[5,6])(C[6]C[6]O)(H)	C[6](C[5,6]C[5,5,6]O[5,6]H)(C[6]C[6]Br)(O)	H(C[5,6]C[5,5,6]O[5,6]C[6])	C[5,6](C[5,5,6]C[5,5,6]2H)(O[5,6]C[5,6])(C[6]C[6]O)(H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,5,6]O[5,6]H)(C[6]C[6]Br)(O){1|Br<1>,1|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]O[5,6]C[6])	111.6030	0.000	1	111.6030	0.000	1	111.6030	0.000	1	110.5281	0.839	17	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:2:3:1:	4:3:1:	4:	C[5,5,6]-4:O[5]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5]O[5,6]H)(O[5]C[5,5])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,5,6]H)(H)	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[3x5]O[5,6]H)(O[5]C[5,5])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<4>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,5,6]H)(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,5,6]C[6]O[5])	110.0830	0.000	1	110.0830	0.000	1	110.0830	0.000	1	110.5281	0.839	17	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:2:3:1:	4:3:1:	4:	C[5,5]-4:O[5,6]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]O)(O[5,6]C[5,6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,5]O[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]O)(O[5,6]C[5,6])(C[6]C[6]H)(H){1|N<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(C[5,6]C[5,5]O[5,6]C[6])	111.4570	0.000	1	111.4570	0.000	1	111.4570	0.000	1	110.5281	0.839	17	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:2:3:1:	4:3:1:	4:	C[5,5]-4:O[5,6]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5,6]C[5]H)(O[5,6]C[5,6,6])(C[6]C[6]O)(H)	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]C)(O)	H(C[5,6]C[5,5]O[5,6]C[6])	C[5,6](C[5,5]C[5,5,6]C[5]H)(O[5,6]C[5,6,6])(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]C)(O){2|H<1>,3|C<4>}	H(C[5,6]C[5,5]O[5,6]C[6])	110.2145	0.033	2	110.2145	0.001	2	110.4630	0.186	3	110.5281	0.839	17	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:2:3:1:	4:3:1:	4:	C[5,5]-4:O[5,6]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(H)	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]H)(O)	H(C[5,6]C[5,5]O[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]H)(O){1|H<1>,2|C<3>,2|C<4>}	H(C[5,6]C[5,5]O[5,6]C[6])	110.9600	0.000	1	110.9600	0.000	1	110.4630	0.186	3	110.5281	0.839	17	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:2:3:1:	4:3:1:	4:	C[5,6,6]-4:O[5,6]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-3:Br-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[3x6]H)(O[5,6]C[5,6])(C[6]C[6]Br)(H)	C[6](C[5,6]C[5,6,6]O[5,6]H)(C[6]C[6]Br)(Br)	H(C[5,6]C[5,6,6]O[5,6]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[3x6]H)(O[5,6]C[5,6])(C[6]C[6]Br)(H){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]O[5,6]H)(C[6]C[6]Br)(Br){1|H<1>,1|O<1>,3|C<4>}	H(C[5,6]C[5,6,6]O[5,6]C[6])	111.1090	0.000	1	111.1090	0.000	1	111.1090	0.000	1	110.5281	0.839	17	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:2:3:1:	4:3:1:	4:	C[5,6,6]-4:O[5,6]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[3x6]H)(O[5,6]C[5,6])(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6,6]O[5,6]H)(C[6]C[6]Br)(O)	H(C[5,6]C[5,6,6]O[5,6]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[3x6]H)(O[5,6]C[5,6])(C[6]C[6]O)(H){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]O[5,6]H)(C[6]C[6]Br)(O){1|Br<1>,1|H<1>,3|C<4>}	H(C[5,6]C[5,6,6]O[5,6]C[6])	110.6070	0.000	1	110.6070	0.000	1	110.6070	0.000	1	110.5281	0.839	17	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:2:3:1:	4:3:1:	4:	C[5,6]-4:O[5]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(O[5]C[5,5])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,5]C[6]C)(O[5]C[5,5])(C[6]C[6]H)(H){2|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H){2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	108.8210	0.000	1	108.8210	0.000	1	110.2557	0.973	6	110.5281	0.839	17	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:2:3:1:	4:3:1:	4:	C[5,6]-4:O[5]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]O[6]H)(O[5]C[5,5])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,5]O[6]H)(O[5]C[5,5])(C[6]C[6]H)(H){1|C<3>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.9700	0.492	2	109.9700	0.242	2	110.2557	0.973	6	110.5281	0.839	17	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:2:3:1:	4:3:1:	4:	C[5,6]-4:O[5]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	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)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]H)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]H)(H){1|O<2>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	111.7400	0.000	1	111.7400	0.000	1	110.2557	0.973	6	110.5281	0.839	17	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:2:3:1:	4:3:1:	4:	C[5,6]-4:O[5]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5,6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(O[5]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	110.5165	0.251	2	110.5165	0.063	2	110.2557	0.973	6	110.5281	0.839	17	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:2:3:1:	4:3:2:	4:	C[5,3x6]-4:O[5]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]H)(OC)	H(C[5,6]C[5,3x6]C[6]O[5])	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]H)(OC){1|C<4>,1|H<1>,3|C<3>}	H(C[5,6]C[5,3x6]C[6]O[5])	110.2380	0.000	1	110.2380	0.000	1	110.2380	0.000	1	108.9047	1.335	3	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:2:3:1:	4:3:2:	4:	C[5,6]-4:O[5]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-2:	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]O)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(OH)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]O)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(OH){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.2380	0.062	2	108.2380	0.004	2	108.2380	0.004	2	108.9047	1.335	3	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:2:3:1:	4:3:3:	4:	C[5,5]-4:O[5,6]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]C)(O[5,6]C[5,6])(C[6]C[6]C)(H)	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]H)(CCH)	H(C[5,6]C[5,5]O[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]C)(O[5,6]C[5,6])(C[6]C[6]C)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]H)(CCH){1|O<1>,4|C<4>}	H(C[5,6]C[5,5]O[5,6]C[6])	110.5070	0.000	1	110.5070	0.000	1	110.5070	0.000	1	108.1535	11.078	2	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:2:3:1:	4:3:3:	4:	C[5,6]-4:O[5,6]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]O)(COO)	H(C[5,6]C[5,6]O[5,6]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(O[5,6]C[5,6])(C[6]C[6]C)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]O)(COO){1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]O[5,6]C[6])	105.8000	0.000	1	105.8000	0.000	1	105.8000	0.000	1	108.1535	11.078	2	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:2:3:1:	4:3:4:	4:	C[5]-4:O[5,6]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]C)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(CC[6]HH)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[5]C[5]C[6]H)(O[5,6]C[5,6])(C[6]C[6]C)(H){4|C<4>,4|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(CC[6]HH){1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]O[5,6]C[5]C[6])	110.5860	0.000	1	110.5860	0.000	1	110.5860	0.000	1	110.5860	0.000	1	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:2:3:1:	4:4:1:	4:	C[3,5]-4:O[5,6]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](C[3,5]C[3,5]2O[5])(O[5,6]C[5,6])(C[6]C[6]O)(H)	C[6](C[5,6]C[3,5]O[5,6]H)(C[6]C[6]HH)(O)	H(C[5,6]C[3,5]O[5,6]C[6])	C[5,6](C[3,5]C[3,5]2O[5])(O[5,6]C[5,6])(C[6]C[6]O)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[3,5]O[5,6]H)(C[6]C[6]HH)(O){1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[3,5]O[5,6]C[6])	112.2190	0.180	2	112.2190	0.032	2	112.2190	0.032	2	110.0563	1.915	17	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:2:3:1:	4:4:1:	4:	C[5,3x6]-4:O[5]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(O)	H(C[5,6]C[5,3x6]C[6]O[5])	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(O){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,3x6]C[6]O[5])	110.1786	0.618	5	109.9060	0.773	8	109.9060	0.773	8	110.0563	1.915	17	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:2:3:1:	4:4:1:	4:	C[5,3x6]-4:O[5]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(O)	H(C[5,6]C[5,3x6]C[6]O[5])	C[5,6](C[5,3x6]C[5,6,6a]C[3x6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H){2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(O){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,3x6]C[6]O[5])	109.4517	1.203	3	109.9060	0.773	8	109.9060	0.773	8	110.0563	1.915	17	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:2:3:1:	4:4:1:	4:	C[5,5]-4:O[5,6]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(H)	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O)	H(C[5,6]C[5,5]O[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(H){1|O<1>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O){1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5]O[5,6]C[6])	110.9720	0.225	2	110.9720	0.051	2	110.8627	0.061	3	110.0563	1.915	17	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:2:3:1:	4:4:1:	4:	C[5,5]-4:O[5,6]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]N[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(H)	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O)	H(C[5,6]C[5,5]O[5,6]C[6])	C[5,6](C[5,5]C[5,5]N[5]H)(O[5,6]C[5,6])(C[6]C[6]O)(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]HH)(O){1|N<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5]O[5,6]C[6])	110.6440	0.000	1	110.6440	0.000	1	110.8627	0.061	3	110.0563	1.915	17	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:2:3:1:	4:4:1:	4:	C[5,6,6]-4:O[5]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(O)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(O[5]C[5,6a])(C[6]C[6]O)(H){2|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(O){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	110.4550	0.000	1	110.4550	0.000	1	110.4550	0.000	1	110.0563	1.915	17	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:2:3:1:	4:4:1:	4:	C[5,6]-4:O[5]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5,5])(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CC)(O)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(O[5]C[5,5])(C[6]C[6]O)(H){1|O<1>,3|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CC)(O){1|H<1>,2|C<4>,3|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	108.8900	0.000	1	108.8900	0.000	1	108.8900	0.000	1	110.0563	1.915	17	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:2:3:1:	4:4:1:	4:	C[5,6]-4:S[5]-2:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(S[5]C[5,6a])(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(O)	H(C[5,6]C[5,6]C[6]S[5])	C[5,6](C[5,6]C[5,6a]C[6]C)(S[5]C[5,6a])(C[6]C[6]O)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(O){2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]S[5])	107.6690	0.819	2	107.6690	0.670	2	107.6690	0.670	2	110.0563	1.915	17	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	3:4:3:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]C)(O[5]N[5])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(CC[6a]H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]C)(O[5]N[5])(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(CC[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.7500	0.000	1	110.7500	0.000	1	110.7500	0.000	1	110.9785	0.035	11	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	3:4:3:	4:	C[5]-4:C[6]-3:O[5,6]-2:H-1:	C[6,6a]-3:C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](C[5]C[6a]O[5]H)(C[6]C[6,6a]C)(O[5,6]C[5,6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(CHH)	H(C[5,6]O[5,6]C[5]C[6])	C[5,6](C[5]C[6a]O[5]H)(C[6]C[6,6a]C)(O[5,6]C[5,6])(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(CHH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,6]O[5,6]C[5]C[6])	111.0014	0.180	10	111.0014	0.032	10	111.0014	0.032	10	110.9785	0.035	11	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:2:1:	4:	C[5,6]-4:C[6]-3:N[5]-2:H-1:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]N[5]H)(C[6]O[6]O)(N[5]N[5])(H)	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6,6])(O)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6,6]N[5]H)(C[6]O[6]O)(N[5]N[5])(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6,6])(O){1|N<2>,1|N<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	108.6710	0.000	1	108.6710	0.000	1	108.6710	0.000	1	108.6710	0.000	1	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,3x6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6,6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6,6]C[5,6]C[6,6])(H)	H(C[5,6]C[5,3x6]C[6]O[5])	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6,6]H)(O[5]C[5])(H){1|O<1>,6|C<4>}	C[6](C[5,6]C[5,3x6]O[5]H)(C[6,6]C[5,6]C[6,6])(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,3x6]C[6]O[5])	108.2290	0.000	1	108.2290	0.000	1	108.0795	0.045	2	109.4621	1.252	57	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,3x6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6,6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6,6]C[6,6]C[6])(H)	H(C[5,6]C[5,3x6]C[6]O[5])	C[5,6](C[5,3x6]C[5,6,6]C[4x6]H)(C[6]C[6,6]H)(O[5]C[5])(H){1|O<1>,6|C<4>}	C[6](C[5,6]C[5,3x6]O[5]H)(C[6,6]C[6,6]C[6])(H){1|C<3>,4|C<4>,4|H<1>}	H(C[5,6]C[5,3x6]C[6]O[5])	107.9300	0.000	1	107.9300	0.000	1	108.0795	0.045	2	109.4621	1.252	57	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]H)(O[5]C[5])(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]H)(H){2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[6]O[5])	110.0730	0.000	1	110.0730	0.000	1	110.0730	0.000	1	109.4621	1.252	57	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]O)(O[5]N[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]H)(O)	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]O)(O[5]N[5])(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[5,6]C[5,5,6]C[6]O[5])	110.8190	0.000	1	110.8190	0.000	1	110.8190	0.000	1	109.4621	1.252	57	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,5,6]-4:C[6]-3:S[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]H)(S[5]C[5])(H)	C[6](C[5,6]C[5,5,6]S[5]H)(C[6]C[6]O)(H)	H(C[5,6]C[5,5,6]C[6]S[5])	C[5,6](C[5,5,6]N[5,5]C[5]C[6])(C[6]C[6]H)(S[5]C[5])(H){1|B<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	C[6](C[5,6]C[5,5,6]S[5]H)(C[6]C[6]O)(H){1|H<1>,1|N<3>,3|C<3>}	H(C[5,6]C[5,5,6]C[6]S[5])	109.5255	0.011	2	109.5255	0.000	2	109.5255	0.000	2	109.4621	1.252	57	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6,6]-4:C[6]-3:N[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]H)(N[5]N[5])(H)	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[5,6]H)(H)	H(C[5,6]C[5,6,6]C[6]N[5])	C[5,6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]H)(N[5]N[5])(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[5,6]H)(H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6,6]C[6]N[5])	112.2400	0.000	1	112.2400	0.000	1	112.2400	0.000	1	109.4621	1.252	57	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[3x6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3x6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[3x6]C[4x6]C[6,6])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3x6]H)(O[5]C[5])(H){1|O<1>,6|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[3x6]C[4x6]C[6,6])(H){1|C<3>,3|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	108.3130	0.017	2	108.3120	0.000	3	108.3120	0.000	3	109.4621	1.252	57	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[3x6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3x6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[3x6]C[4x6]C[6,6])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[3x6]H)(O[5]C[5])(H){1|O<2>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[3x6]C[4x6]C[6,6])(H){3|H<1>,6|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	108.3100	0.000	1	108.3120	0.000	3	108.3120	0.000	3	109.4621	1.252	57	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H){1|C<3>,1|O<1>,5|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	108.5853	0.092	3	108.4453	0.039	10	108.4453	0.039	10	109.4621	1.252	57	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H){1|C<3>,1|O<1>,5|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	108.4503	0.124	3	108.4453	0.039	10	108.4453	0.039	10	109.4621	1.252	57	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H){1|C<3>,1|O<1>,5|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6,6]C[6]O[5])	108.5110	0.000	1	108.4453	0.039	10	108.4453	0.039	10	109.4621	1.252	57	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H){1|C<3>,1|O<1>,5|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6,6]C[6]O[5])	108.5870	0.000	1	108.4453	0.039	10	108.4453	0.039	10	109.4621	1.252	57	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H){1|O<1>,2|C<3>,4|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	108.2100	0.000	1	108.4453	0.039	10	108.4453	0.039	10	109.4621	1.252	57	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O[5]C[5])(H){1|O<1>,6|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H){1|C<3>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	108.0380	0.000	1	108.4453	0.039	10	108.4453	0.039	10	109.4621	1.252	57	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,5,6]C)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)(O[5]C[5])(H){1|H<1>,7|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,5,6]C)(H){1|H<1>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	111.0450	0.000	1	111.0450	0.000	1	110.5976	2.962	5	109.4621	1.252	57	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]C)(C[6]C[6]H)(O[5]O[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6,6]C[6,6]C)(C[6]C[6]H)(O[5]O[5])(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(H){1|O<2>,5|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	109.1790	0.379	2	109.1790	0.144	2	110.5976	2.962	5	109.4621	1.252	57	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(O[5]N[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6]H)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(O[5]N[5])(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	113.3130	0.000	1	113.3130	0.000	1	110.5976	2.962	5	109.4621	1.252	57	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(O[5]N[5])(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(O[5]N[5])(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6,6]C[6]O[5])	110.2720	0.000	1	110.2720	0.000	1	110.5976	2.962	5	109.4621	1.252	57	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:Br-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]H)(Br)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]H)(Br){2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	109.6460	0.020	2	109.6460	0.000	2	109.9573	0.354	8	109.4621	1.252	57	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:Br-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]Br)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Br)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]Br)(O[5]C[5])(H){1|C<4>,1|O<1>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Br){1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.8950	0.000	1	108.8950	0.000	1	109.9573	0.354	8	109.4621	1.252	57	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:Br-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Br)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H){1|N<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Br){2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	110.4815	0.373	2	110.2942	0.147	5	109.9573	0.354	8	109.4621	1.252	57	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:Br-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Br)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Br){1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.7790	0.000	1	110.2942	0.147	5	109.9573	0.354	8	109.4621	1.252	57	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:Br-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Br)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Br)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Br){2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	110.3645	0.325	2	110.2942	0.147	5	109.9573	0.354	8	109.4621	1.252	57	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:Cl-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Cl)(O[5]S[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Cl)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Cl)(O[5]S[5])(H){1|C<4>,2|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(Cl){1|C<4>,1|O<2>,1|S<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.0450	0.000	1	110.0450	0.000	1	110.0450	0.000	1	109.4621	1.252	57	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,6,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,6]H)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[3,6,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H){1|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,6]H)(H){1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.4660	0.668	3	110.4660	0.447	3	109.7474	0.744	15	109.4621	1.252	57	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]H)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H){1|C<3>,1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]H)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	109.1120	0.000	1	110.0655	1.818	2	109.7474	0.744	15	109.4621	1.252	57	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]H)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H){1|H<1>,1|N<3>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]H)(H){1|N<2>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	111.0190	0.000	1	110.0655	1.818	2	109.7474	0.744	15	109.4621	1.252	57	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]Br)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H){1|Br<1>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]Br)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	110.3190	0.267	2	110.3190	0.071	2	109.7474	0.744	15	109.4621	1.252	57	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(O[5]C[5])(H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H){1|O<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	108.9390	0.000	1	108.9390	0.000	1	109.7474	0.744	15	109.4621	1.252	57	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]H)(O[5]C[5])(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H){1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.5850	0.000	1	109.5850	0.000	1	109.7474	0.744	15	109.4621	1.252	57	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]Br)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(O[5]C[5])(H){1|Br<1>,1|C<4>,1|O<1>,2|F<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]Br)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	108.5995	0.453	2	108.5995	0.205	2	109.7474	0.744	15	109.4621	1.252	57	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(O[5]C[5])(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[5,6]C[5,6]C[6]O[5])	109.1450	0.000	1	109.8865	1.100	2	109.7474	0.744	15	109.4621	1.252	57	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>,2|F<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	110.6280	0.000	1	109.8865	1.100	2	109.7474	0.744	15	109.4621	1.252	57	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.0350	0.000	1	109.0350	0.000	1	109.7474	0.744	15	109.4621	1.252	57	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(H){1|N<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H){2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	109.5130	0.000	1	109.5130	0.000	1	109.7474	0.744	15	109.4621	1.252	57	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:I-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]I)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(I)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]I)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(I){1|Cl<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.9040	0.000	1	109.1683	0.406	3	109.1683	0.406	3	109.4621	1.252	57	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:I-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]I)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(I)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]I)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(I){2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	108.8005	0.019	2	109.1683	0.406	3	109.1683	0.406	3	109.4621	1.252	57	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]N[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(O)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]N[5])(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.6580	0.000	1	110.6580	0.000	1	110.1350	0.547	2	109.4621	1.252	57	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]O)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(O)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]O)(O[5]C[5])(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(O){1|H<1>,2|C<4>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	109.6120	0.000	1	109.6120	0.000	1	110.1350	0.547	2	109.4621	1.252	57	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:S[5]-2:H-1:	C[5,6]-4:C[6]-3:Cl-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]Cl)(S[5]C[5])(H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]Cl)(Cl)	H(C[5,6]C[5,6]C[6]S[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]Cl)(S[5]C[5])(H){2|Cl<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]Cl)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[6]S[5])	108.8050	0.000	1	108.8050	0.000	1	108.8050	0.000	1	109.4621	1.252	57	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:S[5]-2:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]C)(C[6]N[6]O)(S[5]C[5])(H)	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[6,6a]H)(O)	H(C[5,6]C[5,6]C[6]S[5])	C[5,6](C[5,6]C[6,6a]N[5]C)(C[6]N[6]O)(S[5]C[5])(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[6,6a]H)(O){1|C<4>,1|N<2>,3|C<3>}	H(C[5,6]C[5,6]C[6]S[5])	108.0630	0.274	2	108.0630	0.075	2	108.0630	0.075	2	109.4621	1.252	57	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]C)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(CHO)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]C)(O[5]C[5])(H){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(CHO){2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	111.3630	0.000	1	111.3630	0.000	1	111.3630	0.000	1	110.1863	0.933	7	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]2)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6])(C[6]C[6]H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]2)(O[5]C[5])(H){1|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6])(C[6]C[6]H){2|O<2>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.4305	0.063	2	109.4305	0.004	2	109.4305	0.004	2	110.1863	0.933	7	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6a]C[6])(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6a]C[6])(O[5]C[5])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]H){2|C<3>,2|C<4>,3|H<1>,3|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	110.9895	0.979	2	110.2700	1.014	4	110.2700	1.014	4	110.1863	0.933	7	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6a]C[6])(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6a]C[6])(O[5]C[5])(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.5505	0.110	2	110.2700	1.014	4	110.2700	1.014	4	110.1863	0.933	7	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:3:4:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]C)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(CH3)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]C)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(CH3){2|C<4>,2|H<1>,2|O<2>}	H(C[5,6]C[5,6]C[6]O[5])	109.2210	0.000	1	109.2210	0.000	1	109.2210	0.000	1	109.2210	0.000	1	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:4:1:	4:	C[5,5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]O)(O[5]C[5])(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]CH)(O)	H(C[5,6]C[5,5,6]C[6]O[5])	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]O)(O[5]C[5])(H){1|O<1>,5|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]CH)(O){1|C<3>,5|C<4>}	H(C[5,6]C[5,5,6]C[6]O[5])	108.5020	0.000	1	108.5020	0.000	1	108.5020	0.000	1	109.6440	1.708	24	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:4:1:	4:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6,6]-4:C[5,6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O)(O[5]C[5])(H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6]C[5,6,6]O[5]H)(O)	H(C[5,6]C[5,6,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O)(O[5]C[5])(H){2|C<3>,2|H<1>,5|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[5,6]C[5,6,6]O[5]H)(O){1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	H(C[5,6]C[5,6,6]C[6]O[5])	110.9190	0.000	1	110.9190	0.000	1	110.9190	0.000	1	109.6440	1.708	24	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6,6]-4:C[5,6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[5,6,6]O)(O[5]C[5])(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]H)(O)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[5,6,6]O)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]H)(O){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.4360	0.000	1	109.4360	0.000	1	109.4360	0.000	1	109.6440	1.708	24	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]O)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(O)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]O)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(O){1|C<3>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	105.3970	0.000	1	106.9420	4.774	2	109.5954	3.392	9	109.6440	1.708	24	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]O)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(O)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]CH)(C[6]C[5,6]O)(O[5]C[5])(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(O){2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	108.4870	0.000	1	106.9420	4.774	2	109.5954	3.392	9	109.6440	1.708	24	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]2H)(O)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]2H)(O){2|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	111.0635	0.071	2	111.0635	0.005	2	109.5954	3.392	9	109.6440	1.708	24	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)2(O)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)2(O){2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	110.5255	1.340	2	110.5255	1.796	2	109.5954	3.392	9	109.6440	1.708	24	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H)	C[6](C[5,6]C[5]O[5]O[6])(C[5,6]C[5,6]O[5]H)(O)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5]O[5]O[6])(C[5,6]C[5,6]O[5]H)(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.0780	0.000	1	109.7657	0.177	3	109.5954	3.392	9	109.6440	1.708	24	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H)	C[6](C[5,6]C[5]O[5]O[6])(C[5,6]C[5,6]O[5]H)(O)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5]O[5]O[6])(C[5,6]C[5,6]O[5]H)(O){2|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.6095	0.455	2	109.7657	0.177	3	109.5954	3.392	9	109.6440	1.708	24	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]O)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]2)(O)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]O)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]2)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.0385	0.357	2	110.1967	0.206	7	110.1967	0.206	7	109.6440	1.708	24	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]O)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]2)(O)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]O)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]O[6]2)(O){1|N<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	110.2600	0.510	5	110.1967	0.206	7	110.1967	0.206	7	109.6440	1.708	24	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]C)(C[6]C[6]O)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(O)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]C)(C[6]C[6]O)(O[5]C[5])(H){1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	107.5310	0.000	1	107.5310	0.000	1	108.9726	0.881	5	109.6440	1.708	24	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(O)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(O[5]C[5])(H){1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(O){1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.7455	0.217	2	109.7455	0.047	2	108.9726	0.881	5	109.6440	1.708	24	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]N[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(O)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]N[5])(H){3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	109.2340	0.000	1	109.2340	0.000	1	108.9726	0.881	5	109.6440	1.708	24	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]O)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(O)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]O)(O[5]C[5])(H){1|O<2>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(O){1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]O[5])	108.6070	0.000	1	108.6070	0.000	1	108.9726	0.881	5	109.6440	1.708	24	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:2:1:	4:4:3:	4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]C)(O[5]C[5])(H)	C[6](C[5,6]C[5,6]O[5]H)2(CHO)	H(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6]C)(O[5]C[5])(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]H)2(CHO){2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[6]O[5])	109.2300	0.221	2	109.2300	0.049	2	109.2300	0.049	2	109.2300	0.049	2	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	3:4:1:	4:	B[5]-4:C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](B[5]C[5,6a]C[6a]2)(C[5,6]C[5,6a]C[6])(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]B[5]H)(H)	H(C[5,6]C[5,6]B[5]C[6])	C[5,6](B[5]C[5,6a]C[6a]2)(C[5,6]C[5,6a]C[6])(C[6]C[5,6]H)(H){1|C<4>,1|H<1>,7|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]B[5]H)(H){1|B<4>,1|H<1>,7|C<3>}	H(C[5,6]C[5,6]B[5]C[6])	108.6690	0.000	1	108.6690	0.000	1	108.6690	0.000	1	110.4225	6.150	2	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	3:4:1:	4:	C[5,6]-4:C[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]O)(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(O)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,5,6]O)(C[6]C[6,6a]O)(H){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[5,6]C[5,6]2C[6])	112.1760	0.000	1	112.1760	0.000	1	112.1760	0.000	1	110.4225	6.150	2	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:2:1:	4:	C[5,5,6]-4:C[5,6a]-3:C[6]-3:H-1:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]O[6]O)(H)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(O[6]C[6,6a])(O)	H(C[5,6]C[5,5,6]C[5,6a]C[6])	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]O[6]O)(H){1|H<1>,7|C<3>}	C[6](C[5,6]C[5,5,6]C[5,6a]H)(O[6]C[6,6a])(O){6|C<3>}	H(C[5,6]C[5,5,6]C[5,6a]C[6])	108.6650	0.112	2	108.6650	0.012	2	108.6650	0.012	2	108.1488	1.667	4	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:2:1:	4:	C[5,6,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]C[5]O)(C[6]O[6]O)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(O[6]C[5,6])(O)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]2C[6])(C[5]C[5]O)(C[6]O[6]O)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(O[6]C[5,6])(O){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	106.2320	0.000	1	106.2320	0.000	1	106.2320	0.000	1	108.1488	1.667	4	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:2:1:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]O[5]O)(C[6]O[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]O[5]O)(C[6]O[6]O)(H){4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.0330	0.000	1	109.0330	0.000	1	109.0330	0.000	1	108.1488	1.667	4	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[3,5,5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[3,5,5,6]C[3,5,6]C[5,6a]C[3,5])(C[6]C[6]H)(N[5]C[5]C)(H)	C[6](C[5,6]C[3,5,5,6]N[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[3,5,5,6]C[6]N[5])	C[5,6](C[3,5,5,6]C[3,5,6]C[5,6a]C[3,5])(C[6]C[6]H)(N[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5,6]C[3,5,5,6]N[5]H)(C[6]C[6]H)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[3,5,5,6]C[6]N[5])	110.8120	0.000	1	110.8120	0.000	1	110.8120	0.000	1	109.7636	3.043	63	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[3x5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5,6]N[5,5]N[5])(C[5]C[5]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[3x5,6]C[5]C[6])	C[5,6](C[3x5,6]C[5,5,6]N[5,5]N[5])(C[5]C[5]C)(C[6]C[6]H)(H){3|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|N<3>}	H(C[5,6]C[3x5,6]C[5]C[6])	108.7380	0.000	1	108.7380	0.000	1	108.7380	0.000	1	109.7636	3.043	63	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,5,6]-4:C[5,6a]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[5,6]C)(H)	H(C[5,6]C[5,5,6]C[5,6a]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[5,6]C)(H){2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6a]C[6])	111.9620	0.000	1	111.9620	0.000	1	111.9620	0.000	1	109.7636	3.043	63	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5]O[5]O)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6,6]C)(H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5]O[5]O)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6,6]C)(H){1|O<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	110.8110	0.310	2	110.8110	0.096	2	110.8110	0.096	2	109.7636	3.043	63	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[5]N[5]O)(C[6]N[6]O)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6]C)(O)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6a]C[5,5]C[6])(C[5]N[5]O)(C[6]N[6]O)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6]C)(O){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	109.0560	0.000	1	109.0560	0.000	1	109.0560	0.000	1	109.7636	3.043	63	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[6]C[6]H)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[6]C[6]H)(N[5]C[5]S)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|S<4>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[6]N[5])	109.3402	1.018	5	109.3402	1.037	5	109.3402	1.037	5	109.7636	3.043	63	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,5,6]-4:N[5,6]-3:C[6]-3:H-1:	C[5,6]-4:N[6,6]-3:O-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]2H)(N[5,6]C[5]C[6])(C[6]N[6,6]O)(H)	C[6](C[5,6]C[5,5,6]N[5,6]H)(N[6,6]C[6,6]C[6])(O)	H(C[5,6]C[5,5,6]N[5,6]C[6])	C[5,6](C[5,5,6]C[5,5,6]2H)(N[5,6]C[5]C[6])(C[6]N[6,6]O)(H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]N[5,6]H)(N[6,6]C[6,6]C[6])(O){3|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]N[5,6]C[6])	108.8700	0.000	1	108.8700	0.000	1	108.8700	0.000	1	109.7636	3.043	63	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,5]-4:N[5,6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:Br-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6]Br)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]H)(Br)	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6]Br)(H){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]H)(Br){1|H<1>,2|C<4>,3|C<3>}	H(C[5,6]C[5,5]N[5,6]C[6])	108.6155	1.054	2	108.6155	1.112	2	108.6155	1.112	2	109.7636	3.043	63	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,5]-4:N[5,6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[6,6a]N[5])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6,6a]H)(H)	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[6,6a]N[5])(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6,6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[5,6]C[5,5]N[5,6]C[6])	107.5610	0.000	1	107.5610	0.000	1	108.4786	0.332	5	109.7636	3.043	63	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,5]-4:N[5,6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6]H)(H){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]H)(H){1|C<2>,2|C<4>,3|C<3>}	H(C[5,6]C[5,5]N[5,6]C[6])	108.8860	0.000	1	108.8860	0.000	1	108.4786	0.332	5	109.7636	3.043	63	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,5]-4:N[5,6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[6,6a]C[5])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6,6a]H)(H)	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[6,6a]C[5])(C[6]C[6]H)(H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6,6a]H)(H){2|C<4>,4|C<3>}	H(C[5,6]C[5,5]N[5,6]C[6])	108.6487	0.341	3	108.6487	0.116	3	108.4786	0.332	5	109.7636	3.043	63	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]C[5,6a]H)(C[6]C[5,6,6]C[5])(H)	H(C[5,6]C[5,6,6]C[5,6a]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(H){2|C<4>,4|H<1>,5|C<3>}	C[6](C[5,6]C[5,6,6]C[5,6a]H)(C[6]C[5,6,6]C[5])(H){4|C<3>,5|C<4>}	H(C[5,6]C[5,6,6]C[5,6a]C[6])	107.5610	0.000	2	107.5610	0.000	2	108.4403	2.320	3	109.7636	3.043	63	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]N[5,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]C[5,6a]H)(C[6]C[6,6]H)(H)	H(C[5,6]C[5,6,6]C[5,6a]C[6])	C[5,6](C[5,6,6]N[5,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5,6a]H)(C[6]C[6,6]H)(H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	H(C[5,6]C[5,6,6]C[5,6a]C[6])	110.1990	0.000	1	110.1990	0.000	1	108.4403	2.320	3	109.7636	3.043	63	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]O)(C[6]C[6]H)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.9690	0.000	1	109.9690	0.000	1	109.9690	0.000	1	109.7636	3.043	63	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6,6]C[6]N[5])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(N[5]C[5]S)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]H)(H){1|S<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6,6]C[6]N[5])	109.3080	0.000	1	109.3080	0.000	1	109.3080	0.000	1	109.7636	3.043	63	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[5,6a]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6a]C[5,6a]2)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]H)(H)	H(C[5,6]C[5,6a]C[5,6]C[6])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5,6a]C[5,6a]2)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<4>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	H(C[5,6]C[5,6a]C[5,6]C[6])	109.1180	0.000	1	109.1180	0.000	1	109.1180	0.000	1	109.7636	3.043	63	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]N[5]O)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3,6]C[5]H)(C[5]N[5]O)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3,6]C)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.5370	0.000	1	109.5370	0.000	1	109.7754	4.450	17	109.7636	3.043	63	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]CC)(C[5]C[6a]C[5])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C[6a])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]CC)(C[5]C[6a]C[5])(C[6]C[6]H)(H){6|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C[6a])(H){2|C<4>,6|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	112.9550	0.000	1	112.9550	0.000	1	109.7754	4.450	17	109.7636	3.043	63	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6a]H)(C[5]C[5]O)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6a]H)(C[5]C[5]O)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	113.5110	0.027	2	113.5110	0.001	2	109.7754	4.450	17	109.7636	3.043	63	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]N[5]O)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]N[5]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|Br<1>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.8690	0.000	1	110.8690	0.000	1	109.7754	4.450	17	109.7636	3.043	63	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]H)(H){1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.6160	0.000	1	109.6160	0.000	1	109.7754	4.450	17	109.7636	3.043	63	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6])(H){1|C<4>,6|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.7965	0.105	2	108.7965	0.011	2	109.7754	4.450	17	109.7636	3.043	63	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]O)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H){2|O<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.1840	0.000	1	107.1840	0.000	1	109.7754	4.450	17	109.7636	3.043	63	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]O)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]O)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6])(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.5080	0.000	1	107.5080	0.000	1	109.7754	4.450	17	109.7636	3.043	63	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.4330	0.000	1	106.4330	0.000	1	109.7754	4.450	17	109.7636	3.043	63	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.9485	0.101	2	110.9485	0.010	2	109.7754	4.450	17	109.7636	3.043	63	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]C)(C[6]C[6]H)(H){1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.7340	0.000	1	109.7340	0.000	1	109.7754	4.450	17	109.7636	3.043	63	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]N[5])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]N[5])(C[6]C[6]H)(H){1|S<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.5160	0.000	1	108.5160	0.000	1	109.7754	4.450	17	109.7636	3.043	63	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]N[5])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]N[5])(C[6]C[6]H)(H){1|S<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.8880	0.000	1	108.8880	0.000	1	109.7754	4.450	17	109.7636	3.043	63	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.4300	0.000	1	108.4300	0.000	1	109.7754	4.450	17	109.7636	3.043	63	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]C)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(O){1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	113.1335	0.094	2	113.0543	0.023	3	112.6188	0.774	4	109.7636	3.043	63	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]C)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(O){1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	112.8960	0.000	1	113.0543	0.023	3	112.6188	0.774	4	109.7636	3.043	63	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5])(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5])(C[6]C[6]O)(H){1|H<1>,2|O<2>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	111.3120	0.000	1	111.3120	0.000	1	112.6188	0.774	4	109.7636	3.043	63	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:C[5]-3:H-1:	C[5,6]-4:C[6,6]-3:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]O)(C[5]C[5]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]O)(C[5]C[5]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(O){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	113.5560	0.000	1	113.5560	0.000	1	113.5560	0.000	1	109.7636	3.043	63	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:C[5]-3:H-1:	C[5,6]-4:C[6]-3:Cl-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]Cl)(C[5]C[5]2)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Cl)(Cl)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]Cl)(C[5]C[5]2)(H){2|Cl<1>,1|C<3>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Cl)(Cl){1|Cl<1>,1|H<1>,1|S<2>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.4240	0.000	1	109.4240	0.000	1	109.4240	0.000	1	109.7636	3.043	63	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[4,6]O[5]H)(C[6]C[6]H)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[4,6]H)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[4,6]O[5]H)(C[6]C[6]H)(N[5]C[5]S)(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[4,6]H)(H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.8670	0.000	1	110.8670	0.000	1	109.6856	0.716	7	109.7636	3.043	63	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(N[5]C[5]C)(H){1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[6]N[5])	110.1680	0.000	1	110.1680	0.000	1	109.6856	0.716	7	109.7636	3.043	63	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]C)(H){1|S<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[6]N[5])	110.5730	0.000	1	110.5730	0.000	1	109.6856	0.716	7	109.7636	3.043	63	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]H)(N[5]C[5]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6a]H)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]H)(N[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[6]N[5])	108.8420	0.059	2	108.8420	0.004	2	109.6856	0.716	7	109.7636	3.043	63	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]H)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]H)(N[5]C[5]C)(H){1|C<4>,2|C<3>,7|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(H){1|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	109.2535	0.281	2	109.2535	0.079	2	109.6856	0.716	7	109.7636	3.043	63	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:N[5,6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(N[5,6]C[5,6]C[6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[5,6]H)(H)	H(C[5,6]C[5,6]N[5,6]C[6])	C[5,6](C[5,6]C[5,5,6]HH)(N[5,6]C[5,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[5,6]H)(H){1|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]N[5,6]C[6])	111.5930	0.000	1	111.5930	0.000	1	111.5930	0.000	1	109.7636	3.043	63	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]N[6]H)(N[5]C[5,5]C[6a])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,5]N[6]H)(N[5]C[5,5]C[6a])(C[6]C[6]H)(H){3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	110.0100	0.000	1	110.0100	0.000	1	109.9985	0.032	4	109.7636	3.043	63	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6,6]H)(N[5]C[5,6a]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6]C)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6a]C[6,6]H)(N[5]C[5,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6]C)(H){2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.2370	0.000	1	110.2370	0.000	1	109.9985	0.032	4	109.7636	3.043	63	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(N[5]C[6a]C[5])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]N[6]H)(N[5]C[6a]C[5])(C[6]C[6]H)(H){2|C<2>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>,2|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	109.9380	0.000	1	109.8735	0.008	2	109.9985	0.032	4	109.7636	3.043	63	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]N[6]H)(N[5]C[6a]C[5])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5]N[6]H)(N[5]C[6a]C[5])(C[6]C[6]H)(H){2|C<2>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	109.8090	0.000	1	109.8735	0.008	2	109.9985	0.032	4	109.7636	3.043	63	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	C[5]-4:C[5,6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.1430	0.000	1	111.1430	0.000	1	111.1430	0.000	1	109.7636	3.043	63	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	Si[5,5]-4:C[5,6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](Si[5,5]C[5]2O[5])(C[5,6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5,6]Si[5,5]C[5,6]H)(C[6]C[6]H)(H)	H(C[5,6]Si[5,5]C[5,6]C[6])	C[5,6](Si[5,5]C[5]2O[5])(C[5,6]C[5]C[6])(C[6]C[6]H)(H){4|Si<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]Si[5,5]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[5,6]Si[5,5]C[5,6]C[6])	105.8120	0.000	1	105.8120	0.000	1	105.8120	0.000	1	109.7636	3.043	63	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:1:	4:	Si[5,6]-4:C[5,6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](Si[5,6]N[5]N[6]2)(C[5,6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5,6]Si[5,6]C[5,6]H)(C[6]C[6]H)(H)	H(C[5,6]Si[5,6]C[5,6]C[6])	C[5,6](Si[5,6]N[5]N[6]2)(C[5,6]C[5]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,6|C<3>}	C[6](C[5,6]Si[5,6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>,3|N<3>}	H(C[5,6]Si[5,6]C[5,6]C[6])	108.0270	0.000	1	108.0270	0.000	1	108.0270	0.000	1	109.7636	3.043	63	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[5,5,6]-4:N[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]H)(COO)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]H)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]H)(COO){2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[6]N[5])	108.1370	0.000	1	108.1370	0.000	1	108.1370	0.000	1	109.3542	2.933	12	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:H-1:	C[5,6]-4:C[5,6]-3:N-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]N)(H)	C[6](C[5,6]C[5,6,6]C[5,6a]H)(C[5,6]N[5,6]N[5])(NOO)	H(C[5,6]C[5,6,6]C[5,6a]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]N)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>,2|O<2>}	C[6](C[5,6]C[5,6,6]C[5,6a]H)(C[5,6]N[5,6]N[5])(NOO){1|H<1>,3|C<3>,4|C<4>}	H(C[5,6]C[5,6,6]C[5,6a]C[6])	107.1390	0.000	1	107.1390	0.000	1	107.1390	0.000	1	109.3542	2.933	12	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[5,6,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]O[5]O)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CHH)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]O[5]O)(C[6]C[6]C)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CHH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	113.4740	0.000	1	113.4740	0.000	1	113.4740	0.000	1	109.3542	2.933	12	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]H)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(COO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]H)(C[6]C[6]C)(H){1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(COO){1|C<4>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4900	0.000	1	108.4900	0.000	1	108.8050	0.198	2	109.3542	2.933	12	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CC[6a]H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CC[6a]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.1200	0.000	1	109.1200	0.000	1	108.8050	0.198	2	109.3542	2.933	12	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]2)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2)(C[6]C[6]C)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]2)(H){1|O<1>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2)(C[6]C[6]C){1|H<1>,3|C<4>,6|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.3140	0.072	2	108.3140	0.005	2	108.3140	0.005	2	109.3542	2.933	12	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6]-3:C[5]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[5]C[6])(C[5]C[5]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5]S[5]2)(C[6]C[6]O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[5]C[6])(C[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|S<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[5]S[5]2)(C[6]C[6]O){1|C<2>,1|N<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.8510	0.000	1	108.8510	0.000	1	108.8510	0.000	1	109.3542	2.933	12	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(COO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6a]C[6]N)(N[5]C[5,6a]S)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(COO){1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	110.5735	1.597	2	110.5735	2.552	2	110.5735	2.552	2	109.3542	2.933	12	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:N-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a]C)(C[6]C[6]N)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6]H)(NOO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a]C)(C[6]C[6]N)(H){1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6]H)(NOO){2|C<4>,4|C<3>}	H(C[5,6]C[5,6]C[6]N[5])	109.6320	0.000	2	109.6320	0.000	2	109.6320	0.000	2	109.3542	2.933	12	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:4:	4:	C[5,5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]C)(CCHH)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]O[5]O)(C[6]C[6]C)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]C)(CCHH){1|H<1>,1|O<2>,2|C<4>,2|O<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	106.9970	0.000	1	106.9970	0.000	1	106.9970	0.000	1	108.2033	4.999	9	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:4:	4:	C[5,5,6]-4:C[6]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]C)(C[6]C[5,6]C)(C[5]C[5]O)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]O[5])(CH3)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5,6]C[5]C)(C[6]C[5,6]C)(C[5]C[5]O)(H){1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]O[5])(CH3){1|C<3>,1|O<1>,6|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	112.6780	0.000	1	112.6780	0.000	1	112.6780	0.000	1	108.2033	4.999	9	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:4:	4:	C[5,5]-4:N[5,6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]D)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]C)(CHHO)	H(C[5,6]C[5,5]N[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]D)(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]C)(CHHO){1|C<3>,1|D<1>,1|H<1>,1|O<1>,2|C<4>}	H(C[5,6]C[5,5]N[5,6]C[6])	111.1800	0.000	1	111.1800	0.000	1	111.1800	0.000	1	108.2033	4.999	9	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:4:	4:	C[5,6,6]-4:B[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]N[5,6]C)(B[5]C[6a]N[5])(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6,6]B[5]H)(C[6]C[6]H)(CH3)	H(C[5,6]C[5,6,6]B[5]C[6])	C[5,6](C[5,6,6]C[6,6]N[5,6]C)(B[5]C[6a]N[5])(C[6]C[6]C)(H){1|B<3>,1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6,6]B[5]H)(C[6]C[6]H)(CH3){1|N<2>,1|N<3>,2|C<3>,2|C<4>}	H(C[5,6]C[5,6,6]B[5]C[6])	107.8650	0.000	1	107.5623	0.151	3	107.1157	0.898	4	108.2033	4.999	9	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:4:	4:	C[5,6,6]-4:B[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]N[5,6]C)(B[5]C[6a]N[5])(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6,6]B[5]H)(C[6]C[6]H)(CH3)	H(C[5,6]C[5,6,6]B[5]C[6])	C[5,6](C[5,6,6]C[6,6]N[5,6]C)(B[5]C[6a]N[5])(C[6]C[6]C)(H){1|B<3>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6,6]B[5]H)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>,2|N<3>}	H(C[5,6]C[5,6,6]B[5]C[6])	107.4110	0.404	2	107.5623	0.151	3	107.1157	0.898	4	108.2033	4.999	9	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:4:	4:	C[5,6,6]-4:B[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]N[5,5a,6]C[6,6]C)(B[5]N[5,5a]C[6a])(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6,6]B[5]H)(C[6]C[6]H)(CH3)	H(C[5,6]C[5,6,6]B[5]C[6])	C[5,6](C[5,6,6]N[5,5a,6]C[6,6]C)(B[5]N[5,5a]C[6a])(C[6]C[6]C)(H){1|B<3>,1|H<1>,5|C<3>}	C[6](C[5,6]C[5,6,6]B[5]H)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>,2|N<3>}	H(C[5,6]C[5,6,6]B[5]C[6])	105.7760	0.000	1	105.7760	0.000	1	107.1157	0.898	4	108.2033	4.999	9	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:4:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]O)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C)(CHHO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]O)(C[6]C[6]C)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C)(CHHO){1|N<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.7910	0.000	1	106.7910	0.000	1	106.7910	0.000	1	108.2033	4.999	9	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:3:4:	4:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5,6]H)(N[5]C[5,6a]H)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]C)(CC[5a]HH)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6a]C[5,6]H)(N[5]C[5,6a]H)(C[6]C[6]C)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[5,6]C)(CC[5a]HH){1|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	107.7210	0.000	1	107.7210	0.000	1	107.7210	0.000	1	108.2033	4.999	9	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[5,5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6]C[6]O)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6]HH)(O)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6]C[6]O)(N[5]C[5]C)(H){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6]HH)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[5,6]C[5,5,6]C[6]N[5])	108.6020	2.791	3	108.6020	7.787	3	108.9763	5.752	4	110.1462	5.417	16	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[5,5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6]C[6]O)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6]HH)(O)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6]C[6]O)(N[5]C[5]S)(H){1|C<3>,1|C<4>,7|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6]HH)(O){1|H<1>,1|O<2>,1|S<4>,2|C<3>,2|C<4>}	H(C[5,6]C[5,5,6]C[6]N[5])	110.0990	0.000	1	110.0990	0.000	1	108.9763	5.752	4	110.1462	5.417	16	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[5,5,6]-4:N[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]O)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6,6]C[6,6]C[6]H)(O)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]H)(C[6]C[6,6]O)(H){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6,6]C[6,6]C[6]H)(O){2|C<3>,4|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[6]N[5])	106.6180	0.000	1	106.6180	0.000	1	106.6180	0.000	1	110.1462	5.417	16	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[5,5,6]-4:N[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6,6]HH)(O)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]O)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6,6]HH)(O){2|C<3>,5|C<4>}	H(C[5,6]C[5,5,6]C[6]N[5])	110.2460	0.000	1	110.2460	0.000	1	110.2460	0.000	1	110.1462	5.417	16	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[5,6,6]-4:S[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(S[5]C[5,6]O)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6,6]S[5]H)(C[6]C[6]HH)(O)	H(C[5,6]C[5,6,6]C[6]S[5])	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(S[5]C[5,6]O)(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[6](C[5,6]C[5,6,6]S[5]H)(C[6]C[6]HH)(O){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6,6]C[6]S[5])	108.1600	0.000	1	108.1600	0.000	1	108.1600	0.000	1	110.1462	5.417	16	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]N[5,5]O)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]HH)(C[5]N[5,5]O)(C[6]C[6]O)(H){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.7970	0.000	1	112.7970	0.000	1	112.0866	1.604	7	110.1462	5.417	16	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]CC)(C[5]C[5]C)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]CC)(C[5]C[5]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(O){1|C<3>,1|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	111.7010	0.000	1	111.7010	0.000	1	112.0866	1.604	7	110.1462	5.417	16	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]C)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.5905	0.029	2	112.6885	0.019	4	112.0866	1.604	7	110.1462	5.417	16	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]C)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]C)(C[6]C[6]O)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.7865	0.128	2	112.6885	0.019	4	112.0866	1.604	7	110.1462	5.417	16	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]N[5]C)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CH)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]N[5]C)(C[6]C[6]O)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CH)(O){1|H<1>,1|N<2>,1|O<2>,2|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	109.3540	0.000	1	109.3540	0.000	1	112.0866	1.604	7	110.1462	5.417	16	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]O)(C[5]O[5]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]C[5]H)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]O)(C[5]O[5]O)(H){1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]C[5]H)(O){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.4025	0.231	2	108.4025	0.053	2	108.4025	0.053	2	110.1462	5.417	16	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:4:2:	4:	C[5,6,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:C[6]-4:N-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[5,6]HH)(NO)	H(C[5,6]C[5,6,6]C[6]N[5])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]C)(H){1|C<3>,1|N<3>,2|C<4>,8|H<1>}	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[5,6]HH)(NO){2|O<2>,5|C<4>}	H(C[5,6]C[5,6,6]C[6]N[5])	108.4390	0.000	1	108.4390	0.000	1	108.4390	0.000	1	110.5100	8.578	2	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:4:2:	4:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:C[6]-4:N-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]N)(N[5]C[5]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(NO)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]N)(N[5]C[5]S)(H){1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(NO){1|S<4>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[6]N[5])	112.5810	0.000	1	112.5810	0.000	1	112.5810	0.000	1	110.5100	8.578	2	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:4:3:	4:	C[5,5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]C)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(CCC)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]C)(N[5]C[5]C)(H){1|N<3>,3|C<3>,6|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(CCC){3|C<3>,3|C<4>}	H(C[5,6]C[5,5,6]C[6]N[5])	108.2150	0.000	1	108.2150	0.000	1	108.2795	0.008	2	108.0310	0.143	4	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:4:3:	4:	C[5,5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]C)(N[5]C[5]C)(H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(CCH)	H(C[5,6]C[5,5,6]C[6]N[5])	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]C)(N[5]C[5]C)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(CCH){1|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6]C[6]N[5])	108.3440	0.000	1	108.3440	0.000	1	108.2795	0.008	2	108.0310	0.143	4	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:4:3:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CHH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]H)(C[6]C[6]C)(H){4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CHH){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.4890	0.000	1	107.4890	0.000	1	107.4890	0.000	1	108.0310	0.143	4	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:3:1:	4:4:3:	4:	C[5,6]-4:C[5]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]2)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]C)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]2)(H){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]C){2|H<1>,3|C<4>,6|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.0760	0.000	1	108.0760	0.000	1	108.0760	0.000	1	108.0310	0.143	4	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5a,6]-3:C[5,6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]O)(C[5]N[5]HH)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]C[5]H)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]O)(C[5]N[5]HH)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]C[5]H)(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.2990	0.000	1	110.2990	0.000	1	110.2990	0.000	1	108.3738	1.851	19	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[6,6]-3:C[5,6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]H)(C[5]O[5]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[5,6]C[5,6]C[5]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]H)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[5,6]C[5,6]C[5]H)(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9360	0.752	3	107.9360	0.566	3	107.9360	0.566	3	108.3738	1.851	19	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH)(H){1|C<4>,2|C<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O){2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.1620	0.000	1	109.1620	0.000	1	108.3331	1.991	15	108.3738	1.851	19	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]O[5]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]O[5]CH)(H){1|S<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.6160	0.000	1	109.6160	0.000	1	108.3331	1.991	15	108.3738	1.851	19	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]O[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.1335	3.120	2	107.0663	7.479	3	108.3331	1.991	15	108.3738	1.851	19	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]O[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]O[5]HH)(H){1|S<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.9320	0.000	1	107.0663	7.479	3	108.3331	1.991	15	108.3738	1.851	19	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6a]O)(C[5]C[5]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[6,6a]O)(C[5]C[5]CH)(H){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	109.4835	0.168	2	109.4835	0.028	2	108.3331	1.991	15	108.3738	1.851	19	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]C[5]HO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]C[5]HO)(H){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O){2|C<3>,2|C<4>,2|H<1>,3|O<2>}	H(C[5,6]C[5,6]C[5]C[6])	108.4302	0.555	6	108.2413	0.506	7	108.3331	1.991	15	108.3738	1.851	19	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]C[5]HO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]C[5]HO)(H){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.1080	0.000	1	108.2413	0.506	7	108.3331	1.991	15	108.3738	1.851	19	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:4:1:	3:4:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]O[5]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]O[5]CH)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3630	0.000	1	108.3630	0.000	1	108.3331	1.991	15	108.3738	1.851	19	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]H)(C[5]N[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]S[5])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]H)(C[5]N[5]HH)(H){1|C<4>,1|O<1>,1|S<2>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]S[5])(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3300	0.000	1	108.3300	0.000	1	108.3300	0.000	1	108.2026	3.299	11	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:Br-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]Br)(C[5]O[5]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(Br)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]Br)(C[5]O[5]CH)(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(Br){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0670	0.000	1	108.0670	0.000	1	108.0670	0.000	1	108.2026	3.299	11	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]H)(C[5]O[5]CC)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]H)(C[5]O[5]CC)(H){1|C<3>,1|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H){2|O<2>,3|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.0150	0.000	1	107.0150	0.000	1	108.2920	3.261	2	108.2026	3.299	11	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]H)(C[5]C[5]CO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6,6]H)(C[5]C[5]CO)(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H){1|C<3>,2|H<1>,2|O<2>,6|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	109.5690	0.000	1	109.5690	0.000	1	108.2920	3.261	2	108.2026	3.299	11	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]O)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6]O)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(O){2|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.0810	0.000	1	112.0810	0.000	1	112.0810	0.000	1	108.2026	3.299	11	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:N[6,6]-3:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]O)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6,6]O)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O){4|C<4>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	104.9950	0.000	1	104.9950	0.000	1	107.5278	2.382	6	108.2026	3.299	11	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:N[6,6]-3:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]O)(C[5]C[5]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]O)(C[5]C[5]CH)(H){4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O){5|H<1>,6|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.9400	0.000	2	106.9400	0.000	2	107.5278	2.382	6	108.2026	3.299	11	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:4:1:	4:3:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:N[6,6]-3:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[6]N[6,6]O)(C[5]O[5]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[6]N[6,6]O)(C[5]O[5]CH)(H){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(O){1|C<3>,1|N<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.7640	0.330	3	108.7640	0.109	3	107.5278	2.382	6	108.2026	3.299	11	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:4:1:	4:3:3:	4:	C[5,5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6a]C[6])(C[5]C[5]HH)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,3|C<3>,7|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	108.3650	0.000	1	108.3650	0.000	1	108.3650	0.000	1	107.6160	1.842	4	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:4:1:	4:3:3:	4:	C[5,6,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6a]C[6])(C[5]N[5]HH)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6a]C[6])(C[5]N[5]HH)(H){1|S<4>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6a]C[6])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|C<4>,4|C<3>,5|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.4520	0.000	1	108.4520	0.000	1	108.4520	0.000	1	107.6160	1.842	4	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-3:C[6a]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]N[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]N[5]HH)(H){1|S<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|C<4>,4|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.5970	0.000	1	105.5970	0.000	1	105.5970	0.000	1	107.6160	1.842	4	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,3|C<3>,7|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0500	0.000	1	108.0500	0.000	1	108.0500	0.000	1	107.6160	1.842	4	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[5,5,6]-4:C[6]-3:C[5]-4:H-1:	C[4,6]-4:C[5,6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[4,6]O)(C[5]C[5]CO)(H)	C[6](C[4,6]C[4,4,6]C[4]H)(C[5,6]C[5,5,6]C[5]H)(O)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[4,6]O)(C[5]C[5]CO)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[4,6]C[4,4,6]C[4]H)(C[5,6]C[5,5,6]C[5]H)(O){1|O<2>,3|H<1>,6|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.7110	0.000	1	107.7110	0.000	1	107.4940	0.037	3	108.1369	0.565	9	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[5,5,6]-4:C[6]-3:C[5]-4:H-1:	C[4,6]-4:C[5,6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[4,6]O)(C[5]C[5]CO)(H)	C[6](C[4,6]C[4,5,6]C[4]H)(C[5,6]C[5,5,6]C[5]H)(O)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[4,6]O)(C[5]C[5]CO)(H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[4,6]C[4,5,6]C[4]H)(C[5,6]C[5,5,6]C[5]H)(O){1|O<2>,3|H<1>,6|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.3855	0.056	2	107.3855	0.003	2	107.4940	0.037	3	108.1369	0.565	9	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[5,6,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[5,6]O)(C[5]C[5]CH)(H)	C[6](C[5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5,6,6]C[5]H)(O)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[5,6]O)(C[5]C[5]CH)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5,6,6]C[5]H)(O){1|C<3>,1|N<3>,4|H<1>,7|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.5020	0.000	1	109.5020	0.000	1	109.5020	0.000	1	108.1369	0.565	9	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)(C[5]C[5]CH)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]C[5]C)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)(C[5]C[5]CH)(H){1|O<2>,4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]C[5]C)(O){4|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.8710	0.000	1	107.8710	0.000	1	107.8380	0.004	3	108.1369	0.565	9	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]O)(C[5]C[5]HH)(H)	C[6](C[5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[5]H)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]O)(C[5]C[5]HH)(H){4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[5]H)(O){1|O<2>,5|H<1>,8|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.8215	0.076	2	107.8215	0.006	2	107.8380	0.004	3	108.1369	0.565	9	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:3:4:1:	4:4:1:	4:	C[5,6]-4:C[6]-3:N[5]-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]O)(N[5]C[5]CC)(H)	C[6](C[5,5,6]C[5,5,6]N[5]O[5])(C[5,6]C[5,6]N[5]H)(O)	H(C[5,6]C[5,6]C[6]N[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]O)(N[5]C[5]CC)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,5,6]C[5,5,6]N[5]O[5])(C[5,6]C[5,6]N[5]H)(O){2|H<1>,3|C<3>,6|C<4>}	H(C[5,6]C[5,6]C[6]N[5])	108.8670	0.000	2	108.8670	0.000	2	108.8670	0.000	2	108.1369	0.565	9	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	3:4:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5,6]C[6,6a]C[5,6]O)(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6,6]C[5,6]H)(O)	H(C[5,6]C[5,6,6]C[5,6]C[6])	C[5,6](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5,6]C[6,6a]C[5,6]O)(C[6]C[6,6a]O)(H){2|O<2>,4|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6,6]C[5,6]H)(O){1|H<1>,2|O<2>,3|C<3>,3|C<4>}	H(C[5,6]C[5,6,6]C[5,6]C[6])	107.7540	0.184	2	107.7540	0.034	2	107.7540	0.034	2	107.6257	5.235	6	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	3:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(O)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HO)(C[6]C[6,6a]O)(H){4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(O){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]2C[6])	111.3200	0.000	1	111.3200	0.000	1	108.3717	9.107	3	107.6257	5.235	6	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	3:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5,6]C[5,6,6]HO)(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5,6]2H)(O)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[6,6a]C[5,6]O)(C[5,6]C[5,6,6]HO)(C[6]C[6,6a]O)(H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5,6]2H)(O){1|H<1>,2|O<2>,3|C<3>,3|C<4>}	H(C[5,6]C[5,6]2C[6])	106.8975	2.275	2	106.8975	5.175	2	108.3717	9.107	3	107.6257	5.235	6	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	3:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5,6]HH)(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[3,5,6]C[6]C)(C[5]C[3,5,6]HH)(C[6]C[6,6a]O)(H){1|O<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(O){3|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.1310	0.000	1	105.1310	0.000	1	105.1310	0.000	1	107.6257	5.235	6	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	3:4:3:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6,6a]C)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(COO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HH)(C[6]C[6,6a]C)(H){5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(COO){3|H<1>,6|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.5390	0.000	1	107.5390	0.000	1	107.5390	0.000	1	107.5390	0.000	1	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	3:4:4:	4:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-3:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]2H)(CH3)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]C)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]2H)(CH3){2|C<3>,3|H<1>,6|C<4>}	H(C[5,6]C[5,6]2C[6])	107.2348	0.704	4	107.2348	0.496	4	107.2348	0.496	4	107.2348	0.496	4	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[5,5,3x6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:	C[5,6](C[5,5,3x6]C[5,3x6]C[5,4x6]C[5,6a])(C[5]N[5,6]HH)(C[6]O[6]O)(H)	C[6](C[5,6]C[5,5,3x6]C[5]H)(O[6]C[3x6])(O)	H(C[5,6]C[5,5,3x6]C[5]C[6])	C[5,6](C[5,5,3x6]C[5,3x6]C[5,4x6]C[5,6a])(C[5]N[5,6]HH)(C[6]O[6]O)(H){1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[6](C[5,6]C[5,5,3x6]C[5]H)(O[6]C[3x6])(O){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,3x6]C[5]C[6])	107.0810	0.000	1	107.0810	0.000	1	107.0810	0.000	1	108.2700	1.180	32	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6]C[5,5]C[5,6]H)(C[6]O[6]O)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(O[6]C[5,6])(O)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6]C[5,5]C[5,6]H)(C[6]O[6]O)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,5]C[5,6]H)(O[6]C[5,6])(O){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5]C[5,6]C[6])	104.3270	0.000	1	104.3270	0.000	1	105.8860	4.861	2	108.2700	1.180	32	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:	C[5,6](C[5,5]N[5,5]C[5]2)(C[5,6]C[5,5]C[6]H)(C[6]O[6]O)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(O[6]C[6])(O)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]N[5,5]C[5]2)(C[5,6]C[5,5]C[6]H)(C[6]O[6]O)(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[6](C[5,6]C[5,5]C[5,6]H)(O[6]C[6])(O){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5]C[5,6]C[6])	107.4450	0.000	1	107.4450	0.000	1	105.8860	4.861	2	108.2700	1.180	32	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]C)(C[5,6]C[5,6,6]C[6]H)(C[6]O[6]O)(H)	C[6](C[5,6]C[5,6,6]C[5,6]H)(O[6]C[6,6])(O)	H(C[5,6]C[5,6,6]C[5,6]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[6,6]C)(C[5,6]C[5,6,6]C[6]H)(C[6]O[6]O)(H){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[5,6]C[5,6,6]C[5,6]H)(O[6]C[6,6])(O){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[5,6]C[5,6,6]C[5,6]C[6])	109.7630	0.000	1	109.7630	0.000	1	109.7630	0.000	1	108.2700	1.180	32	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[5,6]-4:C[5,5]-4:C[6]-3:H-1:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]O[6]O)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(O[6]C[6,6a])(O)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]N[5,5]C[5]H)(C[6]O[6]O)(H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,5]C[5,6]H)(O[6]C[6,6a])(O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	108.1125	0.449	2	108.1125	0.202	2	108.1125	0.202	2	108.2700	1.180	32	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]O[6]O)(H)	C[6](C[5,6]C[5,6]2H)(O[6]C[6])(O)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]N[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]O[6]O)(H){3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]2H)(O[6]C[6])(O){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]2C[6])	108.6600	0.000	1	108.6600	0.000	1	108.6600	0.000	1	108.2700	1.180	32	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]O[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6])(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]HH)(C[6]O[6]O)(H){1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6])(O){3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.2300	0.000	1	109.2300	0.000	1	108.4185	0.657	24	108.2700	1.180	32	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]O[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]O[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O){1|O<1>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.7580	0.677	3	107.7580	0.458	3	108.4185	0.657	24	108.2700	1.180	32	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]CH)(C[6]O[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]CH)(C[6]O[6]O)(H){1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O){1|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.6155	0.301	2	109.3473	0.261	3	108.4185	0.657	24	108.2700	1.180	32	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]CH)(C[6]O[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]CH)(C[6]O[6]O)(H){1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O){2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.8110	0.000	1	109.3473	0.261	3	108.4185	0.657	24	108.2700	1.180	32	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C[5]H)(C[6]O[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]C[5]H)(C[6]O[6]O)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O){1|C<4>,2|H<1>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.4635	0.354	2	108.4635	0.126	2	108.4185	0.657	24	108.2700	1.180	32	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]O[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]O[6]O)(H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O){4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.9460	0.000	1	106.9460	0.000	1	108.4185	0.657	24	108.2700	1.180	32	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]O[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]O[6]O)(H){1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.7500	0.000	1	107.7500	0.000	1	108.4185	0.657	24	108.2700	1.180	32	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(H){3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O){2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.9175	0.312	2	108.0217	1.108	4	108.4185	0.657	24	108.2700	1.180	32	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(H){3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O){2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.1260	0.132	2	108.0217	1.108	4	108.4185	0.657	24	108.2700	1.180	32	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]O)(H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.8220	0.000	1	108.8243	0.000	3	108.4185	0.657	24	108.2700	1.180	32	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]O)(H){1|H<1>,6|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.8255	0.030	2	108.8243	0.000	3	108.4185	0.657	24	108.2700	1.180	32	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[6a]N[5])(C[5]C[5]CH)(C[6]O[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[6a]N[5])(C[5]C[5]CH)(C[6]O[6]O)(H){2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(O){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.5600	0.000	1	108.5750	0.000	2	108.4185	0.657	24	108.2700	1.180	32	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[6a]N[5])(C[5]C[5]CH)(C[6]O[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[6a]N[5])(C[5]C[5]CH)(C[6]O[6]O)(H){3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(O){1|H<1>,1|N<4>,2|C<4>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.5900	0.000	1	108.5750	0.000	2	108.4185	0.657	24	108.2700	1.180	32	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)(H){1|H<1>,6|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.8450	0.000	1	108.8450	0.000	1	108.4185	0.657	24	108.2700	1.180	32	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]C)(C[5]N[5]CH)(C[6]O[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]C)(C[5]N[5]CH)(C[6]O[6]O)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O){1|N<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.9715	0.022	2	108.9715	0.000	2	108.4185	0.657	24	108.2700	1.180	32	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[6]-2:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.3780	0.000	1	107.3780	0.000	1	108.4185	0.657	24	108.2700	1.180	32	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:2:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[6]-2:S-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]S)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(S)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]N[5]H)(C[6]O[6]S)(H){1|H<1>,6|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(S){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.0940	0.000	1	109.0940	0.000	1	109.0940	0.000	1	108.2700	1.180	32	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:2:3:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:O[6]-2:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]N[5,5a]HH)(C[6]O[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CCH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]N[5,5a]HH)(C[6]O[6]C)(H){1|C<2>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CCH){1|N<3>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9570	0.000	1	107.9570	0.000	1	107.9570	0.000	1	107.9570	0.000	1	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[3,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,6]2C[5])(C[5]C[5]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[3,5,6]C[5]C[6])	C[5,6](C[3,5,6]C[3,6]2C[5])(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<4>,3|O<2>,5|H<1>}	C[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6]H)(H){1|C<2>,3|H<1>,4|C<4>}	H(C[5,6]C[3,5,6]C[5]C[6])	108.0670	0.072	2	108.0670	0.005	2	108.0670	0.005	2	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[3x5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]O[5]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[3x5,6]C[5]C[6])	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]O[5]HH)(C[6]C[6]H)(H){2|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[3x5,6]C[5]C[6])	105.1610	0.000	1	105.1610	0.000	1	105.1610	0.000	1	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[3x5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[3x5]C[3x5]N[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[3x5]C[5,6]H)(C[6]C[6]C)(H)	H(C[5,6]C[3x5]C[5,6]C[6])	C[5,6](C[3x5]C[3x5]N[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|H<1>,1|S<4>,4|C<3>,6|C<4>}	C[6](C[5,6]C[3x5]C[5,6]H)(C[6]C[6]C)(H){2|N<3>,3|C<4>,3|H<1>}	H(C[5,6]C[3x5]C[5,6]C[6])	109.6090	0.000	1	109.0613	0.576	3	109.3520	0.446	5	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[3x5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[3x5]C[3x5]N[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[3x5]C[5,6]H)(C[6]C[6]C)(H)	H(C[5,6]C[3x5]C[5,6]C[6])	C[5,6](C[3x5]C[3x5]N[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){2|H<1>,4|C<3>,6|C<4>}	C[6](C[5,6]C[3x5]C[5,6]H)(C[6]C[6]C)(H){2|N<3>,3|C<4>,3|H<1>}	H(C[5,6]C[3x5]C[5,6]C[6])	108.7875	0.838	2	109.0613	0.576	3	109.3520	0.446	5	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[3x5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[3x5]C[3x5]N[5]O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[3x5]C[5,6]H)(C[6]C[6]C)(H)	H(C[5,6]C[3x5]C[5,6]C[6])	C[5,6](C[3x5]C[3x5]N[5]O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|H<1>,1|S<4>,3|C<3>,6|C<4>}	C[6](C[5,6]C[3x5]C[5,6]H)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[3x5]C[5,6]C[6])	109.7920	0.000	1	109.7880	0.000	2	109.3520	0.446	5	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[3x5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[3x5]C[3x5]N[5]O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[3x5]C[5,6]H)(C[6]C[6]C)(H)	H(C[5,6]C[3x5]C[5,6]C[6])	C[5,6](C[3x5]C[3x5]N[5]O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|H<1>,1|S<4>,4|C<3>,5|C<4>}	C[6](C[5,6]C[3x5]C[5,6]H)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[3x5]C[5,6]C[6])	109.7840	0.000	1	109.7880	0.000	2	109.3520	0.446	5	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,3x6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:	C[5,6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,3x6]C[5]H)(C[6]C[6]H)(O)	H(C[5,6]C[5,3x6]C[5]C[6])	C[5,6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|C<3>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,3x6]C[5]H)(C[6]C[6]H)(O){3|H<1>,4|C<4>}	H(C[5,6]C[5,3x6]C[5]C[6])	107.5250	0.000	1	107.5250	0.000	1	107.5250	0.000	1	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[6]O[5]H)(C[6]C[6,6]H)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6,6]C[6,6]C[6])(H)	H(C[5,6]C[5,5,6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6]C[6]O[5]H)(C[6]C[6,6]H)(H){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6,6]C[6,6]C[6])(H){1|C<3>,1|O<2>,2|H<1>,7|C<4>}	H(C[5,6]C[5,5,6]C[5,6]C[6])	109.3650	0.000	1	109.3650	0.000	1	109.3650	0.000	1	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]2H)(C[5,6]C[6,6a]O[5]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6,6a]H)(H)	H(C[5,6]C[5,5,6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,5,6]2H)(C[5,6]C[6,6a]O[5]H)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6,6a]H)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6])	108.5960	0.000	1	108.5960	0.000	1	107.9700	0.784	2	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,5,6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5,6]C[5,6]C[6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|O<1>,4|C<4>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(H){2|H<1>,3|C<3>,3|C<4>}	H(C[5,6]C[5,5,6]C[5,6]C[6])	107.3440	0.000	1	107.3440	0.000	1	107.9700	0.784	2	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[6,6a]O[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(O)	H(C[5,6]C[5,5,6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6]C[6,6a]O[5,6]H)(C[6]C[6]O)(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6])	110.2400	0.000	1	110.2400	0.000	1	110.2400	0.000	1	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]O[5]O)(C[5]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5,6,6]O[5]O)(C[5]C[5,6]HH)(C[6]C[6]H)(H){2|H<1>,4|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H){2|C<4>,3|H<1>,3|O<2>}	H(C[5,6]C[5,5,6]C[5]C[6])	113.1320	0.000	1	113.1320	0.000	1	109.7390	10.724	3	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5]C[5]HH)(C[6]C[6]H)(H){1|O<1>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	106.5970	0.000	1	106.5970	0.000	1	109.7390	10.724	3	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5]C[5]CC)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5]C[5]CC)(C[6]C[6]H)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<2>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	109.4880	0.000	1	109.4880	0.000	1	109.7390	10.724	3	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CO)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]C)(O)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CO)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]C)(O){1|H<1>,1|O<2>,5|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.9370	0.000	1	107.9370	0.000	1	107.7300	0.086	2	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(O)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]O)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(O){1|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.5230	0.000	1	107.5230	0.000	1	107.7300	0.086	2	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[6,6a]C[5])(C[5]C[5,5,6]HH)(C[6]N[6]O)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6,6a]H)(O)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[3x5,6]C[6,6a]C[5])(C[5]C[5,5,6]HH)(C[6]N[6]O)(H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6,6a]H)(O){2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	108.5155	0.049	2	108.5155	0.002	2	107.1875	1.842	6	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6,6a]H)(O)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6,6a]H)(O){2|C<4>,2|H<1>,3|C<3>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.2680	0.409	2	106.5235	1.305	4	107.1875	1.842	6	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6,6a]H)(O)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6,6a]H)(O){2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	105.7790	1.237	2	106.5235	1.305	4	107.1875	1.842	6	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[3x5]C[5]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6,6]H)(H)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[3x5]C[5]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6,6]H)(H){1|C<3>,2|H<1>,5|C<4>}	H(C[5,6]C[5,5]C[5,6]C[6])	107.6760	0.000	1	107.7327	0.006	3	109.0337	1.415	9	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[3x5]C[5]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6,6]H)(H)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[3x5]C[5]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6,6]H)(H){1|C<3>,2|H<1>,5|C<4>}	H(C[5,6]C[5,5]C[5,6]C[6])	107.7610	0.086	2	107.7327	0.006	3	109.0337	1.415	9	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6,6]H)(H)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6,6]H)(H){1|C<3>,2|H<1>,5|C<4>}	H(C[5,6]C[5,5]C[5,6]C[6])	107.9860	0.000	1	107.9860	0.000	1	109.0337	1.415	9	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]N[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]C)(H)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5]N[5]O)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|H<1>,1|S<4>,3|C<3>,5|C<4>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	110.0030	0.000	1	110.0030	0.000	1	109.0337	1.415	9	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	110.0290	0.276	4	110.0290	0.076	4	109.0337	1.415	9	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]O[5]O)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[5,6]C)(O)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]O[5]O)(C[6]C[6]O)(H){1|N<3>,2|C<4>,2|O<2>,3|C<3>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[5,6]C)(O){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,5]C[5,6]C[6])	106.4040	0.000	1	106.4040	0.000	1	105.6110	1.258	2	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]C)(O)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]C)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	104.8180	0.000	1	104.8180	0.000	1	105.6110	1.258	2	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[5,5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]C[6]C)(H)	H(C[5,6]C[5,6,6]C[5,5]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]H)(H){1|N<2>,1|O<2>,2|H<1>,2|O<1>,6|C<4>}	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]C[6]C)(H){2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[5,5]C[6])	105.8830	0.000	1	105.8830	0.000	1	105.8830	0.000	1	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6,6]C[5,6]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]O[6]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5,6]C[6])	106.0270	0.000	1	106.0270	0.000	1	106.0270	0.000	1	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(H){1|O<2>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	107.3280	0.000	1	107.3280	0.000	1	108.1541	0.658	8	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(H){1|Si<4>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.1760	0.000	1	109.1760	0.000	1	108.1541	0.658	8	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]N[6,6]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]N[6,6]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(H){1|N<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	107.9385	0.005	2	107.9385	0.000	2	108.1541	0.658	8	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.1980	0.000	1	108.1980	0.000	1	108.1541	0.658	8	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]O)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]O)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.4250	0.000	1	108.4250	0.000	1	108.1541	0.658	8	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[5]CH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[5]CH)(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	106.9510	0.000	1	106.9510	0.000	1	108.1541	0.658	8	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]N[5,6,6]C[6]N[6])(C[5]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]N[5,6,6]C[6]N[6])(C[5]C[5,6]HH)(C[6]C[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(H){2|C<3>,2|N<3>,3|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.2780	0.000	1	109.2780	0.000	1	108.1541	0.658	8	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:I-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(C[6]C[6]I)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]H)(I)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(C[6]C[6]I)(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]H)(I){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	114.2390	2.157	2	113.6787	3.268	3	113.6787	3.268	3	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:I-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(C[6]C[6]I)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]H)(I)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[6]O)(C[5]C[5]HH)(C[6]C[6]I)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]H)(I){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	112.5580	0.000	1	113.6787	3.268	3	113.6787	3.268	3	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6,6]-4:Si[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]Si[5,6]C[6,6]C)(Si[5]O[5]CC)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]Si[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6,6]Si[5]C[6])	C[5,6](C[5,6,6]Si[5,6]C[6,6]C)(Si[5]O[5]CC)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[6](C[5,6]C[5,6,6]Si[5]H)(C[6]C[6]H)(H){1|Si<4>,1|C<3>,1|O<2>,4|C<4>}	H(C[5,6]C[5,6,6]Si[5]C[6])	107.6050	0.000	1	107.6050	0.000	1	107.6050	0.000	1	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]H)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]H)(H){1|C<3>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6]2C[6])	107.9180	0.000	1	107.9180	0.000	1	107.7697	0.071	3	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(H){1|C<3>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]2C[6])	107.9280	0.000	1	107.9280	0.000	1	107.7697	0.071	3	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]2C[6])	107.4630	0.000	1	107.4630	0.000	1	107.7697	0.071	3	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<3>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]C)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	109.8840	0.098	2	109.4407	0.594	3	108.3281	1.603	48	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<3>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]C)(H){4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.5540	0.000	1	109.4407	0.594	3	108.3281	1.603	48	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[4,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|O<2>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]H)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0690	0.000	1	108.0690	0.000	1	108.3281	1.603	48	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]H)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9230	0.000	1	107.9230	0.000	1	108.3281	1.603	48	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]H)(H){4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1870	0.000	1	108.1870	0.000	1	108.3281	1.603	48	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[6a]N[5]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[6a]N[5]H)(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.2690	0.000	1	107.2690	0.000	1	108.3281	1.603	48	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<2>,1|N<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9285	0.244	2	107.5190	1.130	4	108.3281	1.603	48	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.1095	1.631	2	107.5190	1.130	4	108.3281	1.603	48	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.9750	0.195	2	106.9750	0.038	2	108.3281	1.603	48	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.7460	0.000	1	107.3945	0.247	2	108.3281	1.603	48	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<4>,2|C<3>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.0430	0.000	1	107.3945	0.247	2	108.3281	1.603	48	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6])(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6])(H){2|C<4>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.6055	1.125	2	108.6055	1.266	2	108.3281	1.603	48	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]C)(H){1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.2800	0.337	2	110.2800	0.113	2	108.3281	1.603	48	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Br)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Br)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.5100	0.000	1	107.5100	0.000	1	108.3281	1.603	48	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H){1|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.2970	0.000	1	106.2970	0.000	1	108.3281	1.603	48	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.3960	0.000	1	110.3960	0.000	1	108.3281	1.603	48	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.0500	0.000	1	109.0500	0.000	1	108.3281	1.603	48	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.8570	0.602	2	108.8400	2.473	4	108.3281	1.603	48	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.6150	0.000	1	108.8400	2.473	4	108.3281	1.603	48	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]H)(H){1|S<4>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|N<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.0310	0.000	1	108.8400	2.473	4	108.3281	1.603	48	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Br)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Br)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.4310	0.000	1	108.4310	0.000	1	108.3281	1.603	48	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.5985	1.580	4	107.7902	1.636	6	108.3281	1.603	48	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.5260	0.000	1	107.7902	1.636	6	108.3281	1.603	48	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8210	0.000	1	107.7902	1.636	6	108.3281	1.603	48	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]O)(C[5]O[5]CH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]O)(C[5]O[5]CH)(C[6]C[6]H)(H){1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.8090	0.000	1	108.8090	0.000	1	108.3281	1.603	48	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]O[5]CH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]O[5]CH)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.1665	0.350	2	108.1665	0.123	2	108.3281	1.603	48	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]O[5]HH)(C[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.9570	0.000	1	110.9570	0.000	1	108.3281	1.603	48	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1700	0.000	1	108.1700	0.000	1	108.3281	1.603	48	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]2O[5])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]2O[5])(C[6]C[6]H)(H){1|H<1>,1|O<2>,7|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]H)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	107.6510	0.000	1	107.6510	0.000	1	108.3281	1.603	48	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]O[5]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[6a]O[5]H)(C[6]C[6]H)(H){2|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]H)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	110.0070	0.083	2	110.0070	0.007	2	108.3281	1.603	48	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]H)(H){1|N<3>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.4920	0.000	1	109.4920	0.000	1	108.3281	1.603	48	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]S)(C[5]C[5]Cl2)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5]S)(C[5]C[5]Cl2)(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|S<4>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]H)(H){2|Cl<1>,1|N<3>,1|S<2>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	106.9670	0.000	1	106.9670	0.000	1	108.3281	1.603	48	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.1340	0.000	1	107.3935	0.135	2	108.3281	1.603	48	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|S<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.6530	0.000	1	107.3935	0.135	2	108.3281	1.603	48	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H){1|N<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.2980	0.000	1	107.2980	0.000	1	108.3281	1.603	48	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]P[5]H)(C[5]C[6a]N[5]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]P[5]H)(C[5]C[6a]N[5]H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|N<3>,1|P<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.1320	0.000	1	109.1320	0.000	1	108.3281	1.603	48	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5]CH)(C[6]C[6]O)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(O){3|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	111.8783	0.175	3	111.8783	0.030	3	109.4311	5.002	10	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6]O)(H){1|O<2>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.6060	0.000	1	107.6060	0.000	1	109.4311	5.002	10	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]O)(H){2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(O){1|S<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.1940	0.000	1	112.1940	0.000	1	109.4311	5.002	10	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)(H){3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O){1|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9485	0.016	2	107.9485	0.000	2	109.4311	5.002	10	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HH)(C[6]C[6]O)(H){1|O<2>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O){1|N<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1980	0.000	1	108.1980	0.000	1	109.4311	5.002	10	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(C[6]C[6]O)(H){2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.3340	0.000	1	108.3340	0.000	1	109.4311	5.002	10	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]O)(H){1|O<2>,1|S<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O){1|N<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.4470	0.000	1	106.4470	0.000	1	109.4311	5.002	10	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[5,6]-3:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[5,6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]HH)(C[6]N[5,6]O)(H){2|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(N[5,6]C[5,6]C[5])(O){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8750	0.000	1	107.8750	0.000	1	107.8750	0.000	1	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]N[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6a]C[6])(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]N[6]O)(H){1|Si<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6a]C[6])(O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.5335	0.341	4	111.4633	0.083	6	110.3380	1.564	12	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]N[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6a]C[6])(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]N[6]O)(H){2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6a]C[6])(O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.3230	0.089	2	111.4633	0.083	6	110.3380	1.564	12	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]N[5]H)(C[6]N[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]H)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]N[5]H)(C[6]N[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.5050	0.000	1	108.5050	0.000	1	110.3380	1.564	12	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]N[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(O){1|O<1>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.1640	0.000	1	109.1640	0.000	1	110.3380	1.564	12	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(O){2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.3300	0.000	1	109.3300	0.000	1	110.3380	1.564	12	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]N[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(O){1|N<3>,3|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.0840	0.000	1	110.0840	0.000	1	110.3380	1.564	12	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]N[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]N[6]O)(H){2|H<1>,6|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	108.7160	0.000	1	108.7160	0.000	1	110.3380	1.564	12	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]N[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]S)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]N[6]O)(H){1|H<1>,1|S<4>,6|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]S)(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[5,6]C[5,6]C[5]C[6])	109.4770	0.000	1	109.4770	0.000	1	110.3380	1.564	12	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:P[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(P[5]C[6a]N[5]O)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]P[5]H)(C[6]C[6]H)(H)	H(C[5,6]C[5,6]C[6]P[5])	C[5,6](C[5,6]C[5]C[6]H)(P[5]C[6a]N[5]O)(C[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]P[5]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[5,6]C[5,6]C[6]P[5])	110.9610	0.000	1	110.9610	0.000	1	110.9610	0.000	1	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5,6]-4:S[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(S[5]C[5]OO)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]H)(O)	H(C[5,6]C[5,6]C[6]S[5])	C[5,6](C[5,6]C[5]C[6]H)(S[5]C[5]OO)(C[6]C[6]O)(H){1|C<3>,7|H<1>}	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]H)(O){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	H(C[5,6]C[5,6]C[6]S[5])	108.5060	0.000	1	108.5060	0.000	1	108.5060	0.000	1	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	C[5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](C[5]C[5,5]C[6a]H)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5]C[5,5]C[6a]H)(C[5,6]C[5]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H){2|C<3>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9460	0.000	1	107.9460	0.000	1	107.9460	0.000	1	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:1:	4:	N[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[5a]C[6])(H)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[5a]C[6])(H){1|C<3>,1|S<2>,2|C<4>,6|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.8090	0.000	1	111.8090	0.000	1	111.8090	0.000	1	108.7068	3.256	127	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:2:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-3:O-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6]C[6,6]C[6])(C[5,6]C[5,5,6]HO)(C[6]C[6,6]O)(H)	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6,6]C[5,6,6]C[6])(OH)	H(C[5,6]C[5,6,6]C[5,6]C[6])	C[5,6](C[5,6,6]C[5,5,6]C[6,6]C[6])(C[5,6]C[5,5,6]HO)(C[6]C[6,6]O)(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6,6]C[5,6,6]C[6])(OH){1|H<1>,1|O<1>,1|O<2>,3|C<4>,4|C<3>}	H(C[5,6]C[5,6,6]C[5,6]C[6])	111.3425	0.117	2	111.3425	0.014	2	111.3425	0.014	2	110.3777	3.766	7	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:2:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)(OC)	H(C[5,6]C[5,6,6]C[5,6]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|O<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)(OC){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(C[5,6]C[5,6,6]C[5,6]C[6])	111.7070	0.000	1	111.7070	0.000	1	111.7070	0.000	1	110.3777	3.766	7	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:2:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OC)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]H)(C[6]C[6]O)(H){1|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OC){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.4370	0.000	1	111.4370	0.000	1	108.8533	5.127	3	110.3777	3.766	7	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:2:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(OH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(OH){1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.2140	0.000	1	107.2140	0.000	1	108.8533	5.127	3	110.3777	3.766	7	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:2:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(OC)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(OC){1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.9090	0.000	1	107.9090	0.000	1	108.8533	5.127	3	110.3777	3.766	7	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:2:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:S-2:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]S)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(SC[6a])	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]S)(H){2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(SC[6a]){1|O<1>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.6920	0.000	1	111.6920	0.000	1	111.6920	0.000	1	110.3777	3.766	7	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5,6]C[5,5,6]HH)(C[6]C[6]2)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(C[6]N[6]H)	H(C[5,6]C[5,5,6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5,6]C[5,5,6]HH)(C[6]C[6]2)(H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(C[6]N[6]H){1|C<2>,1|N<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6])	107.7600	0.000	1	107.7600	0.000	1	107.7600	0.000	1	108.8527	1.901	25	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:N[6]-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6]C[6]N[6])(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(N[6]C[6]O)	H(C[5,6]C[5,5,6]C[5,6]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6]C[6]N[6])(H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(N[6]C[6]O){2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,5,6]C[5,6]C[6])	109.3330	0.000	1	109.3330	0.000	1	109.3330	0.000	1	108.8527	1.901	25	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]O[6]H)(CNO)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]O[6]H)(CNO){3|C<4>,3|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.1030	0.000	1	107.1030	0.000	1	107.1030	0.000	1	108.8527	1.901	25	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]H)(CHO)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5,6]HH)(C[6]C[6]C)(H){1|O<2>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]H)(CHO){4|C<4>,4|H<1>}	H(C[5,6]C[5,5]C[5,6]C[6])	110.8340	0.000	1	110.8340	0.000	1	111.0970	0.138	2	108.8527	1.901	25	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]H)(COO)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5,6]HH)(C[6]C[6]C)(H){3|H<1>,5|C<4>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]H)(COO){1|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,5]C[5,6]C[6])	111.3600	0.000	1	111.3600	0.000	1	111.0970	0.138	2	108.8527	1.901	25	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[5,6,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]O[5,6]C)(C[5,6]C[5,6,6]C[6,6]C)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[5,6]O)(CCO)	H(C[5,6]C[5,6,6]C[5,6]C[6])	C[5,6](C[5,6,6]C[5,6,6]O[5,6]C)(C[5,6]C[5,6,6]C[6,6]C)(C[6]C[6]C)(H){1|C<3>,1|O<1>,2|C<4>,4|O<2>}	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[5,6]O)(CCO){1|C<3>,1|O<2>,6|C<4>}	H(C[5,6]C[5,6,6]C[5,6]C[6])	107.3890	0.000	1	107.3890	0.000	1	107.3890	0.000	1	108.8527	1.901	25	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(CHO)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(C[6]C[6]C)(H){4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(CHO){1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.2180	0.000	1	109.2180	0.000	1	109.2180	0.000	1	108.8527	1.901	25	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]C[6a]H)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]H)(COO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]C[6a]H)(C[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]H)(COO){2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.9890	0.000	1	110.9890	0.000	1	108.4775	1.466	13	108.8527	1.901	25	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CHO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CHO){4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.7370	0.000	1	109.7370	0.000	1	108.4775	1.466	13	108.8527	1.901	25	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]H)(COO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]H)(COO){3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.8510	0.000	1	107.8510	0.000	1	108.4775	1.466	13	108.8527	1.901	25	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2)(CCC)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]C)(H){1|S<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2)(CCC){1|N<3>,1|O<1>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	108.7575	0.073	2	108.7575	0.005	2	108.4775	1.466	13	108.8527	1.901	25	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CHH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CHH){2|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.7810	0.124	2	106.7810	0.015	2	108.4775	1.466	13	108.8527	1.901	25	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(CCH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(CCH){2|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1100	0.000	1	108.1100	0.000	1	108.4775	1.466	13	108.8527	1.901	25	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]H)(COO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]H)(COO){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.5240	0.279	2	107.5240	0.078	2	108.4775	1.466	13	108.8527	1.901	25	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2)(CCC)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2)(CCC){1|N<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.9660	0.000	1	108.9660	0.000	1	108.4775	1.466	13	108.8527	1.901	25	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCC)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCC){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.2800	0.000	1	109.2150	0.008	2	108.4775	1.466	13	108.8527	1.901	25	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCC)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H){1|S<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCC){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.1500	0.000	1	109.2150	0.008	2	108.4775	1.466	13	108.8527	1.901	25	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[3]O[5]H)(C[6]C[6a]C[6])(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[3]O[5]H)(C[6]C[6a]C[6])(H){1|S<4>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.9440	0.000	1	108.9440	0.000	1	109.0890	0.197	4	108.8527	1.901	25	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]O[5]H)(C[6]C[6a]C[6])(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[6a]O[5]H)(C[6]C[6a]C[6])(H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.8325	0.064	2	108.8325	0.004	2	109.0890	0.197	4	108.8527	1.901	25	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5]H)(C[6]C[6a]C[6])(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]N[5]H)(C[6]C[6a]C[6])(H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.7470	0.000	1	109.7470	0.000	1	109.0890	0.197	4	108.8527	1.901	25	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:3:	4:	N[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(COO)	H(C[5,6]N[5,6]C[5]C[6])	C[5,6](N[5,6]C[5,6]CH)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(COO){3|C<4>,5|H<1>}	H(C[5,6]N[5,6]C[5]C[6])	111.7560	0.000	1	111.7560	0.000	1	111.7560	0.000	1	108.8527	1.901	25	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:4:	4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]C[6]O[5]H)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(CCHH)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5]C[6]O[5]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,3|O<2>,4|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(CCHH){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.9620	0.000	1	107.9620	0.000	1	109.0455	4.307	4	108.1744	2.307	40	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:4:	4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[5]C[5]CO)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(CH3)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[5]C[5]CO)(C[6]C[6]C)(H){1|O<2>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(CH3){1|O<1>,3|C<4>,3|O<2>}	H(C[5,6]C[5,5,6]C[5]C[6])	112.1570	0.000	1	112.1570	0.000	1	109.0455	4.307	4	108.1744	2.307	40	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:4:	4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]H)(CH3)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]H)(CH3){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	108.0315	0.100	2	108.0315	0.010	2	109.0455	4.307	4	108.1744	2.307	40	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:4:	4:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,5]C[3x5]C[5]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6,6]H)(CH3)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[3x5]C[5]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6,6]H)(CH3){1|C<3>,2|H<1>,5|C<4>}	H(C[5,6]C[5,5]C[5,6]C[6])	107.9770	0.000	1	107.9770	0.000	1	107.9770	0.000	1	108.1744	2.307	40	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:4:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(CHHO)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HO)(C[6]C[6]C)(H){4|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(CHHO){1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.2420	0.000	1	108.2420	0.000	1	108.2420	0.000	1	108.1744	2.307	40	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]H)(CH3)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[6,6]C[5]C)(C[6]C[6]C)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]H)(CH3){2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]2C[6])	107.5790	0.000	1	107.5790	0.000	1	108.0312	5.001	5	108.1744	2.307	40	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(CH3)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,6|C<4>}	H(C[5,6]C[5,6]2C[6])	105.6650	0.000	1	105.9765	0.194	2	108.0312	5.001	5	108.1744	2.307	40	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(CH3)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6]2C[6])	106.2880	0.000	1	105.9765	0.194	2	108.0312	5.001	5	108.1744	2.307	40	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(CH3)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]C)(H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(CH3){1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]2C[6])	109.6960	0.000	1	110.3120	0.759	2	108.0312	5.001	5	108.1744	2.307	40	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(CH3)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]O[5,6]C[6]H)(C[6]C[6]C)(H){2|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]2C[6])	110.9280	0.000	1	110.3120	0.759	2	108.0312	5.001	5	108.1744	2.307	40	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCHH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5,5]CC)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CCHH){4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.8720	0.264	2	110.8720	0.070	2	108.0833	1.915	29	108.1744	2.307	40	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCHH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCHH){1|O<1>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.4000	0.000	1	106.6370	0.112	2	108.0833	1.915	29	108.1744	2.307	40	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCHH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H){2|C<3>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCHH){1|O<1>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	106.8740	0.000	1	106.6370	0.112	2	108.0833	1.915	29	108.1744	2.307	40	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3){1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.6120	0.000	1	108.6120	0.000	1	108.0833	1.915	29	108.1744	2.307	40	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]C)(H){2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3){1|O<1>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.0190	0.000	1	112.0190	0.000	1	108.0833	1.915	29	108.1744	2.307	40	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]CH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]CH)(C[6]C[6]C)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	110.1070	0.000	1	110.1070	0.000	1	108.0833	1.915	29	108.1744	2.307	40	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]HH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]C[6])(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]HH)(C[6]C[6]C)(H){1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]C[6])(CH3){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.5990	0.647	4	107.5990	0.418	4	108.0833	1.915	29	108.1744	2.307	40	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3){3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.1526	0.315	7	107.9574	0.390	8	108.0833	1.915	29	108.1744	2.307	40	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3){1|O<1>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.5910	0.000	1	107.9574	0.390	8	108.0833	1.915	29	108.1744	2.307	40	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]CH)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.0710	0.000	1	107.0710	0.000	1	108.0833	1.915	29	108.1744	2.307	40	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H){1|C<2>,1|C<4>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CH3){1|C<2>,1|N<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.5560	0.000	1	106.5560	0.000	1	108.0833	1.915	29	108.1744	2.307	40	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H){1|C<3>,1|S<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.6955	0.682	2	107.6955	0.466	2	108.0833	1.915	29	108.1744	2.307	40	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3){1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.2900	1.028	2	107.5980	0.650	6	108.0833	1.915	29	108.1744	2.307	40	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:3:4:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H){3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3){1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.7520	0.798	4	107.5980	0.650	6	108.0833	1.915	29	108.1744	2.307	40	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[3x5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(H)	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(O)	H(C[5,6]C[3x5,6]C[5]C[6])	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	H(C[5,6]C[3x5,6]C[5]C[6])	108.4980	0.000	1	108.3317	0.169	3	108.3317	0.169	3	108.7801	4.115	55	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[3x5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(H)	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(O)	H(C[5,6]C[3x5,6]C[5]C[6])	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<3>,4|C<4>,5|H<1>}	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(O){2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[3x5,6]C[5]C[6])	108.2485	0.544	2	108.3317	0.169	3	108.3317	0.169	3	108.7801	4.115	55	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[3x6]HH)(O)	H(C[5,6]C[5,5,6,6]C[5]C[6])	C[5,6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5,6])(C[5]N[5,6]HH)(C[6]C[6]O)(H){1|N<3>,3|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[3x6]HH)(O){1|C<3>,1|N<4>,2|H<1>,4|C<4>}	H(C[5,6]C[5,5,6,6]C[5]C[6])	111.8700	0.000	1	111.8700	0.000	1	111.8700	0.000	1	108.7801	4.115	55	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]O[5]O)(C[5]C[5,6]HH)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5,6,6]O[5]O)(C[5]C[5,6]HH)(C[6]C[6]O)(H){3|H<1>,4|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O){2|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	110.8800	2.301	2	110.8800	5.294	2	109.5503	4.142	4	108.7801	4.115	55	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5]C[5]HH)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HH)(O)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5,6]N[5,5]H)(C[5]C[5]HH)(C[6]C[6]O)(H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HH)(O){2|C<4>,2|N<3>,4|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	108.3940	0.000	1	108.3940	0.000	1	109.5503	4.142	4	108.7801	4.115	55	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]N[5]HO)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]N[5]HO)(C[6]C[6]O)(H){2|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	108.0470	0.000	1	108.0470	0.000	1	109.5503	4.142	4	108.7801	4.115	55	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,5]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]OO)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O)	H(C[5,6]C[5,5]C[5,6]C[6])	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]OO)(C[6]C[6]O)(H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O){2|H<1>,3|C<4>,3|O<2>}	H(C[5,6]C[5,5]C[5,6]C[6])	111.7940	0.000	1	111.7940	0.000	1	111.7940	0.000	1	108.7801	4.115	55	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,6,6]-4:C[3,5]-4:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,3x6]C[6,6]O)(C[3,5]C[5,5,6]C[3]O[3])(C[6]C[6,6]O)(H)	C[6](C[5,6]C[5,6,6]C[3,5]H)(C[6,6]C[6,6]C[6]C)(O)	H(C[5,6]C[5,6,6]C[3,5]C[6])	C[5,6](C[5,6,6]C[5,3x6]C[6,6]O)(C[3,5]C[5,5,6]C[3]O[3])(C[6]C[6,6]O)(H){2|H<1>,3|C<3>,6|C<4>}	C[6](C[5,6]C[5,6,6]C[3,5]H)(C[6,6]C[6,6]C[6]C)(O){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6,6]C[3,5]C[6])	111.7140	0.144	2	111.7140	0.021	2	111.7140	0.021	2	108.7801	4.115	55	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5]O[5]CC)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]O)(C[5]O[5]CC)(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	106.1630	0.000	1	106.1630	0.000	1	106.1630	0.000	1	108.7801	4.115	55	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]N[5,6]C)(C[5]C[5]HH)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6,6]CH)(O)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]N[5,6]C)(C[5]C[5]HH)(C[6]C[6]O)(H){1|N<2>,3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6,6]CH)(O){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.9115	0.030	2	108.9115	0.001	2	108.5175	5.108	12	108.7801	4.115	55	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]CC)(O)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(C[6]C[6]O)(H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]CC)(O){4|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	110.0230	0.000	1	110.0230	0.000	1	108.5175	5.108	12	108.7801	4.115	55	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(O)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6]O[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]O)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	103.8210	0.000	2	103.8210	0.000	2	108.5175	5.108	12	108.7801	4.115	55	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(O)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]O)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.7630	0.000	1	108.7630	0.000	1	108.5175	5.108	12	108.7801	4.115	55	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(O)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6a]N[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.5490	0.000	1	108.5490	0.000	1	108.5175	5.108	12	108.7801	4.115	55	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6,6]N[5,6,6]C[6,6]H)(C[5]C[5,6,6]HH)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(O)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]N[5,6,6]C[6,6]H)(C[5]C[5,6,6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(O){1|N<3>,1|S<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.8820	0.175	5	109.8820	0.031	5	108.5175	5.108	12	108.7801	4.115	55	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]2H)(O)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(C[6]C[5,6]O)(H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5,6]2H)(O){2|O<2>,3|H<1>,4|C<4>}	H(C[5,6]C[5,6]2C[6])	108.6885	0.026	2	108.6885	0.001	2	108.6885	0.001	2	108.7801	4.115	55	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]O[5]H)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[5,6]O)(H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]O[5]H)(O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.9910	0.000	1	107.9910	0.000	1	107.9910	0.000	1	108.7801	4.115	55	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]C[6]O)(H){3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O){3|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	111.4590	0.000	1	111.4590	0.000	1	108.5314	3.866	28	108.7801	4.115	55	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HO)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HO)(C[6]C[6]O)(H){3|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O){1|O<2>,2|H<1>,5|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	111.6490	0.000	1	111.6490	0.000	1	108.5314	3.866	28	108.7801	4.115	55	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[6a]N[5]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O){1|C<3>,1|N<3>,1|S<2>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.2260	0.000	1	109.2260	0.000	1	108.5314	3.866	28	108.7801	4.115	55	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]O)(H){1|H<1>,2|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(O){2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.3410	0.000	1	108.3410	0.000	1	108.5314	3.866	28	108.7801	4.115	55	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CH)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.7580	0.000	2	108.7580	0.000	2	108.5314	3.866	28	108.7801	4.115	55	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(O){1|C<3>,1|C<4>,6|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.1430	0.000	1	109.1430	0.000	1	108.5314	3.866	28	108.7801	4.115	55	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CH)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CH)(C[6]C[6]O)(H){1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	112.2600	0.000	1	112.2600	0.000	1	108.5314	3.866	28	108.7801	4.115	55	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]O[5]H)(C[5]C[5]HH)(C[6]C[6]O)(H){2|H<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CH)(O){2|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.3440	0.000	1	111.3440	0.000	1	108.5314	3.866	28	108.7801	4.115	55	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]O)(H){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O){4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.4290	0.300	2	106.4290	0.090	2	108.5314	3.866	28	108.7801	4.115	55	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)(H){1|C<3>,2|O<2>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(O){1|C<4>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	102.0260	0.000	1	102.0260	0.000	1	108.5314	3.866	28	108.7801	4.115	55	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HO)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]O)(H){2|O<2>,3|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HO)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.1830	1.212	3	109.1830	1.468	3	108.5314	3.866	28	108.7801	4.115	55	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]O)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O){1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.8170	0.196	3	108.8170	0.038	3	108.5314	3.866	28	108.7801	4.115	55	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]CH)(C[6]C[6]O)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.1570	0.000	1	107.1570	0.000	1	108.5314	3.866	28	108.7801	4.115	55	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]CC)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]C)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]CC)(C[6]C[6]O)(H){1|C<4>,1|O<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]C)(O){1|H<1>,1|O<2>,4|C<3>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	109.3690	0.000	1	109.3690	0.000	1	108.5314	3.866	28	108.7801	4.115	55	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CO)(C[6]C[6]O)(H){2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O){2|H<1>,2|O<2>,4|C<4>}	H(C[5,6]C[5,6]C[5]C[6])	107.5590	0.000	1	107.5590	0.000	1	108.5314	3.866	28	108.7801	4.115	55	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[5,6,6]C[6]H)(C[5]C[5,3x6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.7330	0.000	1	107.7330	0.000	1	108.5314	3.866	28	108.7801	4.115	55	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O){1|N<3>,1|S<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0940	0.158	2	107.8730	0.147	6	108.5314	3.866	28	108.7801	4.115	55	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:1:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6]-4:	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]N[5,6]C[6]H)(C[5]C[5,6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O){1|N<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.7625	0.433	4	107.8730	0.147	6	108.5314	3.866	28	108.7801	4.115	55	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:2:	4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6,6]O[5]O)(C[5]C[5,6]HH)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(OH)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,5,6,6]O[5]O)(C[5]C[5,6]HH)(C[6]C[6]O)(H){3|H<1>,4|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(OH){2|C<4>,2|O<2>,4|H<1>}	H(C[5,6]C[5,5,6]C[5]C[6])	113.1930	0.000	1	113.1930	0.000	1	113.1930	0.000	1	113.1930	0.000	1	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[3,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]2)(H)	C[6](C[5,6]C[3,5,6]C[5,6,6]H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[5,6]C[3,5,6]C[5,6,6]C[6])	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]C)(C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]2)(H){1|C<4>,3|C<3>,6|H<1>}	C[6](C[5,6]C[3,5,6]C[5,6,6]H)(C[6]C[6]HH)(C[6]C[6]H){1|H<1>,1|O<1>,3|C<3>,5|C<4>}	H(C[5,6]C[3,5,6]C[5,6,6]C[6])	106.9850	0.000	1	106.9850	0.000	1	106.9850	0.000	1	107.9049	3.536	46	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]CC)(CHH)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<3>,4|C<4>,7|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]CC)(CHH){3|H<1>,5|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	107.6970	0.000	1	107.6970	0.000	1	107.9123	1.298	3	107.9049	3.536	46	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[5,5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HH)(CHH)	H(C[5,6]C[5,5,6]C[5]C[6])	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,7|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HH)(CHH){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[5,6]C[5,5,6]C[5]C[6])	108.0200	1.590	2	108.0200	2.527	2	107.9123	1.298	3	107.9049	3.536	46	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5]O[5]CO)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]HH)(CHH)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5]O[5]CO)(C[6]C[6]C)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]HH)(CHH){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	H(C[5,6]C[5,6,6]C[5]C[6])	107.7390	0.000	1	107.7390	0.000	1	109.5111	1.088	8	107.9049	3.536	46	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]HH)(CHH)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]C)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]HH)(CHH){2|H<1>,3|C<4>,3|O<2>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.7630	0.000	2	109.7630	0.000	2	109.5111	1.088	8	107.9049	3.536	46	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(CHH)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(CHH){1|N<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	111.4140	0.000	1	111.4140	0.000	1	109.5111	1.088	8	107.9049	3.536	46	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHH)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5a]O[5]H)(C[6]C[6]C)(H){2|C<3>,3|C<4>,7|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	108.9010	0.000	1	108.9010	0.000	1	109.5111	1.088	8	107.9049	3.536	46	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHH)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HH)(C[6]C[6]C)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.9900	0.000	1	109.9900	0.000	1	109.5111	1.088	8	107.9049	3.536	46	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHH)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]C)(H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHH){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.2360	0.000	1	109.2595	0.001	2	109.5111	1.088	8	107.9049	3.536	46	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHH)	H(C[5,6]C[5,6,6]C[5]C[6])	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]C)(H){1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CHH){2|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6,6]C[5]C[6])	109.2830	0.000	1	109.2595	0.001	2	109.5111	1.088	8	107.9049	3.536	46	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(CHH)	H(C[5,6]C[5,6]2C[6])	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(CHH){2|C<3>,2|H<1>,4|C<4>}	H(C[5,6]C[5,6]2C[6])	109.5440	0.000	1	109.5440	0.000	1	109.5440	0.000	1	107.9049	3.536	46	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CHH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(C[6]C[6]C)(H){1|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CHH){1|C<3>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.0665	0.292	2	106.0665	0.085	2	107.2200	2.699	31	107.9049	3.536	46	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]C)(H){2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHH){1|Br<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.6590	0.000	1	111.6590	0.000	1	107.2200	2.699	31	107.9049	3.536	46	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH){4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.4785	0.016	2	106.3104	0.289	5	107.2200	2.699	31	107.9049	3.536	46	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH){4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.1983	0.729	3	106.3104	0.289	5	107.2200	2.699	31	107.9049	3.536	46	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]C)(H){2|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCH){4|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	105.9136	0.188	9	105.9136	0.035	9	107.2200	2.699	31	107.9049	3.536	46	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HO)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HO)(C[6]C[6]C)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.7670	0.016	2	107.7670	0.000	2	107.2200	2.699	31	107.9049	3.536	46	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHH){1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	107.5850	0.000	1	106.8350	1.125	2	107.2200	2.699	31	107.9049	3.536	46	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHH){3|C<4>,5|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.0850	0.000	1	106.8350	1.125	2	107.2200	2.699	31	107.9049	3.536	46	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(CHH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){1|N<3>,8|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(CHH){1|S<4>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0320	0.000	1	108.0320	0.000	1	107.2200	2.699	31	107.9049	3.536	46	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CHH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HO)(C[6]C[6]C)(H){2|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CHH){2|O<2>,3|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	106.1720	0.000	1	106.1720	0.000	1	107.2200	2.699	31	107.9049	3.536	46	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.5880	0.000	1	108.5880	0.000	1	107.2200	2.699	31	107.9049	3.536	46	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[6]H)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.6590	0.000	1	108.6590	0.000	1	107.2200	2.699	31	107.9049	3.536	46	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHH){1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	110.9540	0.000	1	109.1000	1.733	6	107.2200	2.699	31	107.9049	3.536	46	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H){1|O<2>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHH){1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.8045	0.704	2	109.1000	1.733	6	107.2200	2.699	31	107.9049	3.536	46	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHH)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]C)(H){3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CHH){1|O<2>,3|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	108.0123	0.311	3	109.1000	1.733	6	107.2200	2.699	31	107.9049	3.536	46	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:N-3:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CC)(C[6]C[6]N)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(NHO)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]CC)(C[6]C[6]N)(H){1|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(NHO){2|C<3>,2|C<4>,4|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	111.7255	0.135	2	111.7255	0.018	2	111.7255	0.018	2	107.9049	3.536	46	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5,6]	C[6]	H	4:4:3:1:	4:4:4:	4:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(CH3)	H(C[5,6]C[5,6]C[5]C[6])	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>,3|O<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(CH3){1|C<3>,2|C<4>,3|H<1>}	H(C[5,6]C[5,6]C[5]C[6])	109.4560	0.000	1	109.4560	0.000	1	109.4560	0.000	1	109.4560	0.000	1	109.1378	3.560	864	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5]	C[6]	H	2:2:3:1:	4:3:2:	4:	O[5]-2:O[5]-2:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-2:	C[5]-4:	C[5](O[5]C[5,6,6])2(C[6]C[6]2)(H)	C[6](C[5]O[5]2H)(C[6]C[6]H)(C[6]C[6])	H(C[5]C[6]O[5]2)	C[5](O[5]C[5,6,6])2(C[6]C[6]2)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5]O[5]2H)(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6]O[5]2)	105.3840	0.000	1	105.3840	0.000	1	105.3840	0.000	1	105.3840	0.000	1	108.7002	3.823	77	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5]	C[6]	H	3:2:2:1:	4:3:3:	4:	C[6]-3:O[5]-2:O[5]-2:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:	C[5](C[6]C[6]N[6])(O[5]C[5])2(H)	C[6](C[5]O[5]2H)(N[6]C[6]Re)(C[6]C[6]H)	H(C[5]C[6]O[5]2)	C[5](C[6]C[6]N[6])(O[5]C[5])2(H){1|Re<6>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5]O[5]2H)(N[6]C[6]Re)(C[6]C[6]H){1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[6]O[5]2)	109.5070	0.000	1	109.5070	0.000	1	109.5070	0.000	1	109.5070	0.000	1	108.7002	3.823	77	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5]	C[6]	H	3:2:3:1:	4:3:3:	4:	C[5,6a]-3:O[5]-2:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(O[5]C[5,6a])(C[6]C[6]2)(H)	C[6](C[5]C[5,6a]O[5]H)(C[6]C[6]O)2	H(C[5]C[5,6a]C[6]O[5])	C[5](C[5,6a]C[5,6a,6a]C[6a])(O[5]C[5,6a])(C[6]C[6]2)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[5]C[5,6a]O[5]H)(C[6]C[6]O)2{1|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6a]C[6]O[5])	108.4465	0.163	2	108.4465	0.027	2	108.4465	0.027	2	108.4465	0.027	2	108.7002	3.823	77	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5]	C[6]	H	3:3:2:1:	4:3:3:	4:	C[6]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:C[6]-3:N[6]-3:	C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]H)(S[5]C[5])(H)	C[6](C[5]N[5]S[5]H)(C[6]C[6]C)(N[6]C[6]H)	H(C[5]C[6]N[5]S[5])	C[5](C[6]C[6]N[6])(N[5]C[5]H)(S[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[5]N[5]S[5]H)(C[6]C[6]C)(N[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[6]N[5]S[5])	108.6000	0.000	1	108.6000	0.000	1	108.6000	0.000	1	109.1755	0.662	2	108.7002	3.823	77	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5]	C[6]	H	3:3:2:1:	4:3:3:	4:	C[6]-3:O[5]-3:O[5]-2:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:	C[5](C[6]C[6]N[6])(O[5]C[5]Re)(O[5]C[5])(H)	C[6](C[5]O[5]2H)(N[6]C[6]Re)(C[6]C[6]H)	H(C[5]C[6]O[5]2)	C[5](C[6]C[6]N[6])(O[5]C[5]Re)(O[5]C[5])(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5]O[5]2H)(N[6]C[6]Re)(C[6]C[6]H){1|C<3>,1|H<1>,3|C<4>}	H(C[5]C[6]O[5]2)	109.7510	0.000	1	109.7510	0.000	1	109.7510	0.000	1	109.1755	0.662	2	108.7002	3.823	77	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5]	C[6]	H	3:3:2:1:	4:4:3:	4:	C[5,6a]-3:C[6]-3:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2)(O[5]C[5])(H)	C[6](C[5]C[5,6a]O[5]H)(C[6]C[6]CC)(C[6]C[6]C)	H(C[5]C[5,6a]C[6]O[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2)(O[5]C[5])(H){2|C<3>,3|H<1>,5|C<4>}	C[6](C[5]C[5,6a]O[5]H)(C[6]C[6]CC)(C[6]C[6]C){2|C<3>,2|C<4>,4|H<1>}	H(C[5]C[5,6a]C[6]O[5])	107.9120	0.000	1	107.9120	0.000	1	107.9120	0.000	1	107.9120	0.000	1	108.7002	3.823	77	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5]	C[6]	H	3:3:3:1:	4:3:3:	4:	C[5,6a]-3:C[6]-3:N[5]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2)(N[5]C[5]C)(H)	C[6](C[5]C[5,6a]N[5]H)(C[6]C[6]N)(C[6]C[6]O)	H(C[5]C[5,6a]C[6]N[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2)(N[5]C[5]C)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C[6](C[5]C[5,6a]N[5]H)(C[6]C[6]N)(C[6]C[6]O){2|C<4>,3|C<3>,4|H<1>}	H(C[5]C[5,6a]C[6]N[5])	107.2560	0.000	1	107.2560	0.000	1	107.2560	0.000	1	108.9475	5.722	2	108.7002	3.823	77	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5]	C[6]	H	3:3:3:1:	4:3:3:	4:	N[5]-3:C[6]-3:S[5]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(S[5]C[5]Pd)(H)	C[6](C[5]N[5]S[5]H)(N[6]C[6]Pd)(C[6]C[6]H)	H(C[5]C[6]N[5]S[5])	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(S[5]C[5]Pd)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[5]N[5]S[5]H)(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	H(C[5]C[6]N[5]S[5])	110.6390	0.000	1	110.6390	0.000	1	110.6390	0.000	1	108.9475	5.722	2	108.7002	3.823	77	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5]	C[6]	H	3:3:3:1:	4:3:4:	4:	C[5,6a]-3:C[6]-3:C[5]-3:H-1:	C[5]-4:C[5,6]-3:C[6]-4:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[6]C[5,6]C[6])(C[5]C[5,6a]O)(H)	C[6](C[5]C[5,6a]C[5]H)(C[5,6]N[5,6]C[5])(C[6]C[6]HH)	H(C[5]C[5,6a]C[5]C[6])	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[6]C[5,6]C[6])(C[5]C[5,6a]O)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[5]C[5,6a]C[5]H)(C[5,6]N[5,6]C[5])(C[6]C[6]HH){1|O<1>,1|S<4>,3|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5,6a]C[5]C[6])	108.4620	0.000	1	108.4620	0.000	1	108.4620	0.000	1	108.4620	0.000	1	108.7002	3.823	77	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5]	C[6]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6]-3:N[5]-4:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]C[5]CdC)(H)	C[6](C[5]N[5]2H)(N[6]C[6]Cd)(C[6]C[6]H)	H(C[5]C[6]N[5]2)	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]C[5]CdC)(H){4|C<3>,5|H<1>}	C[6](C[5]N[5]2H)(N[6]C[6]Cd)(C[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[6]N[5]2)	109.5910	0.000	1	109.5910	0.000	1	109.5465	0.004	2	109.5465	0.004	2	108.7002	3.823	77	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5]	C[6]	H	3:3:4:1:	4:3:3:	4:	N[5]-3:C[6]-3:N[5]-4:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]C[5]ZnC)(H)	C[6](C[5]N[5]2H)(N[6]C[6]Zn)(C[6]C[6]H)	H(C[5]C[6]N[5]2)	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]C[5]ZnC)(H){4|C<3>,5|H<1>}	C[6](C[5]N[5]2H)(N[6]C[6]Zn)(C[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[6]N[5]2)	109.5020	0.000	1	109.5020	0.000	1	109.5465	0.004	2	109.5465	0.004	2	108.7002	3.823	77	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5]	C[6]	H	3:4:2:1:	4:3:3:	4:	C[6]-3:N[5]-4:O[5]-2:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]CdC)(O[5]C[5])(H)	C[6](C[5]N[5]O[5]H)(N[6]C[6]Cd)(C[6]C[6]H)	H(C[5]C[6]N[5]O[5])	C[5](C[6]C[6]N[6])(N[5]C[5]CdC)(O[5]C[5])(H){2|C<3>,5|H<1>}	C[6](C[5]N[5]O[5]H)(N[6]C[6]Cd)(C[6]C[6]H){1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[6]N[5]O[5])	108.6290	0.000	1	108.6290	0.000	1	109.6659	1.354	11	109.6659	1.354	11	108.7002	3.823	77	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5]	C[6]	H	3:4:2:1:	4:3:3:	4:	C[6]-3:N[5]-4:O[5]-2:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]CoH)(O[5]C[5])(H)	C[6](C[5]N[5]O[5]H)(N[6]C[6,6a]Co)(C[6]C[6]H)	H(C[5]C[6]N[5]O[5])	C[5](C[6]C[6]N[6])(N[5]C[5]CoH)(O[5]C[5])(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5]N[5]O[5]H)(N[6]C[6,6a]Co)(C[6]C[6]H){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6]N[5]O[5])	109.2660	0.000	1	109.2660	0.000	1	109.6659	1.354	11	109.6659	1.354	11	108.7002	3.823	77	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5]	C[6]	H	3:4:2:1:	4:3:3:	4:	C[6]-3:N[5]-4:O[5]-2:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]CuH)(O[5]C[5])(H)	C[6](C[5]N[5]O[5]H)(N[6]C[6]Cu)(C[6]C[6]H)	H(C[5]C[6]N[5]O[5])	C[5](C[6]C[6]N[6])(N[5]C[5]CuH)(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5]N[5]O[5]H)(N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[6]N[5]O[5])	110.3630	0.000	1	110.3630	0.000	1	109.6659	1.354	11	109.6659	1.354	11	108.7002	3.823	77	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5]	C[6]	H	3:4:2:1:	4:3:3:	4:	C[6]-3:N[5]-4:O[5]-2:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]NiH)(O[5]C[5])(H)	C[6](C[5]N[5]O[5]H)(N[6]C[6,6a]Ni)(C[6]C[6]H)	H(C[5]C[6]N[5]O[5])	C[5](C[6]C[6]N[6])(N[5]C[5]NiH)(O[5]C[5])(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5]N[5]O[5]H)(N[6]C[6,6a]Ni)(C[6]C[6]H){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6]N[5]O[5])	109.3240	0.000	1	109.3240	0.000	1	109.6659	1.354	11	109.6659	1.354	11	108.7002	3.823	77	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5]	C[6]	H	3:4:2:1:	4:3:3:	4:	C[6]-3:N[5]-4:O[5]-2:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]NiH)(O[5]C[5])(H)	C[6](C[5]N[5]O[5]H)(N[6]C[6]Ni)(C[6]C[6]H)	H(C[5]C[6]N[5]O[5])	C[5](C[6]C[6]N[6])(N[5]C[5]NiH)(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5]N[5]O[5]H)(N[6]C[6]Ni)(C[6]C[6]H){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6]N[5]O[5])	109.6660	0.000	1	109.6660	0.000	1	109.6659	1.354	11	109.6659	1.354	11	108.7002	3.823	77	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5]	C[6]	H	3:4:2:1:	4:3:3:	4:	C[6]-3:N[5]-4:O[5]-2:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]PdC)(O[5]C[5])(H)	C[6](C[5]N[5]O[5]H)(N[6]C[6]Pd)(C[6]C[6]H)	H(C[5]C[6]N[5]O[5])	C[5](C[6]C[6]N[6])(N[5]C[5]PdC)(O[5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5]N[5]O[5]H)(N[6]C[6]Pd)(C[6]C[6]H){1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[6]N[5]O[5])	108.3680	1.451	2	108.3680	2.105	2	109.6659	1.354	11	109.6659	1.354	11	108.7002	3.823	77	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5]	C[6]	H	3:4:2:1:	4:3:3:	4:	C[6]-3:N[5]-4:O[5]-2:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]PdH)(O[5]C[5])(H)	C[6](C[5]N[5]O[5]H)(N[6]C[6]Pd)(C[6]C[6]H)	H(C[5]C[6]N[5]O[5])	C[5](C[6]C[6]N[6])(N[5]C[5]PdH)(O[5]C[5])(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5]N[5]O[5]H)(N[6]C[6]Pd)(C[6]C[6]H){1|C<3>,2|C<4>,3|H<1>}	H(C[5]C[6]N[5]O[5])	109.5690	0.000	1	109.5690	0.000	1	109.6659	1.354	11	109.6659	1.354	11	108.7002	3.823	77	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5]	C[6]	H	3:4:2:1:	4:3:3:	4:	C[6]-3:N[5]-4:O[5]-2:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]ZnC)(O[5]C[5])(H)	C[6](C[5]N[5]O[5]H)(N[6]C[6]Zn)(C[6]C[6]H)	H(C[5]C[6]N[5]O[5])	C[5](C[6]C[6]N[6])(N[5]C[5]ZnC)(O[5]C[5])(H){2|C<3>,5|H<1>}	C[6](C[5]N[5]O[5]H)(N[6]C[6]Zn)(C[6]C[6]H){1|C<3>,2|H<1>,3|C<4>}	H(C[5]C[6]N[5]O[5])	111.3455	0.639	2	111.3455	0.408	2	109.6659	1.354	11	109.6659	1.354	11	108.7002	3.823	77	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5]	C[6]	H	3:4:2:1:	4:3:3:	4:	C[6]-3:N[5]-4:O[5]-2:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]ZnH)(O[5]C[5])(H)	C[6](C[5]N[5]O[5]H)(N[6]C[6,6a]Zn)(C[6]C[6]H)	H(C[5]C[6]N[5]O[5])	C[5](C[6]C[6]N[6])(N[5]C[5]ZnH)(O[5]C[5])(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[5]N[5]O[5]H)(N[6]C[6,6a]Zn)(C[6]C[6]H){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6]N[5]O[5])	110.0810	0.000	1	110.0810	0.000	1	109.6659	1.354	11	109.6659	1.354	11	108.7002	3.823	77	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5]	C[6]	H	3:4:2:1:	4:4:3:	4:	C[6]-3:C[5]-4:O[5]-2:H-1:	C[6,6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[6]C[6,6]C[6])(C[5]O[5]CC)(O[5]C[5])(H)	C[6](C[6,6]C[6,6]C[6]C)(C[5]C[5]O[5]H)(C[6]C[6]H)	H(C[5]C[5]C[6]O[5])	C[5](C[6]C[6,6]C[6])(C[5]O[5]CC)(O[5]C[5])(H){1|H<1>,1|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[5]C[5]O[5]H)(C[6]C[6]H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	H(C[5]C[5]C[6]O[5])	108.7090	0.000	1	108.7090	0.000	1	108.7090	0.000	1	108.7090	0.000	1	108.7002	3.823	77	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[5,5a]-3:C[5]-4:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(C[6]C[6]2)(H)	C[6](C[5]C[5,5a]C[5]H)(C[6]C[6]N)(C[6]C[6]O)	H(C[5]C[5,5a]C[5]C[6])	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[6a]C[5]H)(C[6]C[6]2)(H){1|O<1>,2|C<4>,2|N<3>,6|C<3>}	C[6](C[5]C[5,5a]C[5]H)(C[6]C[6]N)(C[6]C[6]O){2|C<4>,3|C<3>,5|H<1>}	H(C[5]C[5,5a]C[5]C[6])	108.5060	0.000	1	108.5060	0.000	1	108.5060	0.000	1	108.8255	2.324	11	108.7002	3.823	77	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[5,6]-3:P[5]-4:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(P[5]C[5]C[6]Pd)(C[6]C[6]N[6])(H)	C[6](C[5]C[5,6]P[5]H)(N[6]C[6]Pd)(C[6]C[6]H)	H(C[5]C[5,6]C[6]P[5])	C[5](C[5,6]C[5,6]C[6])(P[5]C[5]C[6]Pd)(C[6]C[6]N[6])(H){3|C<3>,3|H<1>,4|C<4>}	C[6](C[5]C[5,6]P[5]H)(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	H(C[5]C[5,6]C[6]P[5])	108.9280	0.000	1	108.9280	0.000	1	108.9015	0.001	2	108.8255	2.324	11	108.7002	3.823	77	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[5,6]-3:P[5]-4:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Pd)(C[6]C[6]N[6])(H)	C[6](C[5]C[5,6]P[5]H)(N[6]C[6]Pd)(C[6]C[6]H)	H(C[5]C[5,6]C[6]P[5])	C[5](C[5,6]C[5,6]C[6])(P[5]C[6a]C[5]Pd)(C[6]C[6]N[6])(H){2|C<4>,2|H<1>,5|C<3>}	C[6](C[5]C[5,6]P[5]H)(N[6]C[6]Pd)(C[6]C[6]H){2|H<1>,5|C<3>}	H(C[5]C[5,6]C[6]P[5])	108.8750	0.000	1	108.8750	0.000	1	108.9015	0.001	2	108.8255	2.324	11	108.7002	3.823	77	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:N[5]-4:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(C[6]C[6]2)(H)	C[6](C[5]C[5,6a]N[5]H)(C[6]C[6]O)2	H(C[5]C[5,6a]C[6]N[5])	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(C[6]C[6]2)(H){1|H<1>,2|C<4>,2|O<1>,3|C<3>}	C[6](C[5]C[5,6a]N[5]H)(C[6]C[6]O)2{3|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5,6a]C[6]N[5])	106.2360	0.000	1	106.2360	0.000	1	106.0400	0.077	2	108.8255	2.324	11	108.7002	3.823	77	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[5,6a]-3:N[5]-4:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(C[6]C[6]2)(H)	C[6](C[5]C[5,6a]N[5]H)(C[6]N[6]O)2	H(C[5]C[5,6a]C[6]N[5])	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]CC)(C[6]C[6]2)(H){1|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[6](C[5]C[5,6a]N[5]H)(C[6]N[6]O)2{4|C<3>,4|C<4>}	H(C[5]C[5,6a]C[6]N[5])	105.8440	0.000	1	105.8440	0.000	1	106.0400	0.077	2	108.8255	2.324	11	108.7002	3.823	77	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[6]-3:N[5]-4:N[5]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]CdC)(N[5]C[5]H)(H)	C[6](C[5]N[5]2H)(N[6]C[6]Cd)(C[6]C[6]H)	H(C[5]C[6]N[5]2)	C[5](C[6]C[6]N[6])(N[5]C[5]CdC)(N[5]C[5]H)(H){3|H<1>,4|C<3>}	C[6](C[5]N[5]2H)(N[6]C[6]Cd)(C[6]C[6]H){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[6]N[5]2)	109.6000	0.000	1	109.6000	0.000	1	109.7820	0.407	6	108.8255	2.324	11	108.7002	3.823	77	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[6]-3:N[5]-4:N[5]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]CuC)(N[5]C[5]H)(H)	C[6](C[5]N[5]2H)(N[6]C[6]Cu)(C[6]C[6]H)	H(C[5]C[6]N[5]2)	C[5](C[6]C[6]N[6])(N[5]C[5]CuC)(N[5]C[5]H)(H){2|C<3>,5|H<1>}	C[6](C[5]N[5]2H)(N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[6]N[5]2)	110.1550	0.082	2	110.1550	0.007	2	109.7820	0.407	6	108.8255	2.324	11	108.7002	3.823	77	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[6]-3:N[5]-4:N[5]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]FeC)(N[5]C[5]C)(H)	C[6](C[5]N[5]2H)(N[6]C[6]Fe)(C[6]C[6]H)	H(C[5]C[6]N[5]2)	C[5](C[6]C[6]N[6])(N[5]C[5]FeC)(N[5]C[5]C)(H){3|H<1>,4|C<3>}	C[6](C[5]N[5]2H)(N[6]C[6]Fe)(C[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	H(C[5]C[6]N[5]2)	110.5880	0.000	1	110.5880	0.000	1	109.7820	0.407	6	108.8255	2.324	11	108.7002	3.823	77	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5]	C[6]	H	3:4:3:1:	4:3:3:	4:	C[6]-3:N[5]-4:N[5]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]MnC)(N[5]C[5]H)(H)	C[6](C[5]N[5]2H)(N[6]C[6]Mn)(C[6]C[6]H)	H(C[5]C[6]N[5]2)	C[5](C[6]C[6]N[6])(N[5]C[5]MnC)(N[5]C[5]H)(H){2|C<3>,5|H<1>}	C[6](C[5]N[5]2H)(N[6]C[6]Mn)(C[6]C[6]H){1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[6]N[5]2)	109.0970	0.361	2	109.0970	0.130	2	109.7820	0.407	6	108.8255	2.324	11	108.7002	3.823	77	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5]	C[6]	H	3:4:4:1:	3:4:2:	4:	C[6]-3:C[5]-4:C[5]-4:H-1:	C[6,6a]-3:C[5]-4:N[6]-2:	C[5]-4:	C[5](C[6]C[6,6a]N[6])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]2H)(N[6]S[6])	H(C[5]C[5]2C[6])	C[5](C[6]C[6,6a]N[6])(C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){1|S<4>,2|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]2H)(N[6]S[6]){1|O<2>,2|C<4>,2|O<1>,3|H<1>,4|C<3>}	H(C[5]C[5]2C[6])	108.7745	0.360	2	108.7745	0.130	2	108.7745	0.130	2	108.7745	0.130	2	108.7002	3.823	77	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5]	C[6]	H	3:4:4:1:	4:3:3:	4:	C[6]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[6]-3:N[6]-3:	C[5]-4:	C[5](C[6]C[6]N[6])(C[5]C[5]CH)2(H)	C[6](C[5]C[5]2H)(C[6]C[6]H)(N[6]C[6]H)	H(C[5]C[5]2C[6])	C[5](C[6]C[6]N[6])(C[5]C[5]CH)2(H){2|C<3>,6|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]H)(N[6]C[6]H){1|C<3>,4|C<4>,4|H<1>}	H(C[5]C[5]2C[6])	107.6320	0.000	1	107.6320	0.000	1	107.6320	0.000	1	108.3707	0.754	3	108.7002	3.823	77	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5]	C[6]	H	3:4:4:1:	4:3:3:	4:	C[6]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:	C[5](C[6]C[6]N[6])(C[5]C[5]HH)2(H)	C[6](C[5]C[5]2H)(N[6]C[6]Pt)(C[6]C[6]H)	H(C[5]C[5]2C[6])	C[5](C[6]C[6]N[6])(C[5]C[5]HH)2(H){1|Pt<4>,2|C<3>,5|H<1>}	C[6](C[5]C[5]2H)(N[6]C[6]Pt)(C[6]C[6]H){2|C<3>,3|C<4>,4|H<1>}	H(C[5]C[5]2C[6])	108.1530	0.000	1	108.1530	0.000	1	108.1530	0.000	1	108.3707	0.754	3	108.7002	3.823	77	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5]	C[6]	H	3:4:4:1:	4:3:3:	4:	C[6]-3:N[5]-4:N[5]-4:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:	C[5](C[6]C[6]N[6])(N[5]C[5]FeH)(N[5]C[5]HS)(H)	C[6](C[5]N[5]2H)(N[6]C[6]Fe)(C[6]C[6]H)	H(C[5]C[6]N[5]2)	C[5](C[6]C[6]N[6])(N[5]C[5]FeH)(N[5]C[5]HS)(H){3|H<1>,4|C<3>}	C[6](C[5]N[5]2H)(N[6]C[6]Fe)(C[6]C[6]H){1|C<3>,1|S<4>,3|C<4>,3|H<1>}	H(C[5]C[6]N[5]2)	109.3270	0.000	1	109.3270	0.000	1	109.3270	0.000	1	108.3707	0.754	3	108.7002	3.823	77	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5]	C[6]	H	4:3:2:1:	4:3:3:	4:	C[3,5]-4:C[6]-3:O[5]-2:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[6]C[6]2)(O[5]C[5])(H)	C[6](C[5]C[3,5]O[5]H)(C[6]C[6]C)(C[6]C[6]O)	H(C[5]C[3,5]C[6]O[5])	C[5](C[3,5]C[3,5]O[3]H)(C[6]C[6]2)(O[5]C[5])(H){2|C<3>,2|C<4>,2|O<1>}	C[6](C[5]C[3,5]O[5]H)(C[6]C[6]C)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	H(C[5]C[3,5]C[6]O[5])	108.6480	0.000	1	108.5343	0.059	4	108.5343	0.059	4	109.6679	1.107	10	108.7002	3.823	77	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5]	C[6]	H	4:3:2:1:	4:3:3:	4:	C[3,5]-4:C[6]-3:O[5]-2:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[6]C[6]2)(O[5]C[5])(H)	C[6](C[5]C[3,5]O[5]H)(C[6]C[6]C)(C[6]C[6]O)	H(C[5]C[3,5]C[6]O[5])	C[5](C[3,5]C[3,5]O[3]H)(C[6]C[6]2)(O[5]C[5])(H){2|C<3>,2|C<4>,2|O<1>}	C[6](C[5]C[3,5]O[5]H)(C[6]C[6]C)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	H(C[5]C[3,5]C[6]O[5])	108.6510	0.127	2	108.5343	0.059	4	108.5343	0.059	4	109.6679	1.107	10	108.7002	3.823	77	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5]	C[6]	H	4:3:2:1:	4:3:3:	4:	C[3,5]-4:C[6]-3:O[5]-2:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[3,5]C[3,5]O[3]H)(C[6]C[6]2)(O[5]C[5])(H)	C[6](C[5]C[3,5]O[5]H)(C[6]C[6]C)(C[6]C[6]O)	H(C[5]C[3,5]C[6]O[5])	C[5](C[3,5]C[3,5]O[3]H)(C[6]C[6]2)(O[5]C[5])(H){2|C<3>,2|C<4>,2|O<1>}	C[6](C[5]C[3,5]O[5]H)(C[6]C[6]C)(C[6]C[6]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[5]C[3,5]C[6]O[5])	108.1870	0.000	1	108.5343	0.059	4	108.5343	0.059	4	109.6679	1.107	10	108.7002	3.823	77	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5]	C[6]	H	4:3:2:1:	4:3:3:	4:	N[5,5]-4:C[6]-3:O[5]-2:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:	C[5](N[5,5]C[5,5]C[5]Fe)(C[6]C[6]N[6])(O[5]C[5])(H)	C[6](C[5]N[5,5]O[5]H)(N[6]C[6]Fe)(C[6]C[6]H)	H(C[5]N[5,5]C[6]O[5])	C[5](N[5,5]C[5,5]C[5]Fe)(C[6]C[6]N[6])(O[5]C[5])(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[5]N[5,5]O[5]H)(N[6]C[6]Fe)(C[6]C[6]H){1|C<3>,2|H<1>,3|C<4>}	H(C[5]N[5,5]C[6]O[5])	110.3208	0.092	4	110.3208	0.008	4	110.3208	0.008	4	109.6679	1.107	10	108.7002	3.823	77	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5]	C[6]	H	4:3:2:1:	4:3:3:	4:	N[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:	C[5](N[5,6]C[5,6]C[6]Cu)(C[6]C[6]N[6])(O[5]C[5,6])(H)	C[6](C[5]N[5,6]O[5]H)(N[6]C[6]Cu)(C[6]C[6]H)	H(C[5]N[5,6]C[6]O[5])	C[5](N[5,6]C[5,6]C[6]Cu)(C[6]C[6]N[6])(O[5]C[5,6])(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6](C[5]N[5,6]O[5]H)(N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,1|H<1>,4|C<4>}	H(C[5]N[5,6]C[6]O[5])	109.9000	0.000	1	109.9000	0.000	1	109.9000	0.000	1	109.6679	1.107	10	108.7002	3.823	77	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5]	C[6]	H	4:3:2:1:	4:3:3:	4:	N[5]-4:C[6]-3:O[5]-2:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:	C[5](N[5]C[6a]C[5]Pd)(C[6]C[6]N[6])(O[5]C[5])(H)	C[6](C[5]N[5]O[5]H)(N[6]C[6]Pd)(C[6]C[6]H)	H(C[5]C[6]N[5]O[5])	C[5](N[5]C[6a]C[5]Pd)(C[6]C[6]N[6])(O[5]C[5])(H){4|C<3>,5|H<1>}	C[6](C[5]N[5]O[5]H)(N[6]C[6]Pd)(C[6]C[6]H){2|C<3>,2|C<4>,2|H<1>}	H(C[5]C[6]N[5]O[5])	111.3590	0.000	1	111.3590	0.000	1	111.3590	0.000	1	109.6679	1.107	10	108.7002	3.823	77	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5]	C[6]	H	4:3:2:1:	4:3:4:	4:	C[5]-4:C[6]-3:O[5]-2:H-1:	C[5]-4:C[6]-3:C[6]-4:	C[5]-4:	C[5](C[5]O[5]HH)(C[6]C[6]2)(O[5]C[5])(H)	C[6](C[5]C[5]O[5]H)(C[6]C[5,6]C)(C[6]C[6]HH)	H(C[5]C[5]C[6]O[5])	C[5](C[5]O[5]HH)(C[6]C[6]2)(O[5]C[5])(H){2|H<1>,5|C<4>}	C[6](C[5]C[5]O[5]H)(C[6]C[5,6]C)(C[6]C[6]HH){1|O<2>,3|C<4>,5|H<1>}	H(C[5]C[5]C[6]O[5])	109.8115	0.311	4	109.8115	0.097	4	109.8115	0.097	4	109.8115	0.097	4	108.7002	3.823	77	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[5]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]C[5]O)(C[6]C[6]2)(H)	C[6](C[5]C[5]2H)(C[6]N[6]O)2	H(C[5]C[5]2C[6])	C[5](C[5]C[5]HN)(C[5]C[5]O)(C[6]C[6]2)(H){2|H<1>,2|N<3>,2|O<1>}	C[6](C[5]C[5]2H)(C[6]N[6]O)2{1|H<1>,1|N<4>,1|O<1>,2|C<4>,3|C<3>}	H(C[5]C[5]2C[6])	107.5483	0.279	3	107.5483	0.078	3	107.5886	0.622	8	107.2726	7.893	13	108.7002	3.823	77	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[5]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]O)(C[6]C[6]2)(H)	C[6](C[5]C[5]2H)(C[6]O[6]O)2	H(C[5]C[5]2C[6])	C[5](C[5]C[5]N[5]H)(C[5]C[5]O)(C[6]C[6]2)(H){2|C<4>,2|O<1>,2|O<2>,3|H<1>}	C[6](C[5]C[5]2H)(C[6]O[6]O)2{1|C<4>,1|H<1>,1|N<4>,1|O<1>,2|C<3>}	H(C[5]C[5]2C[6])	109.0990	0.000	1	109.0990	0.000	1	107.5886	0.622	8	107.2726	7.893	13	108.7002	3.823	77	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[5]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5]C[5]N[6]H)(C[5]C[5]O)(C[6]C[6]2)(H)	C[6](C[5]C[5]2H)(C[6]O[6]O)2	H(C[5]C[5]2C[6])	C[5](C[5]C[5]N[6]H)(C[5]C[5]O)(C[6]C[6]2)(H){2|C<4>,2|H<1>,2|O<1>,2|O<2>}	C[6](C[5]C[5]2H)(C[6]O[6]O)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[5]C[5]2C[6])	106.6635	0.252	2	107.2412	0.477	4	107.5886	0.622	8	107.2726	7.893	13	108.7002	3.823	77	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[5]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5]C[5]N[6]H)(C[5]C[5]O)(C[6]C[6]2)(H)	C[6](C[5]C[5]2H)(C[6]O[6]O)2	H(C[5]C[5]2C[6])	C[5](C[5]C[5]N[6]H)(C[5]C[5]O)(C[6]C[6]2)(H){2|C<4>,2|O<1>,2|O<2>,3|H<1>}	C[6](C[5]C[5]2H)(C[6]O[6]O)2{1|C<4>,1|H<1>,1|N<4>,1|O<1>,2|C<3>}	H(C[5]C[5]2C[6])	107.8190	0.182	2	107.2412	0.477	4	107.5886	0.622	8	107.2726	7.893	13	108.7002	3.823	77	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6]-3:N[5]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[6]C[6]2)(N[5]C[5]C)(H)	C[6](C[5]C[5]N[5]H)(C[6]C[6]H)(C[6]N[6]H)	H(C[5]C[5]C[6]N[5])	C[5](C[5]C[5]HH)(C[6]C[6]2)(N[5]C[5]C)(H){1|C<3>,1|N<3>,6|H<1>}	C[6](C[5]C[5]N[5]H)(C[6]C[6]H)(C[6]N[6]H){1|C<3>,1|W<6>,3|C<4>,3|H<1>}	H(C[5]C[5]C[6]N[5])	109.4950	0.000	1	109.0510	0.150	3	109.0510	0.150	3	107.2726	7.893	13	108.7002	3.823	77	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6]-3:N[5]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[6]C[6]2)(N[5]C[5]C)(H)	C[6](C[5]C[5]N[5]H)(C[6]C[6]H)(C[6]N[6]H)	H(C[5]C[5]C[6]N[5])	C[5](C[5]C[5]HH)(C[6]C[6]2)(N[5]C[5]C)(H){1|C<3>,1|N<3>,6|H<1>}	C[6](C[5]C[5]N[5]H)(C[6]C[6]H)(C[6]N[6]H){1|Cu<5>,1|C<3>,3|C<4>,3|H<1>}	H(C[5]C[5]C[6]N[5])	108.8290	0.068	2	109.0510	0.150	3	109.0510	0.150	3	107.2726	7.893	13	108.7002	3.823	77	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6]-3:N[5]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:	C[5](C[5]C[6]N[5]H)(C[6]C[6]N[6])(N[5]C[5]H)(H)	C[6](C[5]C[5]N[5]H)(N[6]C[6]Cd)(C[6]C[6]H)	H(C[5]C[5]C[6]N[5])	C[5](C[5]C[6]N[5]H)(C[6]C[6]N[6])(N[5]C[5]H)(H){1|Cd<6>,1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[5]C[5]N[5]H)(N[6]C[6]Cd)(C[6]C[6]H){1|C<4>,1|N<4>,2|C<3>,4|H<1>}	H(C[5]C[5]C[6]N[5])	98.3984	0.000	1	98.3984	0.000	1	103.3407	48.853	2	107.2726	7.893	13	108.7002	3.823	77	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5]	C[6]	H	4:3:3:1:	4:3:3:	4:	C[5]-4:C[6]-3:N[5]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[6]C[6]N[6])(N[5]C[5]C)(H)	C[6](C[5]C[5]N[5]H)(N[6]C[6]Fe)(C[6]C[6]H)	H(C[5]C[5]C[6]N[5])	C[5](C[5]C[6a]N[5]H)(C[6]C[6]N[6])(N[5]C[5]C)(H){1|Fe<6>,1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6](C[5]C[5]N[5]H)(N[6]C[6]Fe)(C[6]C[6]H){1|C<4>,1|N<4>,3|C<3>,3|H<1>}	H(C[5]C[5]C[6]N[5])	108.2830	0.000	1	108.2830	0.000	1	103.3407	48.853	2	107.2726	7.893	13	108.7002	3.823	77	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5]	C[6]	H	4:3:3:1:	4:4:3:	4:	C[5,5]-4:C[5]-3:C[6]-3:H-1:	C[5]-4:C[6]-4:C[6]-3:	C[5]-4:	C[5](C[5,5]C[3,5]C[5,5]H)(C[5]O[5]O)(C[6]C[6]2)(H)	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]HH)(C[6]C[6]C)	H(C[5]C[5,5]C[5]C[6])	C[5](C[5,5]C[3,5]C[5,5]H)(C[5]O[5]O)(C[6]C[6]2)(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]HH)(C[6]C[6]C){1|C<3>,1|O<2>,2|H<1>,2|O<1>,3|C<4>}	H(C[5]C[5,5]C[5]C[6])	105.1640	0.000	2	105.1640	0.000	2	105.1640	0.000	2	106.0770	2.501	3	108.7002	3.823	77	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5]	C[6]	H	4:3:3:1:	4:4:3:	4:	C[5]-4:C[6]-3:N[5]-3:H-1:	C[6]-4:C[5]-4:C[6]-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[6]C[6]2)(N[5]C[5]C)(H)	C[6](C[6]C[6a]C[6]H)(C[5]C[5]N[5]H)(C[6]N[6]H)	H(C[5]C[5]C[6]N[5])	C[5](C[5]C[5]HH)(C[6]C[6]2)(N[5]C[5]C)(H){1|N<3>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6]H)(C[5]C[5]N[5]H)(C[6]N[6]H){3|C<4>,3|H<1>,4|C<3>}	H(C[5]C[5]C[6]N[5])	107.9030	0.000	1	107.9030	0.000	1	107.9030	0.000	1	106.0770	2.501	3	108.7002	3.823	77	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5]	C[6]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:C[6]-3:N[5]-4:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:	C[5](C[5]C[6]N[5]H)(C[6]C[6]N[6])(N[5]C[5]CdC)(H)	C[6](C[5]C[5]N[5]H)(N[6]C[6]Cd)(C[6]C[6]H)	H(C[5]C[5]C[6]N[5])	C[5](C[5]C[6]N[5]H)(C[6]C[6]N[6])(N[5]C[5]CdC)(H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[5]C[5]N[5]H)(N[6]C[6]Cd)(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[5]C[5]C[6]N[5])	114.8340	0.000	1	114.8340	0.000	1	110.8420	12.030	3	110.8420	12.030	3	108.7002	3.823	77	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5]	C[6]	H	4:3:4:1:	4:3:3:	4:	C[5]-4:C[6]-3:N[5]-4:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[5]-4:	C[5](C[5]C[6a]C[5]N)(C[6]C[6]N[6])(N[5]N[5]NiH)(H)	C[6](C[5]C[5]N[5]H)(N[6]C[6]Ni)(C[6]C[6]H)	H(C[5]C[5]C[6]N[5])	C[5](C[5]C[6a]C[5]N)(C[6]C[6]N[6])(N[5]N[5]NiH)(H){1|H<1>,5|C<3>}	C[6](C[5]C[5]N[5]H)(N[6]C[6]Ni)(C[6]C[6]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	H(C[5]C[5]C[6]N[5])	108.8460	0.395	2	108.8460	0.156	2	110.8420	12.030	3	110.8420	12.030	3	108.7002	3.823	77	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[5]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5]C[5]HH)2(C[6]C[6]2)(H)	C[6](C[5]C[5]2H)(C[6]C[6]H)(C[6]N[6]H)	H(C[5]C[5]2C[6])	C[5](C[5]C[5]HH)2(C[6]C[6]2)(H){1|N<3>,3|C<3>,4|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]H)(C[6]N[6]H){1|C<3>,2|C<4>,6|H<1>}	H(C[5]C[5]2C[6])	105.5350	0.000	1	105.5350	0.000	1	105.5350	0.000	1	107.4977	3.146	3	108.7002	3.823	77	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5]	C[6]	H	4:4:3:1:	4:3:3:	4:	C[5]-4:N[5]-4:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]CH)(C[6]C[6]2)(H)	C[6](C[5]C[5]N[5]H)(C[6]C[6]H)(C[6]N[6]H)	H(C[5]C[5]C[6]N[5])	C[5](C[5]C[5]HH)(N[5]C[5]CH)(C[6]C[6]2)(H){1|C<3>,1|N<3>,6|H<1>}	C[6](C[5]C[5]N[5]H)(C[6]C[6]H)(C[6]N[6]H){1|C<3>,3|C<4>,5|H<1>}	H(C[5]C[5]C[6]N[5])	108.4790	0.717	2	108.4790	0.514	2	108.4790	0.514	2	107.4977	3.146	3	108.7002	3.823	77	109.1120	3.935	1118
474	762	951	0:SP3_SP-NON_SP2	C[5]	C[6]	H	4:4:3:1:	4:4:3:	4:	C[5]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:C[6]-4:C[6]-3:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(C[6]C[6]2)(H)	C[6](C[5]C[5]2H)(C[6]C[6]HH)(C[6]C[6]H)	H(C[5]C[5]2C[6])	C[5](C[5]C[5]HH)(C[5]N[5]CH)(C[6]C[6]2)(H){1|O<2>,1|S<4>,2|C<3>,4|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[5]C[5]2C[6])	107.9270	0.000	1	107.9270	0.000	1	107.9270	0.000	1	107.9270	0.000	1	108.7002	3.823	77	109.1120	3.935	1118