474	474	830	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	F	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:F-1:H-1:	C[3x5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[3x5,6,6]C[5,6]H)2(F)(H)	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[3,5,6]C[5])(C[5,5]C[5,5,6]FH)(C[5,6]C[5,6]HH)(H)	F(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[3x5,6,6]C[5,6]H)2(F)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[3,5,6]C[5])(C[5,5]C[5,5,6]FH)(C[5,6]C[5,6]HH)(H){1|B<5>,1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	F(C[5,5]C[5,5,6]2H)	114.1255	0.538	2	114.1255	0.290	2	116.0531	4.726	8	116.0531	4.726	8	116.0531	4.726	8	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	F	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:F-1:H-1:	C[3x5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[3x5,6,6]C[5,6]H)2(F)(H)	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]FH)(C[5,6]C[5,6]HH)(H)	F(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[3x5,6,6]C[5,6]H)2(F)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]FH)(C[5,6]C[5,6]HH)(H){1|B<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	F(C[5,5]C[5,5,6]2H)	113.9965	0.298	2	116.6957	4.577	6	116.0531	4.726	8	116.0531	4.726	8	116.0531	4.726	8	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	F	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:F-1:H-1:	C[3x5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[3x5,6,6]C[5,6]H)2(F)(H)	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]FH)(C[5,6]C[5,6]HH)(H)	F(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[3x5,6,6]C[5,6]H)2(F)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]FH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	F(C[5,5]C[5,5,6]2H)	117.9285	0.927	2	116.6957	4.577	6	116.0531	4.726	8	116.0531	4.726	8	116.0531	4.726	8	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	F	4:4:1:1:	4:4:4:1:	4:	C[5,5,6]-4:C[5,5,6]-4:F-1:H-1:	C[3x5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:	C[5,5](C[5,5,6]C[3x5,6,6]C[5,6]H)2(F)(H)	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]FH)(C[5,6]C[5,6]HH)(H)	F(C[5,5]C[5,5,6]2H)	C[5,5](C[5,5,6]C[3x5,6,6]C[5,6]H)2(F)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]FH)(C[5,6]C[5,6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	F(C[5,5]C[5,5,6]2H)	118.1620	0.164	2	116.6957	4.577	6	116.0531	4.726	8	116.0531	4.726	8	116.0531	4.726	8	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	F	3:4:4:1:	4:3:3:4:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:F-1:	C[5,5]-4:N[5]-3:N[5]-3:C-4:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2C)(C[5]C[5]HH)(F)	C[5,5](C[5,5]C[5,6a]C[5]F)(N[5]C[5,6a]C)(N[5]C[5]C)(CH3)	F(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2C)(C[5]C[5]HH)(F){3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]F)(N[5]C[5,6a]C)(N[5]C[5]C)(CH3){2|C<3>,4|H<1>}	F(C[5,5]C[5,6a]C[5,5]C[5])	109.8530	0.000	1	109.8530	0.000	1	109.8530	0.000	1	109.8530	0.000	1	110.9010	0.911	3	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5,5]	C[5,5]	F	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:F-1:	C[5,5]-4:C[5]-4:C[5]-3:F-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2F)(C[5]N[5]HH)(C[5]N[5]C)(F)	C[5,5](C[5,5]C[5]2F)(C[5]N[5]HH)(C[5]N[5]C)(F)	F(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2F)(C[5]N[5]HH)(C[5]N[5]C)(F){1|C<3>,1|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]2F)(C[5]N[5]HH)(C[5]N[5]C)(F){1|C<3>,1|C<4>,3|H<1>}	F(C[5,5]C[5,5]C[5]2)	111.4250	0.417	2	111.4250	0.174	2	111.4250	0.174	2	111.4250	0.174	2	110.9010	0.911	3	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5,5]	C[5]	F	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:F-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2C)(C[5]C[5]HH)(F)	C[5](C[5,5]C[5,6a]C[5,5]F)(C[5]N[5]HH)(H)2	F(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]2C)(C[5]C[5]HH)(F){3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]F)(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	F(C[5,5]C[5,6a]C[5,5]C[5])	110.0090	0.000	1	110.0090	0.000	1	110.0090	0.000	1	110.0090	0.000	1	111.0159	1.444	7	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5,5]	C[5]	F	4:3:4:1:	4:3:4:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:F-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(N[5,5]O[5]2)(C[5]C[5]HH)(F)	C[5](C[5,5]N[5,5]C[5]F)(C[6a]C[6a]2)(C[5]O[5]CC)(H)	F(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]C[5]H)(N[5,5]O[5]2)(C[5]C[5]HH)(F){1|C<2>,1|H<1>,4|C<3>}	C[5](C[5,5]N[5,5]C[5]F)(C[6a]C[6a]2)(C[5]O[5]CC)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	F(C[5,5]N[5,5]C[5]2)	111.5730	0.000	1	111.6080	0.002	2	111.6080	0.002	2	111.6080	0.002	2	111.0159	1.444	7	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5,5]	C[5]	F	4:3:4:1:	4:3:4:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:F-1:	C[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(N[5,5]O[5]2)(C[5]C[5]HH)(F)	C[5](C[5,5]N[5,5]C[5]F)(C[6a]C[6a]2)(C[5]O[5]CC)(H)	F(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]C[5]H)(N[5,5]O[5]2)(C[5]C[5]HH)(F){1|H<1>,5|C<3>}	C[5](C[5,5]N[5,5]C[5]F)(C[6a]C[6a]2)(C[5]O[5]CC)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	F(C[5,5]N[5,5]C[5]2)	111.6430	0.000	1	111.6080	0.002	2	111.6080	0.002	2	111.6080	0.002	2	111.0159	1.444	7	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5,5]	C[5]	F	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:F-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(N[5,5]O[5]2)(C[5]C[5]HH)(F)	C[5](C[5,5]N[5,5]C[5]F)(C[5]C[6a]O[5]H)(H)2	F(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]C[5]H)(N[5,5]O[5]2)(C[5]C[5]HH)(F){1|H<1>,5|C<3>}	C[5](C[5,5]N[5,5]C[5]F)(C[5]C[6a]O[5]H)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	F(C[5,5]N[5,5]C[5]2)	109.1690	0.000	1	109.1690	0.000	1	109.7520	0.680	2	109.7520	0.680	2	111.0159	1.444	7	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5,5]	C[5]	F	4:3:4:1:	4:4:1:1:	4:	C[5]-4:N[5,5]-3:C[5]-4:F-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5]C[6a]C[5]H)(N[5,5]O[5]2)(C[5]C[5]HH)(F)	C[5](C[5,5]N[5,5]C[5]F)(C[5]O[5]CH)(H)2	F(C[5,5]N[5,5]C[5]2)	C[5,5](C[5]C[6a]C[5]H)(N[5,5]O[5]2)(C[5]C[5]HH)(F){1|C<2>,1|H<1>,4|C<3>}	C[5](C[5,5]N[5,5]C[5]F)(C[5]O[5]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	F(C[5,5]N[5,5]C[5]2)	110.3350	0.000	1	110.3350	0.000	1	109.7520	0.680	2	109.7520	0.680	2	111.0159	1.444	7	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5,5]	C[5]	F	4:4:3:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-3:F-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2F)(C[5]N[5]HH)(C[5]N[5]C)(F)	C[5](C[5,5]C[5,5]C[5]F)(N[5]C[5]C)(H)2	F(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2F)(C[5]N[5]HH)(C[5]N[5]C)(F){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]F)(N[5]C[5]C)(H)2{1|F<1>,1|N<3>,2|C<3>,2|H<1>}	F(C[5,5]C[5,5]C[5]2)	112.1910	0.557	2	112.1910	0.310	2	112.1910	0.310	2	112.1910	0.310	2	111.0159	1.444	7	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,5,6,6]	F	4:4:4:1:	4:4:2:4:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:F-1:	C[5,6,6]-4:C[5,6]-4:O[5,5]-2:C[6]-4:	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[5,5,6,6]HH)(C[6]C[6]HH)(F)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]F)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[6]C[6]HH)	F(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[5,5,6,6]HH)(C[6]C[6]HH)(F){1|C<3>,2|C<4>,5|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]F)(C[5,6]C[5,6,6]HH)(O[5,5]C[5,5,6,6])(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	F(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	109.6290	0.000	1	109.6290	0.000	1	109.6290	0.000	1	109.6290	0.000	1	109.6290	0.000	1	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5,6,6]	C[5,6]	F	4:4:4:1:	4:4:1:1:	4:	C[5,5,6,6]-4:C[5,6]-4:C[6]-4:F-1:	C[5,5,6,6]-4:C[5,6,6]-4:H-1:H-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[5,5,6,6]HH)(C[6]C[6]HH)(F)	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6,6]C[5,5,6,6]C[6]F)(H)2	F(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[5,5,6,6]HH)(C[6]C[6]HH)(F){1|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,5,6,6]C[5,6,6]O[5,5]C[6])(C[5,6,6]C[5,5,6,6]C[6]F)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	F(C[5,6,6]C[5,5,6,6]C[5,6]C[6])	111.3580	0.000	1	111.3580	0.000	1	111.3580	0.000	1	111.3580	0.000	1	111.3580	0.000	1	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	F	4:3:4:1:	4:3:3:1:	4:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:F-1:	C[5,6]-4:N[5,5]-3:N[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(F)	C[5,5,6](C[5,6]C[5,6a]C[6]F)(N[5,5]C[5,6a]C[5])(N[5,6]C[5]C[6])(H)	F(C[5,6]C[5,5,6]C[5,6a]C[6])	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(F){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,5,6](C[5,6]C[5,6a]C[6]F)(N[5,5]C[5,6a]C[5])(N[5,6]C[5]C[6])(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	F(C[5,6]C[5,5,6]C[5,6a]C[6])	107.5600	0.000	1	107.5600	0.000	1	107.5600	0.000	1	107.5600	0.000	1	111.8844	2.694	25	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	F	4:4:1:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,5,6]-4:F-1:F-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,5,6]C[5,6]O[5,5]H)(F)2	C[5,5,6](C[5,6]C[5,5,6]FF)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	F(C[5,6]C[5,5,6]2F)	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,5,6]C[5,6]O[5,5]H)(F)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5,5,6]FF)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|H<1>,1|O<2>,2|C<4>}	F(C[5,6]C[5,5,6]2F)	112.1990	1.288	2	112.1990	1.660	2	112.1990	1.660	2	112.1453	0.289	10	111.8844	2.694	25	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	F	4:4:1:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,6]-4:F-1:F-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CO)(F)2	C[5,5,6](C[5,6]C[5,6]FF)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H)	F(C[5,6]C[5,5,6]C[5,6]F)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CO)(F)2{1|C<3>,1|C<4>,1|H<1>}	C[5,5,6](C[5,6]C[5,6]FF)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(H){1|C<3>,1|O<2>,2|H<1>}	F(C[5,6]C[5,5,6]C[5,6]F)	112.3485	0.370	2	112.3485	0.137	2	112.1319	0.133	8	112.1453	0.289	10	111.8844	2.694	25	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	F	4:4:1:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,6]-4:F-1:F-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CO)(F)2	C[5,5,6](C[5,6]C[5,6]FF)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	F(C[5,6]C[5,5,6]C[5,6]F)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CO)(F)2{1|C<3>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]FF)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){1|C<3>,1|O<2>,2|H<1>}	F(C[5,6]C[5,5,6]C[5,6]F)	112.0597	0.366	6	112.0597	0.134	6	112.1319	0.133	8	112.1453	0.289	10	111.8844	2.694	25	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	F	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:F-1:F-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]O)(C[5,5,6]C[5,6]O[5,5]H)(F)2	C[5,5,6](C[5,6]C[5,5,6]FF)(C[5,6]C[5,5,6]HS)(O[5,5]C[3x5,6])(H)	F(C[5,6]C[5,5,6]2F)	C[5,6](C[5,5,6]C[3x5,6]C[5]O)(C[5,5,6]C[5,6]O[5,5]H)(F)2{1|C<4>,1|O<1>,1|O<2>,1|S<2>,2|H<1>}	C[5,5,6](C[5,6]C[5,5,6]FF)(C[5,6]C[5,5,6]HS)(O[5,5]C[3x5,6])(H){1|C<3>,2|H<1>,2|O<2>}	F(C[5,6]C[5,5,6]2F)	111.6385	2.205	2	111.6385	4.864	2	111.4515	5.600	4	111.8881	5.085	8	111.8844	2.694	25	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	F	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,5,6]-4:F-1:F-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,5,6]C[5,6]O[5,5]H)(F)2	C[5,5,6](C[5,6]C[5,5,6]FF)(C[5,6]C[5,6]HS)(O[5,5]C[5,5,6])(H)	F(C[5,6]C[5,5,6]2F)	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,5,6]C[5,6]O[5,5]H)(F)2{1|C<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[5,5,6]FF)(C[5,6]C[5,6]HS)(O[5,5]C[5,5,6])(H){1|C<3>,1|O<2>,2|C<4>}	F(C[5,6]C[5,5,6]2F)	111.2645	3.434	2	111.2645	11.795	2	111.4515	5.600	4	111.8881	5.085	8	111.8844	2.694	25	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	F	4:4:1:1:	4:4:2:1:	4:	C[5,5,6]-4:C[5,6]-4:F-1:F-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CO)(F)2	C[5,5,6](C[5,6]C[5,6]FF)(C[5,6]C[5,6]HS)(O[5,5]C[5,5,6])(H)	F(C[5,6]C[5,5,6]C[5,6]F)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CO)(F)2{1|H<1>,1|S<2>,2|C<4>}	C[5,5,6](C[5,6]C[5,6]FF)(C[5,6]C[5,6]HS)(O[5,5]C[5,5,6])(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	F(C[5,6]C[5,5,6]C[5,6]F)	111.9265	3.275	2	111.9265	10.723	2	111.9265	10.723	2	111.8881	5.085	8	111.8844	2.694	25	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	F	4:4:1:1:	4:4:2:1:	4:	C[5,6,6]-4:C[5,5,6]-4:F-1:F-1:	C[5,6]-4:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]O[6]C)(C[5,5,6]C[5,6]O[5,5]H)(F)2	C[5,5,6](C[5,6]C[5,6,6]FF)(C[5,6]C[5,6,6]HS)(O[5,5]C[5,5,6,6])(H)	F(C[5,6]C[5,5,6]C[5,6,6]F)	C[5,6](C[5,6,6]C[5,5,6,6]O[6]C)(C[5,5,6]C[5,6]O[5,5]H)(F)2{1|C<3>,1|H<1>,1|S<2>,2|C<4>}	C[5,5,6](C[5,6]C[5,6,6]FF)(C[5,6]C[5,6,6]HS)(O[5,5]C[5,5,6,6])(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	F(C[5,6]C[5,5,6]C[5,6,6]F)	112.7230	2.431	2	112.7230	5.910	2	112.7230	5.910	2	111.8881	5.085	8	111.8844	2.694	25	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	F	4:4:1:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5,5,6]-4:F-1:F-1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[3x5,6]C[5]O)(C[5,5,6]C[5,6]O[5,5]H)(F)2	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]FF)(C[5]O[5]O)(OC)	F(C[5,6]C[5,5,6]2F)	C[5,6](C[5,5,6]C[3x5,6]C[5]O)(C[5,5,6]C[5,6]O[5,5]H)(F)2{1|C<4>,1|O<1>,1|O<2>,1|S<2>,2|H<1>}	C[5,5,6](C[3x5,6]C[5,5,6]O[5,5]H)(C[5,6]C[5,5,6]FF)(C[5]O[5]O)(OC){1|C<4>,2|H<1>}	F(C[5,6]C[5,5,6]2F)	111.9075	1.286	2	111.9075	1.654	2	111.9075	1.654	2	111.9075	1.654	2	111.8844	2.694	25	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	F	4:4:1:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5,5,6]-4:F-1:F-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,5,6]C[5,6]O[5,5]H)(F)2	C[5,5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]FF)(C[5]O[5]HH)(O[5]C[5])	F(C[5,6]C[5,5,6]2F)	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,5,6]C[5,6]O[5,5]H)(F)2{1|C<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]FF)(C[5]O[5]HH)(O[5]C[5]){1|C<3>,1|H<1>,3|C<4>}	F(C[5,6]C[5,5,6]2F)	112.1715	1.411	2	112.2943	1.587	4	112.2943	1.587	4	112.2943	1.587	4	111.8844	2.694	25	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5,6]	C[5,5,6]	F	4:4:1:1:	4:4:4:2:	4:	C[5,5,6]-4:C[5,5,6]-4:F-1:F-1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:O[5]-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,5,6]C[5,6]O[5,5]H)(F)2	C[5,5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]FF)(C[5]O[5]HH)(O[5]C[5])	F(C[5,6]C[5,5,6]2F)	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,5,6]C[5,6]O[5,5]H)(F)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]FF)(C[5]O[5]HH)(O[5]C[5]){1|C<3>,2|C<4>,2|H<1>}	F(C[5,6]C[5,5,6]2F)	112.4170	1.646	2	112.2943	1.587	4	112.2943	1.587	4	112.2943	1.587	4	111.8844	2.694	25	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5,6]	C[5,6,6]	F	4:4:1:1:	4:4:2:3:	4:	C[5,6,6]-4:C[5,5,6]-4:F-1:F-1:	C[5,5,6,6]-4:C[5,6]-4:O[6]-2:C-3:	C[5,6]-4:	C[5,6](C[5,6,6]C[5,5,6,6]O[6]C)(C[5,5,6]C[5,6]O[5,5]H)(F)2	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]C)(C[5,6]C[5,5,6]FF)(O[6]C[6])(COO)	F(C[5,6]C[5,5,6]C[5,6,6]F)	C[5,6](C[5,6,6]C[5,5,6,6]O[6]C)(C[5,5,6]C[5,6]O[5,5]H)(F)2{1|C<3>,1|H<1>,1|S<2>,2|C<4>}	C[5,6,6](C[5,5,6,6]C[5,6,6]O[5,5]C)(C[5,6]C[5,5,6]FF)(O[6]C[6])(COO){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	F(C[5,6]C[5,5,6]C[5,6,6]F)	111.0310	0.127	2	111.0310	0.016	2	111.0310	0.016	2	111.0310	0.016	2	111.0310	0.016	2	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	F	4:3:3:1:	4:4:3:1:	4:	C[5,6]-4:C[6]-3:C[5]-3:F-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	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[5,6](C[5,6]C[5]C[6]F)(C[6]C[6]HH)(C[5]C[5]H)(H)	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[5,6](C[5,6]C[5]C[6]F)(C[6]C[6]HH)(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<3>,2|F<1>}	F(C[5,6]C[5,6]C[5]C[6])	110.9990	0.700	2	110.9990	0.490	2	110.9990	0.490	2	110.9990	0.490	2	111.8903	0.890	12	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	F	4:4:1:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5,6]-4:F-1:F-1:	C[5,5,6]-4:C[5,6]-4:C-3:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CO)(F)2	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]FF)(COO)(OC)	F(C[5,6]C[5,5,6]C[5,6]F)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CO)(F)2{1|H<1>,1|S<2>,2|C<4>}	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]FF)(COO)(OC){1|C<4>,1|O<2>,2|H<1>}	F(C[5,6]C[5,5,6]C[5,6]F)	112.0840	2.147	2	112.0840	4.609	2	112.0686	0.821	10	112.0686	0.821	10	111.8903	0.890	12	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	F	4:4:1:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5,6]-4:F-1:F-1:	C[5,5,6]-4:C[5,6]-4:C-3:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CO)(F)2	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]FF)(COO)(OC)	F(C[5,6]C[5,5,6]C[5,6]F)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CO)(F)2{1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]FF)(COO)(OC){1|C<3>,2|H<1>}	F(C[5,6]C[5,5,6]C[5,6]F)	111.9745	0.187	2	112.0648	0.398	8	112.0686	0.821	10	112.0686	0.821	10	111.8903	0.890	12	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5,6]	C[5,6]	F	4:4:1:1:	4:4:3:2:	4:	C[5,5,6]-4:C[5,6]-4:F-1:F-1:	C[5,5,6]-4:C[5,6]-4:C-3:O-2:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CO)(F)2	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]FF)(COO)(OC)	F(C[5,6]C[5,5,6]C[5,6]F)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CO)(F)2{1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]FF)(COO)(OC){1|C<3>,2|H<1>}	F(C[5,6]C[5,5,6]C[5,6]F)	112.0948	0.738	6	112.0648	0.398	8	112.0686	0.821	10	112.0686	0.821	10	111.8903	0.890	12	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5,5]	F	4:3:1:1:	3:3:3:4:	4:	C[5,5]-4:C[5]-3:F-1:F-1:	C[5]-3:C[5,5]-3:C[6a]-3:C[5]-4:	C[5]-4:	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(F)2	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]C[5]FF)	F(C[5]C[5,5]C[5]F)	C[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[6a]C[5])(F)2{8|C<3>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(C[6a]C[6a]2)(C[5]C[5]FF){2|H<1>,8|C<3>}	F(C[5]C[5,5]C[5]F)	112.2435	3.125	2	112.2435	9.764	2	112.2435	9.764	2	112.2435	9.764	2	111.3335	3.543	16	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5,5]	F	4:3:1:1:	3:3:4:3:	4:	C[5,5]-4:C[5,6a]-3:F-1:F-1:	N[5,5]-3:C[5,5]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(F)2	C[5,5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[3x5]N[5])(C[5]C[5,6a]FF)(C[6a]C[6a]2)	F(C[5]C[5,6a]C[5,5]F)	C[5](C[5,5]C[5,5]N[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(F)2{1|H<1>,1|N<2>,2|C<4>,4|C<3>}	C[5,5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[3x5]N[5])(C[5]C[5,6a]FF)(C[6a]C[6a]2){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	F(C[5]C[5,6a]C[5,5]F)	111.3080	2.814	2	111.3080	7.920	2	111.7497	1.899	6	111.7497	1.899	6	111.3335	3.543	16	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5,5]	F	4:3:1:1:	3:3:4:3:	4:	C[5,5]-4:C[5,6a]-3:F-1:F-1:	N[5,5]-3:C[5,5]-3:C[5]-4:C[6a]-3:	C[5]-4:	C[5](C[5,5]C[5,5]N[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(F)2	C[5,5](N[5,5]C[5,6a]C[5])(C[5,5]C[5,5]N[5])(C[5]C[5,6a]FF)(C[6a]C[6a]2)	F(C[5]C[5,6a]C[5,5]F)	C[5](C[5,5]C[5,5]N[5,5]C[6a])(C[5,6a]C[5,6a]C[6a])(F)2{1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5,5]C[5,5]N[5])(C[5]C[5,6a]FF)(C[6a]C[6a]2){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	F(C[5]C[5,6a]C[5,5]F)	111.9705	0.574	4	111.9705	0.330	4	111.7497	1.899	6	111.7497	1.899	6	111.3335	3.543	16	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5,5]	F	4:4:1:1:	3:4:3:3:	4:	C[5,5]-4:C[5]-4:F-1:F-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]N[5]O)(F)2	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]FF)(C[5]N[5]O)(N[5]S[5]H)	F(C[5]C[5,5]C[5]F)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]N[5]O)(F)2{1|C<4>,1|H<1>,1|O<1>,1|S<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]FF)(C[5]N[5]O)(N[5]S[5]H){1|C<4>,1|H<1>,1|O<2>,2|O<1>,3|C<3>}	F(C[5]C[5,5]C[5]F)	111.0140	1.550	2	111.0140	2.402	2	111.0140	2.402	2	111.0140	2.402	2	111.3335	3.543	16	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5,5]	F	4:4:1:1:	4:4:2:2:	4:	C[5,6,6]-4:C[5,5]-4:F-1:H-1:	C[5,5,6,6]-4:C[5]-4:O[5]-2:O-2:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,5,6,6]O[5]O)(F)(H)	C[5,5](C[5,5,6,6]C[5,3x6]C[5,6,6]H)(C[5]C[5,6,6]FH)(O[5]C[5])(OH)	F(C[5]C[5,6,6]C[5,5]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,5,6,6]O[5]O)(F)(H){4|C<4>,4|H<1>}	C[5,5](C[5,5,6,6]C[5,3x6]C[5,6,6]H)(C[5]C[5,6,6]FH)(O[5]C[5])(OH){2|C<3>,3|C<4>,3|H<1>}	F(C[5]C[5,6,6]C[5,5]H)	112.1650	0.000	1	112.1650	0.000	1	112.1650	0.000	1	112.1650	0.000	1	111.3335	3.543	16	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5,5]	F	4:4:1:1:	4:4:2:4:	4:	C[5,6,6]-4:C[5,5]-4:F-1:F-1:	C[5,5,6,6]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,5,6,6]O[5]C)(F)2	C[5,5](C[5,5,6,6]C[5,3x6]C[5,6,6]H)(C[5]C[5,6,6]FF)(O[5]C[5])(CH3)	F(C[5]C[5,6,6]C[5,5]F)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,5,6,6]O[5]C)(F)2{4|C<4>,4|H<1>}	C[5,5](C[5,5,6,6]C[5,3x6]C[5,6,6]H)(C[5]C[5,6,6]FF)(O[5]C[5])(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	F(C[5]C[5,6,6]C[5,5]F)	110.7965	3.006	2	110.7965	9.036	2	110.7965	9.036	2	110.7965	9.036	2	111.3335	3.543	16	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5,5]	F	4:4:1:1:	4:4:4:1:	4:	C[5,5]-4:C[5]-4:F-1:F-1:	C[5,5]-4:C[5,5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]2H)(C[5]C[6a]C[5]O)(F)2	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]FF)(H)	F(C[5]C[5,5]C[5]F)	C[5](C[5,5]C[5,5]2H)(C[5]C[6a]C[5]O)(F)2{2|C<4>,3|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]FF)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	F(C[5]C[5,5]C[5]F)	111.2905	2.658	2	111.2905	7.065	2	111.2905	7.065	2	111.2905	7.065	2	111.3335	3.543	16	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5,5]	F	4:4:1:1:	4:4:4:2:	4:	C[5,5]-4:C[5]-4:F-1:H-1:	C[5,5]-4:C[5]-4:C[5]-4:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[6a]O[5]H)(F)(H)	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]C[3,5]HH)(C[5]C[5]FH)(OH)	F(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[6a]O[5]H)(F)(H){2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[3,5]O[5]H)(C[5]C[3,5]HH)(C[5]C[5]FH)(OH){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	F(C[5]C[5,5]C[5]H)	107.9840	0.000	1	107.9840	0.000	1	107.9840	0.000	1	107.9840	0.000	1	111.3335	3.543	16	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	F	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5]-4:F-1:F-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,5,6,6]O[5]C)(F)2	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]C[5,5]FF)(H)	F(C[5]C[5,6,6]C[5,5]F)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,5,6,6]O[5]C)(F)2{4|C<4>,4|H<1>}	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]C[5,5]FF)(H){1|O<2>,3|C<4>,4|H<1>}	F(C[5]C[5,6,6]C[5,5]F)	112.5310	4.247	2	112.5310	18.036	2	112.5310	18.036	2	113.0580	9.851	3	113.0580	9.851	3	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5,6,6]	F	4:4:1:1:	4:4:4:1:	4:	C[5,6,6]-4:C[5,5]-4:F-1:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,5,6,6]O[5]O)(F)(H)	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]C[5,5]FH)(H)	F(C[5]C[5,6,6]C[5,5]H)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5,5]C[5,5,6,6]O[5]O)(F)(H){4|C<4>,4|H<1>}	C[5,6,6](C[5,3x6]C[5,5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(C[5]C[5,5]FH)(H){2|C<4>,2|O<2>,4|H<1>}	F(C[5]C[5,6,6]C[5,5]H)	114.1120	0.000	1	114.1120	0.000	1	114.1120	0.000	1	113.0580	9.851	3	113.0580	9.851	3	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5,6]	F	4:3:1:1:	2:2:4:3:	4:	C[5,6]-4:N[5]-3:F-1:F-1:	O[5,6]-2:O[6]-2:C[5]-4:C-3:	C[5]-4:	C[5](C[5,6]O[5,6]O[6]C)(N[5]C[5,6]C[6a])(F)2	C[5,6](O[5,6]C[5,6])(O[6]C[6,6a])(C[5]N[5]FF)(CCC)	F(C[5]C[5,6]N[5]F)	C[5](C[5,6]O[5,6]O[6]C)(N[5]C[5,6]C[6a])(F)2{1|H<1>,4|C<3>}	C[5,6](O[5,6]C[5,6])(O[6]C[6,6a])(C[5]N[5]FF)(CCC){1|H<1>,3|C<3>}	F(C[5]C[5,6]N[5]F)	111.7880	0.874	2	111.7880	0.764	2	111.7880	0.764	2	111.7880	0.764	2	111.2204	6.618	8	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5,6]	F	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:F-1:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(F)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]FH)(C[6]C[6]HH)(H)	F(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(F)(H){1|S<4>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]FH)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,6|H<1>}	F(C[5]C[5,6]C[5]H)	111.0740	0.000	1	111.0740	0.000	1	111.0740	0.000	1	112.1646	1.540	5	111.2204	6.618	8	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5,6]	F	4:4:1:1:	4:4:4:1:	4:	C[5,6]-4:C[5]-4:F-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(F)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]FH)(H)	F(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(F)(H){1|C<3>,2|H<1>,4|C<4>}	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]FH)(H){1|O<1>,4|C<4>,6|H<1>}	F(C[5]C[5,6]C[5]H)	112.4373	1.248	4	112.4373	1.558	4	112.4373	1.558	4	112.1646	1.540	5	111.2204	6.618	8	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5,6]	F	4:4:4:1:	4:4:4:2:	4:	C[5,6]-4:C[5]-4:C-4:F-1:	C[5,6]-4:C[5]-4:C[6]-4:O-2:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,5,6]HH)(CH3)(F)	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]CF)(C[6]C[6]HH)(OC)	F(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,5,6]HH)(CH3)(F){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,5,6]HH)(C[5]C[5]CF)(C[6]C[6]HH)(OC){2|C<4>,4|H<1>}	F(C[5]C[5,6]C[5]C)	105.3640	0.000	1	105.3640	0.000	1	105.3640	0.000	1	105.3640	0.000	1	111.2204	6.618	8	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	3:4:1:1:	3:4:1:1:	4:	C[5,6a]-3:C[5]-4:F-1:F-1:	C[5]-3:C[5]-4:F-1:F-1:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]FF)(F)2	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]FF)(F)2	F(C[5]C[5,6a]C[5]F)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]FF)(F)2{4|C<3>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]FF)(F)2{1|C<4>,3|C<3>}	F(C[5]C[5,6a]C[5]F)	109.7740	0.061	2	109.7740	0.004	2	109.7740	0.004	2	109.3455	0.565	4	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	3:4:1:1:	3:4:1:1:	4:	C[5]-3:C[5]-4:F-1:F-1:	C[5,6a]-3:C[5]-4:F-1:F-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]FF)(F)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]FF)(F)2	F(C[5]C[5]2F)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]FF)(F)2{1|C<4>,3|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]FF)(F)2{4|C<3>}	F(C[5]C[5]2F)	108.9170	0.979	2	108.9170	0.958	2	108.9170	0.958	2	109.3455	0.565	4	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	3:4:1:1:	4:3:1:1:	4:	C[5]-3:C[5]-4:F-1:F-1:	C[5]-4:C[5]-3:F-1:F-1:	C[5]-4:	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5]C[5]FF)(C[5]C[5]O)(F)2	F(C[5]C[5]2F)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{1|O<1>,3|C<3>}	C[5](C[5]C[5]FF)(C[5]C[5]O)(F)2{2|C<3>}	F(C[5]C[5]2F)	110.6445	3.402	2	110.6445	11.573	2	110.6445	11.573	2	110.6445	11.573	2	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	3:4:1:1:	4:3:3:2:	4:	C[5,6a]-3:C[5]-4:F-1:F-1:	C[5]-4:N[5]-3:C[6a]-3:O-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]O)(F)2	C[5](C[5]C[5,6a]FF)(N[5]C[5,6a]C)(C[6a]C[6a]2)(OH)	F(C[5]C[5,6a]C[5]F)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]O)(F)2{1|C<4>,1|H<1>,4|C<3>}	C[5](C[5]C[5,6a]FF)(N[5]C[5,6a]C)(C[6a]C[6a]2)(OH){2|H<1>,4|C<3>}	F(C[5]C[5,6a]C[5]F)	110.6665	1.822	2	110.6665	3.320	2	110.6665	3.320	2	110.6665	3.320	2	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	3:4:1:1:	4:4:1:1:	4:	C[5,5]-3:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(F)(H)	C[5](C[5]C[5,5]FH)(C[5]N[5,5]CH)(H)2	F(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(F)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5,5]FH)(C[5]N[5,5]CH)(H)2{1|C<3>,1|N<2>}	F(C[5]C[5,5]C[5]H)	110.7765	0.718	2	110.7765	0.515	2	110.7335	0.174	4	110.3044	2.006	385	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	3:4:1:1:	4:4:1:1:	4:	C[5,5]-3:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(F)(H)	C[5](C[5]C[5,5]FH)(C[5]N[5,5]HH)(H)2	F(C[5]C[5,5]C[5]H)	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(F)(H){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5,5]FH)(C[5]N[5,5]HH)(H)2{1|C<3>,1|N<2>}	F(C[5]C[5,5]C[5]H)	110.6905	0.009	2	110.6905	0.000	2	110.7335	0.174	4	110.3044	2.006	385	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:F-1:F-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5](C[5,6]C[5,6]2)(C[5]C[5]FF)(F)2	C[5](C[5]C[5,6]FF)2(F)2	F(C[5]C[5,6]C[5]F)	C[5](C[5,6]C[5,6]2)(C[5]C[5]FF)(F)2{1|C<4>,1|H<1>,2|C<3>,2|F<1>}	C[5](C[5]C[5,6]FF)2(F)2{1|C<3>,1|C<4>}	F(C[5]C[5,6]C[5]F)	110.6700	0.037	2	109.7079	1.380	41	109.7167	1.374	43	110.3044	2.006	385	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:F-1:F-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5](C[5,6]C[5,6]2)(C[5]C[5]FF)(F)2	C[5](C[5]C[5,6]FF)2(F)2	F(C[5]C[5,6]C[5]F)	C[5](C[5,6]C[5,6]2)(C[5]C[5]FF)(F)2{1|C<4>,2|C<3>,2|F<1>}	C[5](C[5]C[5,6]FF)2(F)2{2|C<3>}	F(C[5]C[5,6]C[5]F)	109.6585	1.184	39	109.7079	1.380	41	109.7167	1.374	43	110.3044	2.006	385	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	3:4:1:1:	4:4:1:1:	4:	C[5,6]-3:C[5]-4:F-1:F-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5](C[5,6]C[5a,6]C[5,6])(C[5]C[5]FF)(F)2	C[5](C[5]C[5,6]FF)2(F)2	F(C[5]C[5,6]C[5]F)	C[5](C[5,6]C[5a,6]C[5,6])(C[5]C[5]FF)(F)2{1|C<4>,2|C<3>,2|F<1>}	C[5](C[5]C[5,6]FF)2(F)2{1|C<3>,1|C<4>}	F(C[5]C[5,6]C[5]F)	109.8985	1.558	2	109.8985	2.427	2	109.7167	1.374	43	110.3044	2.006	385	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:F-1:F-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]FF)(F)2	C[5](C[5]C[5,6a]FF)2(F)2	F(C[5]C[5,6a]C[5]F)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5](C[5]C[5,6a]FF)2(F)2{2|C<3>}	F(C[5]C[5,6a]C[5]F)	109.8893	0.640	6	109.8893	0.410	6	110.0503	1.139	16	110.3044	2.006	385	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:F-1:F-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]FF)(F)2	C[5](C[5]C[5,6a]FF)2(F)2	F(C[5]C[5,6a]C[5]F)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5](C[5]C[5,6a]FF)2(F)2{2|C<3>}	F(C[5]C[5,6a]C[5]F)	110.1468	1.282	10	110.1468	1.643	10	110.0503	1.139	16	110.3044	2.006	385	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:F-1:F-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5]C[5]FF)2(F)2	F(C[5]C[5]2F)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{1|N<2>,2|C<3>,2|F<1>}	C[5](C[5]C[5]FF)2(F)2{2|C<3>}	F(C[5]C[5]2F)	110.1735	1.244	26	110.3881	2.123	312	110.3902	2.105	322	110.3044	2.006	385	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:F-1:F-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5]C[5]FF)2(F)2	F(C[5]C[5]2F)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{1|S<2>,2|C<3>,2|F<1>}	C[5](C[5]C[5]FF)2(F)2{2|C<3>}	F(C[5]C[5]2F)	110.3782	1.208	18	110.3881	2.123	312	110.3902	2.105	322	110.3044	2.006	385	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:F-1:F-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5]C[5]FF)2(F)2	F(C[5]C[5]2F)	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5](C[5]C[5]FF)2(F)2{2|C<3>}	F(C[5]C[5]2F)	110.4096	1.493	268	110.3881	2.123	312	110.3902	2.105	322	110.3044	2.006	385	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	3:4:1:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:F-1:F-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]FF)(F)2	C[5](C[5]C[5]FF)2(F)2	F(C[5]C[5]2F)	C[5](C[5]C[6a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	C[5](C[5]C[5]FF)2(F)2{2|C<3>}	F(C[5]C[5]2F)	110.4538	1.320	10	110.4538	1.743	10	110.3902	2.105	322	110.3044	2.006	385	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	3:4:1:1:	4:4:4:1:	4:	C[5,6a]-3:C[5]-4:F-1:F-1:	C[5]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(F)2	C[5](C[5]C[5,6a]FF)(C[5]C[5,6a]HH)(C[6]C[6]2H)(H)	F(C[5]C[5,6a]C[5]F)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C[6]H)(F)2{1|F<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6a]FF)(C[5]C[5,6a]HH)(C[6]C[6]2H)(H){2|C<3>,2|C<4>,4|H<1>}	F(C[5]C[5,6a]C[5]F)	112.0670	0.407	2	112.0670	0.166	2	112.0670	0.166	2	112.0670	0.166	2	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	3:4:3:1:	3:4:3:2:	4:	C[5,6a]-3:C[5]-4:C[5]-3:F-1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(F)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]F)(C[5]N[5]O)(OH)	F(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5]N[5]O)(F){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]F)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	F(C[5]C[5,6a]C[5]2)	107.3500	0.000	1	107.3500	0.000	1	107.3500	0.000	1	107.3500	0.000	1	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	3:4:3:1:	4:3:3:3:	4:	C[5,6a]-3:C[5]-4:C[5]-3:F-1:	C[5]-4:C[5]-3:C[5]-3:N-3:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2N)(C[5]N[5]O)(F)	C[5](C[5]C[5,6a]C[5]F)(C[5]N[5]C)(C[5]N[5]O)(NC[6a]H)	F(C[5]C[5,6a]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2N)(C[5]N[5]O)(F){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]C[5]F)(C[5]N[5]C)(C[5]N[5]O)(NC[6a]H){1|N<3>,1|O<1>,3|C<3>}	F(C[5]C[5,6a]C[5]2)	107.6900	0.000	1	107.6900	0.000	1	107.6900	0.000	1	107.6900	0.000	1	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	3:4:3:1:	4:4:1:1:	4:	C[5]-3:C[5]-4:C-3:F-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(COO)(F)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CF)(H)2	F(C[5]C[5]2C)	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(COO)(F){1|C<4>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CF)(H)2{1|N<3>,1|O<1>,2|C<3>}	F(C[5]C[5]2C)	109.9355	0.260	2	109.9355	0.067	2	109.9355	0.067	2	109.9355	0.067	2	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	3:4:4:1:	4:3:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:F-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(C[5]N[5]CH)(F)	C[5](C[5]C[6a]C[5]F)(N[5]C[5]H)(COO)(H)	F(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(C[5]N[5]CH)(F){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]F)(N[5]C[5]H)(COO)(H){1|N<2>,2|H<1>,3|C<3>}	F(C[5]C[6a]C[5]2)	106.1290	0.000	1	106.1290	0.000	1	106.1290	0.000	1	106.1290	0.000	1	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	3:4:4:1:	4:4:3:1:	4:	C[6a]-3:C[5]-4:C[5]-4:F-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(C[5]N[5]CH)(F)	C[5](C[5]C[6a]C[5]F)(C[5]C[6a]N[5]H)(COO)(H)	F(C[5]C[6a]C[5]2)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(C[5]N[5]CH)(F){3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]F)(C[5]C[6a]N[5]H)(COO)(H){1|N<2>,2|H<1>,4|C<3>}	F(C[5]C[6a]C[5]2)	109.7220	0.000	1	109.7220	0.000	1	109.7220	0.000	1	109.7220	0.000	1	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:2:1:1:	3:4:3:1:	4:	C[5]-4:O[5]-2:F-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(F)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]FH)(C[5]N[5]C)(H)	F(C[5]C[5]O[5]H)	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(F)(H){1|O<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]FH)(C[5]N[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	F(C[5]C[5]O[5]H)	110.3790	0.506	2	110.3790	0.256	2	110.3790	0.256	2	110.3790	0.256	2	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:2:4:1:	3:4:4:1:	4:	C[5]-4:O[5]-2:C-4:F-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(F)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CF)(H)	F(C[5]C[5]O[5]C)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(F){1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CF)(H){1|O<1>,2|C<3>,2|H<1>}	F(C[5]C[5]O[5]C)	108.5570	0.000	1	108.5570	0.000	1	108.5570	0.000	1	108.5570	0.000	1	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:F-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(F)	C[5](C[5]C[5]FH)(C[5]O[5]CF)(OH)(H)	F(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(F){1|F<1>,1|N<3>,2|H<1>}	C[5](C[5]C[5]FH)(C[5]O[5]CF)(OH)(H){1|H<1>,1|N<3>}	F(C[5]C[5]O[5]C)	107.6390	0.000	1	107.6390	0.000	1	108.0567	0.133	3	108.0567	0.133	3	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:F-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(F)	C[5](C[5]C[5]HO)(C[5]O[5]CF)(OH)(H)	F(C[5]C[5]O[5]C)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(F){1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CF)(OH)(H){1|H<1>,1|N<3>}	F(C[5]C[5]O[5]C)	108.2655	0.063	2	108.2655	0.004	2	108.0567	0.133	3	108.0567	0.133	3	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:3:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:F-1:F-1:	C[5]-3:C[5]-4:F-1:F-1:	C[5]-4:	C[5](C[5]C[5]FF)(C[5]C[5]O)(F)2	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	F(C[5]C[5]2F)	C[5](C[5]C[5]FF)(C[5]C[5]O)(F)2{2|C<3>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{1|O<1>,3|C<3>}	F(C[5]C[5]2F)	112.0285	2.610	2	112.0285	6.812	2	112.0285	6.812	2	112.0285	6.812	2	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:F-1:F-1:	C[5]-4:C[5]-3:F-1:F-1:	C[5]-4:	C[5](C[5]C[5]FF)(C[5]C[5]C)(F)2	C[5](C[5]C[5]FF)(C[5]C[5]C)(F)2	F(C[5]C[5]2F)	C[5](C[5]C[5]FF)(C[5]C[5]C)(F)2{1|C<3>,1|F<1>}	C[5](C[5]C[5]FF)(C[5]C[5]C)(F)2{1|C<3>,1|F<1>}	F(C[5]C[5]2F)	110.2537	1.796	4	110.2537	3.226	4	110.7934	1.742	8	111.0887	1.744	10	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:F-1:F-1:	C[5]-4:C[5]-3:F-1:F-1:	C[5]-4:	C[5](C[5]C[5]FF)(C[5]C[5]C)(F)2	C[5](C[5]C[5]FF)(C[5]C[5]O)(F)2	F(C[5]C[5]2F)	C[5](C[5]C[5]FF)(C[5]C[5]C)(F)2{1|F<1>,1|O<1>}	C[5](C[5]C[5]FF)(C[5]C[5]O)(F)2{1|C<3>,1|F<1>}	F(C[5]C[5]2F)	111.3690	0.180	2	111.3690	0.032	2	110.7934	1.742	8	111.0887	1.744	10	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:F-1:F-1:	C[5]-4:C[5]-3:F-1:F-1:	C[5]-4:	C[5](C[5]C[5]FF)(C[5]C[5]O)(F)2	C[5](C[5]C[5]FF)(C[5]C[5]C)(F)2	F(C[5]C[5]2F)	C[5](C[5]C[5]FF)(C[5]C[5]O)(F)2{1|C<3>,1|F<1>}	C[5](C[5]C[5]FF)(C[5]C[5]C)(F)2{1|F<1>,1|O<1>}	F(C[5]C[5]2F)	111.2970	0.392	2	111.2970	0.153	2	110.7934	1.742	8	111.0887	1.744	10	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:3:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-3:F-1:F-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(F)2	C[5](C[5]C[5]FF)(C[5]C[5]S)(H)2	F(C[5]C[5]2F)	C[5](C[5]C[5]HH)(C[5]C[5]O)(F)2{1|C<3>,1|S<2>}	C[5](C[5]C[5]FF)(C[5]C[5]S)(H)2{1|C<3>,1|O<1>}	F(C[5]C[5]2F)	112.2700	0.112	2	112.2700	0.012	2	112.2700	0.012	2	111.0887	1.744	10	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:F-1:F-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5](C[5]C[5]FF)(C[5]C[5]2)(F)2	C[5](C[5]C[5]FF)2(F)2	F(C[5]C[5]2F)	C[5](C[5]C[5]FF)(C[5]C[5]2)(F)2{1|S<2>,2|C<3>,2|F<1>}	C[5](C[5]C[5]FF)2(F)2{2|C<3>}	F(C[5]C[5]2F)	110.6000	0.494	4	110.6000	0.244	4	110.9372	0.266	12	111.2185	0.923	14	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:F-1:F-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5](C[5]C[5]FF)(C[5]C[5]O)(F)2	C[5](C[5]C[5]FF)2(F)2	F(C[5]C[5]2F)	C[5](C[5]C[5]FF)(C[5]C[5]O)(F)2{1|O<2>,2|F<1>}	C[5](C[5]C[5]FF)2(F)2{2|O<2>}	F(C[5]C[5]2F)	111.1058	0.465	8	111.1058	0.216	8	110.9372	0.266	12	111.2185	0.923	14	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:3:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:F-1:F-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(F)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]FF)(H)2	F(C[5]C[5]2F)	C[5](C[5]C[5]HH)(C[5]C[5]O)(F)2{1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]FF)(H)2{1|O<2>,3|C<3>}	F(C[5]C[5]2F)	112.9065	1.556	2	112.9065	2.422	2	112.9065	2.422	2	111.2185	0.923	14	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:F-1:F-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]H)(F)2	C[5](C[5]N[6a]C[5]H)(C[5]C[5]FF)(CHHO)(H)	F(C[5]C[5]2F)	C[5](C[5]C[5]CH)(C[5]C[5]H)(F)2{1|N<3>,2|H<1>}	C[5](C[5]N[6a]C[5]H)(C[5]C[5]FF)(CHHO)(H){2|C<3>,2|H<1>}	F(C[5]C[5]2F)	111.9695	0.644	2	111.9695	0.415	2	112.5385	0.609	4	112.5385	0.609	4	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:3:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-3:F-1:F-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]O)(F)2	C[5](C[5]C[5]FF)(C[5]N[5]HH)(CC[5a]HH)(H)	F(C[5]C[5]2F)	C[5](C[5]C[5]CH)(C[5]N[5]O)(F)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]FF)(C[5]N[5]HH)(CC[5a]HH)(H){1|C<3>,1|O<1>}	F(C[5]C[5]2F)	113.1075	0.340	2	113.1075	0.116	2	112.5385	0.609	4	112.5385	0.609	4	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:3:2:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:S-2:F-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]O)(SC[6a])(F)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]FS)(H)2	F(C[5]C[5]2S)	C[5](C[5]C[5]HH)(C[5]O[5]O)(SC[6a])(F){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]C[5]FS)(H)2{1|O<1>,2|C<3>}	F(C[5]C[5]2S)	113.0050	0.000	1	113.0050	0.000	1	113.0050	0.000	1	113.0050	0.000	1	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:3:3:1:	3:3:4:1:	4:	C[5]-4:C[5]-3:C-3:F-1:	C[5,6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(COO)(F)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CF)(H)	F(C[5]C[5]2C)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(COO)(F){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]CF)(H){1|O<1>,3|H<1>,4|C<3>}	F(C[5]C[5]2C)	110.6590	0.000	1	110.6590	0.000	1	110.6590	0.000	1	110.6590	0.000	1	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:3:3:1:	3:4:1:1:	4:	C[5]-4:C[5]-3:C[6a]-3:F-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)(F)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]F)(H)2	F(C[5]C[6a]C[5]2)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)(F){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]F)(H)2{1|H<1>,1|O<1>,4|C<3>}	F(C[5]C[6a]C[5]2)	110.7040	0.000	1	110.7040	0.000	1	110.7040	0.000	1	110.7040	0.000	1	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:3:3:1:	3:4:3:3:	4:	C[5]-4:C[5]-3:C[5]-3:F-1:	C[5,6a]-3:C[5]-4:C[5]-3:N-3:	C[5]-4:	C[5](C[5]C[5,6a]C[5]N)(C[5]C[6a]N[5])(C[5]N[5]O)(F)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(C[5]N[5]O)(NCH)	F(C[5]C[5]3)	C[5](C[5]C[5,6a]C[5]N)(C[5]C[6a]N[5])(C[5]N[5]O)(F){1|N<3>,1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	F(C[5]C[5]3)	107.6590	0.000	1	107.6590	0.000	1	107.6590	0.000	1	107.6590	0.000	1	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:3:3:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-3:F-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(COO)(F)	C[5](C[5]C[5]CF)(C[5]N[5]HH)(H)2	F(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]O)(COO)(F){3|H<1>}	C[5](C[5]C[5]CF)(C[5]N[5]HH)(H)2{1|H<1>,1|O<1>}	F(C[5]C[5]2C)	112.2920	0.000	1	112.2920	0.000	1	112.2920	0.000	1	112.2920	0.000	1	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:3:4:1:	3:4:4:1:	4:	C[5]-4:C[5]-3:S-4:F-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]H)(SC[6a]OO)(F)	C[5](C[6a]C[6a]2)(C[5]C[5]FS)(C[5]N[5]CH)(H)	F(C[5]C[5]2S)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]H)(SC[6a]OO)(F){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]FS)(C[5]N[5]CH)(H){1|O<1>,2|C<3>,3|H<1>}	F(C[5]C[5]2S)	111.8900	0.000	1	111.8900	0.000	1	111.8900	0.000	1	111.8900	0.000	1	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:3:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-3:C-4:F-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(F)	C[5](C[5]C[5]CF)(C[5]O[5]CH)(OH)(H)	F(C[5]C[5]2C)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(F){1|C<4>,1|H<1>}	C[5](C[5]C[5]CF)(C[5]O[5]CH)(OH)(H){1|O<1>}	F(C[5]C[5]2C)	107.3090	0.574	2	107.3090	0.330	2	107.3090	0.330	2	107.3090	0.330	2	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	3:3:4:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5,6a]-3:N[5a]-3:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[5,6a]N[5a]H)(C[5]C[5,6a]HH)(F)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[5]C[5]FH)(H)	F(C[5]C[5]2H)	C[5](C[5]C[5,6a]N[5a]H)(C[5]C[5,6a]HH)(F)(H){1|N<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[5]C[5]FH)(H){1|N<2>,3|H<1>,4|C<3>}	F(C[5]C[5]2H)	112.0830	0.000	1	112.0830	0.000	1	112.0830	0.000	1	112.0830	0.000	1	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	3:3:4:4:	4:	C[5]-4:C[5]-4:F-1:F-1:	N[3,5]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:	C[5](C[5]N[3,5]C[6a]C)(C[5]C[3,5]FF)(F)2	C[5](N[3,5]C[3,5]C[3])(C[6a]C[6a]2)(C[5]C[5]FF)(CF3)	F(C[5]C[5]2F)	C[5](C[5]N[3,5]C[6a]C)(C[5]C[3,5]FF)(F)2{1|C<4>,1|F<1>,2|C<3>}	C[5](N[3,5]C[3,5]C[3])(C[6a]C[6a]2)(C[5]C[5]FF)(CF3){1|C<4>,2|H<1>,3|C<3>,3|F<1>}	F(C[5]C[5]2F)	112.7235	1.900	2	112.7235	3.610	2	112.7235	3.610	2	112.7235	3.610	2	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5,6]-3:C[5]-4:F-1:F-1:	C[5]-4:	C[5](C[5]C[5,6]FF)2(F)2	C[5](C[5,6]C[5,6]2)(C[5]C[5]FF)(F)2	F(C[5]C[5]2F)	C[5](C[5]C[5,6]FF)2(F)2{1|C<3>,1|C<4>}	C[5](C[5,6]C[5,6]2)(C[5]C[5]FF)(F)2{1|C<4>,1|H<1>,2|C<3>,2|F<1>}	F(C[5]C[5]2F)	111.2020	1.929	2	111.0991	6.847	42	111.0995	6.580	44	111.3318	5.363	391	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5,6]-3:C[5]-4:F-1:F-1:	C[5]-4:	C[5](C[5]C[5,6]FF)2(F)2	C[5](C[5,6]C[5,6]2)(C[5]C[5]FF)(F)2	F(C[5]C[5]2F)	C[5](C[5]C[5,6]FF)2(F)2{2|C<3>}	C[5](C[5,6]C[5,6]2)(C[5]C[5]FF)(F)2{1|C<4>,2|C<3>,2|F<1>}	F(C[5]C[5]2F)	111.0939	2.665	40	111.0991	6.847	42	111.0995	6.580	44	111.3318	5.363	391	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5,6]-3:C[5]-4:F-1:F-1:	C[5]-4:	C[5](C[5]C[5,6]FF)2(F)2	C[5](C[5,6]C[5a,6]C[5,6])(C[5]C[5]FF)(F)2	F(C[5]C[5]2F)	C[5](C[5]C[5,6]FF)2(F)2{1|C<3>,1|C<4>}	C[5](C[5,6]C[5a,6]C[5,6])(C[5]C[5]FF)(F)2{1|C<4>,2|C<3>,2|F<1>}	F(C[5]C[5]2F)	111.1085	1.498	2	111.1085	2.245	2	111.0995	6.580	44	111.3318	5.363	391	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5,6a]-3:C[5]-4:F-1:F-1:	C[5]-4:	C[5](C[5]C[5,6a]FF)2(F)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]FF)(F)2	F(C[5]C[5]2F)	C[5](C[5]C[5,6a]FF)2(F)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	F(C[5]C[5]2F)	111.1165	1.583	6	111.1165	2.505	6	111.1043	3.230	16	111.3318	5.363	391	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5,6a]-3:C[5]-4:F-1:F-1:	C[5]-4:	C[5](C[5]C[5,6a]FF)2(F)2	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]FF)(F)2	F(C[5]C[5]2F)	C[5](C[5]C[5,6a]FF)2(F)2{2|C<3>}	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	F(C[5]C[5]2F)	111.0969	1.998	10	111.0969	3.992	10	111.1043	3.230	16	111.3318	5.363	391	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-3:C[5]-4:F-1:F-1:	C[5]-4:	C[5](C[5]C[5]FF)2(F)2	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	F(C[5]C[5]2F)	C[5](C[5]C[5]FF)2(F)2{2|C<3>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{1|N<2>,2|C<3>,2|F<1>}	F(C[5]C[5]2F)	111.1757	2.546	26	111.3456	5.412	311	111.3489	5.373	321	111.3318	5.363	391	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-3:C[5]-4:F-1:F-1:	C[5]-4:	C[5](C[5]C[5]FF)2(F)2	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	F(C[5]C[5]2F)	C[5](C[5]C[5]FF)2(F)2{2|C<3>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{1|S<2>,2|C<3>,2|F<1>}	F(C[5]C[5]2F)	111.5622	3.312	18	111.3456	5.412	311	111.3489	5.373	321	111.3318	5.363	391	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-3:C[5]-4:F-1:F-1:	C[5]-4:	C[5](C[5]C[5]FF)2(F)2	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2	F(C[5]C[5]2F)	C[5](C[5]C[5]FF)2(F)2{2|C<3>}	C[5](C[5]C[5a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	F(C[5]C[5]2F)	111.3475	2.234	267	111.3456	5.412	311	111.3489	5.373	321	111.3318	5.363	391	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-3:C[5]-4:F-1:F-1:	C[5]-4:	C[5](C[5]C[5]FF)2(F)2	C[5](C[5]C[6a]C[5])(C[5]C[5]FF)(F)2	F(C[5]C[5]2F)	C[5](C[5]C[5]FF)2(F)2{2|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]FF)(F)2{2|F<1>,3|C<3>}	F(C[5]C[5]2F)	111.4511	2.148	10	111.4511	4.616	10	111.3489	5.373	321	111.3318	5.363	391	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:F-1:F-1:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]FF)(C[5]N[5]HH)(F)2	C[5](N[5]C[6a]C[5])(C[5]C[5]FF)(H)2	F(C[5]C[5]2F)	C[5](C[5]C[5]FF)(C[5]N[5]HH)(F)2{1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]FF)(H)2{2|C<3>,2|F<1>,2|H<1>}	F(C[5]C[5]2F)	112.4741	1.728	8	112.4741	2.987	8	112.4741	2.987	8	111.3318	5.363	391	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(F)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]FH)(H)2	F(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(F)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]FH)(H)2{1|N<3>,2|C<3>,2|H<1>}	F(C[5]C[5]2H)	109.2370	0.000	1	109.2370	0.000	1	110.9500	5.869	2	111.3318	5.363	391	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]N[5a]H)(C[5]C[5,6a]HH)(F)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]FH)(H)2	F(C[5]C[5]2H)	C[5](C[5]C[5,6a]N[5a]H)(C[5]C[5,6a]HH)(F)(H){1|N<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]FH)(H)2{1|N<3>,2|C<3>,2|H<1>}	F(C[5]C[5]2H)	112.6630	0.000	1	112.6630	0.000	1	110.9500	5.869	2	111.3318	5.363	391	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:F-1:F-1:	N[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]S[5]H)(C[5]C[5]CH)(F)2	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(S[5]C[5])(H)	F(C[5]C[5]2F)	C[5](C[5]N[6a]S[5]H)(C[5]C[5]CH)(F)2{2|C<3>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(S[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	F(C[5]C[5]2F)	108.8880	2.874	4	108.8880	8.260	4	109.0183	6.317	6	108.9955	4.760	23	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:F-1:F-1:	N[6a]-3:C[5]-4:S[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]S[5]H)(C[5]C[5]HO)(F)2	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(S[5]C[5])(H)	F(C[5]C[5]2F)	C[5](C[5]N[6a]S[5]H)(C[5]C[5]HO)(F)2{2|C<3>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(S[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	F(C[5]C[5]2F)	109.2790	2.570	2	109.2790	6.603	2	109.0183	6.317	6	108.9955	4.760	23	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H)	F(C[5]C[5]2H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	F(C[5]C[5]2H)	109.6420	0.000	1	108.8120	10.814	5	109.4840	11.361	6	108.9955	4.760	23	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H)	F(C[5]C[5]2H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|N<2>}	F(C[5]C[5]2H)	104.3430	0.000	1	108.8120	10.814	5	109.4840	11.361	6	108.9955	4.760	23	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H)	F(C[5]C[5]2H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	F(C[5]C[5]2H)	106.6540	0.000	1	108.8120	10.814	5	109.4840	11.361	6	108.9955	4.760	23	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H)	F(C[5]C[5]2H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	F(C[5]C[5]2H)	111.7105	1.066	2	108.8120	10.814	5	109.4840	11.361	6	108.9955	4.760	23	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H)	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]FH)(O[5]C[5])(H)	F(C[5]C[5]2H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](N[5a]C[5a,6a]N[5a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	F(C[5]C[5]2H)	112.8440	0.000	1	112.8440	0.000	1	109.4840	11.361	6	108.9955	4.760	23	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]FH)(F)(H)	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H)	F(C[5]C[5]2H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]FH)(F)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,1|O<1>,3|H<1>}	F(C[5]C[5]2H)	109.0240	0.000	1	109.0240	0.000	1	108.7165	1.405	11	108.9955	4.760	23	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]FH)(F)(H)	C[5](N[6a]C[6a]N[6a])(C[5]C[5]FH)(O[5]C[5])(H)	F(C[5]C[5]2H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]FH)(F)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](N[6a]C[6a]N[6a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,1|O<1>,2|H<1>}	F(C[5]C[5]2H)	107.7450	0.000	1	107.7450	0.000	1	108.7165	1.405	11	108.9955	4.760	23	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H)	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H)	F(C[5]C[5]2H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<4>,1|F<1>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	F(C[5]C[5]2H)	108.0400	0.000	1	108.4235	0.467	8	108.7165	1.405	11	108.9955	4.760	23	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H)	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H)	F(C[5]C[5]2H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	F(C[5]C[5]2H)	108.6813	0.338	4	108.4235	0.467	8	108.7165	1.405	11	108.9955	4.760	23	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H)	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H)	F(C[5]C[5]2H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<4>,1|N<2>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<2>}	F(C[5]C[5]2H)	109.4040	0.000	1	108.4235	0.467	8	108.7165	1.405	11	108.9955	4.760	23	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H)	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H)	F(C[5]C[5]2H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<4>,1|O<2>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|O<2>}	F(C[5]C[5]2H)	107.6095	0.477	2	108.4235	0.467	8	108.7165	1.405	11	108.9955	4.760	23	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H)	C[5](N[6a]C[6a]N[6a])(C[5]C[5]FH)(O[5]C[5])(H)	F(C[5]C[5]2H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](N[6a]C[6a]N[6a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	F(C[5]C[5]2H)	111.7250	0.000	1	111.7250	0.000	1	108.7165	1.405	11	108.9955	4.760	23	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	3:4:2:2:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:C-2:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(F)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(CC)	F(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(F)(H){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(CC){2|C<3>,6|H<1>}	F(C[5]C[5]2H)	108.4030	0.000	1	108.4030	0.000	1	108.4030	0.000	1	108.4030	0.000	1	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	3:4:2:4:	4:	C[5]-4:C[5]-4:F-1:F-1:	N[6a]-3:C[5]-4:S[5]-2:C-4:	C[5]-4:	C[5](C[5]N[6a]S[5]C)(C[5]C[5]HH)(F)2	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(S[5]C[5])(CHHO)	F(C[5]C[5]2F)	C[5](C[5]N[6a]S[5]C)(C[5]C[5]HH)(F)2{2|C<3>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(S[5]C[5])(CHHO){1|C<3>,1|N<2>,1|O<1>,5|H<1>}	F(C[5]C[5]2F)	110.8825	1.351	2	110.8825	1.826	2	110.8825	1.826	2	110.4037	1.601	3	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	3:4:2:4:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(F)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(CH3)	F(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(F)(H){1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(CH3){1|O<1>,2|C<3>,4|H<1>}	F(C[5]C[5]2H)	109.4460	0.000	1	109.4460	0.000	1	109.4460	0.000	1	110.4037	1.601	3	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5,6a]-3:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(F)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]FH)(NSS)(H)	F(C[5]C[5]2H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HN)(F)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]FH)(NSS)(H){2|C<3>,3|H<1>}	F(C[5]C[5]2H)	106.8370	0.000	1	106.8370	0.000	1	106.8370	0.000	1	106.8370	0.000	1	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	3:4:3:2:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]N[5]C)(F)2	C[5](C[6a]C[6a]2)(C[5]C[5]FF)(C[5]N[5]C)(OH)	F(C[5]C[5]2F)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]N[5]C)(F)2{1|S<4>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]FF)(C[5]N[5]C)(OH){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	F(C[5]C[5]2F)	111.2465	4.895	2	111.2465	23.964	2	111.2465	23.964	2	111.2465	23.964	2	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	3:4:3:4:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[5]-4:	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]N[5]C)(F)2	C[5](C[6a]C[6a]2)(C[5]C[5]FF)(N[5]C[5]S)(CH3)	F(C[5]C[5]2F)	C[5](C[5]C[6a]C[5]O)(C[5]C[6a]N[5]C)(F)2{1|S<4>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]FF)(N[5]C[5]S)(CH3){1|O<2>,2|H<1>,4|C<3>}	F(C[5]C[5]2F)	110.6115	0.238	2	110.6115	0.057	2	110.6115	0.057	2	110.6115	0.057	2	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:F-1:F-1:	N[5]-3:C[5]-4:Si-4:H-1:	C[5]-4:	C[5](C[5]N[5]SiH)(C[5]C[5]CH)(F)2	C[5](N[5]C[6a]C[5])(C[5]C[5]FF)(SiC3)(H)	F(C[5]C[5]2F)	C[5](C[5]N[5]SiH)(C[5]C[5]CH)(F)2{1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]FF)(SiC3)(H){1|C<4>,2|C<3>,3|H<1>}	F(C[5]C[5]2F)	111.1635	1.316	2	111.1635	1.732	2	111.1635	1.732	2	110.7737	2.162	11	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:F-1:F-1:	N[5a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)(F)2	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FF)(C[5]C[5]HO)(H)	F(C[5]C[5]2F)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)(F)2{2|C<3>,2|H<1>,2|O<2>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]FF)(C[5]C[5]HO)(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	F(C[5]C[5]2F)	110.5910	1.811	4	110.5910	3.281	4	110.5910	3.281	4	110.7737	2.162	11	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:F-1:F-1:	N[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)(F)2	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(C[5]C[5]HH)(H)	F(C[5]C[5]2F)	C[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)(F)2{2|C<3>,4|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	F(C[5]C[5]2F)	110.7295	2.309	2	110.7295	5.330	2	110.9827	2.882	4	110.7737	2.162	11	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:F-1:F-1:	N[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)(F)2	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(C[5]C[5]HO)(H)	F(C[5]C[5]2F)	C[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)(F)2{2|C<3>,2|H<1>,2|O<2>}	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(C[5]C[5]HO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	F(C[5]C[5]2F)	111.2360	1.749	2	111.2360	3.060	2	110.9827	2.882	4	110.7737	2.162	11	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	N[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)(F)(H)	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(C[5]C[5]HO)(H)	F(C[5]C[5]2H)	C[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)(F)(H){2|C<3>,2|H<1>,2|O<2>}	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(C[5]C[5]HO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	F(C[5]C[5]2H)	109.8890	0.000	1	109.8890	0.000	1	109.8890	0.000	1	110.7737	2.162	11	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]S[5]CH)(F)2	C[5](C[5]C[5]FF)(S[5]C[5])(CHHO)(H)	F(C[5]C[5]2F)	C[5](C[5]C[5]HN)(C[5]S[5]CH)(F)2{2|H<1>}	C[5](C[5]C[5]FF)(S[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	F(C[5]C[5]2F)	110.2370	2.319	2	110.2370	5.379	2	110.5752	1.969	4	109.5435	1.345	13	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:S[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]S[5]CH)(F)2	C[5](C[5]C[5]FF)(S[5]C[5])(CHHO)(H)	F(C[5]C[5]2F)	C[5](C[5]C[5]HO)(C[5]S[5]CH)(F)2{2|H<1>}	C[5](C[5]C[5]FF)(S[5]C[5])(CHHO)(H){1|O<2>,3|H<1>}	F(C[5]C[5]2F)	110.9135	0.267	2	110.9135	0.071	2	110.5752	1.969	4	109.5435	1.345	13	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]O[5]CH)(F)(H)	C[5](C[5]C[5]FH)(O[5]C[5])(CHHO)(H)	F(C[5]C[5]2H)	C[5](C[5]C[5]FH)(C[5]O[5]CH)(F)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]FH)(O[5]C[5])(CHHO)(H){1|F<1>,1|N<3>,2|H<1>}	F(C[5]C[5]2H)	109.4337	0.685	3	109.4337	0.470	3	109.0849	0.511	9	109.5435	1.345	13	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(F)(H)	C[5](C[5]C[5]FH)(O[5]C[5])(CHHO)(H)	F(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(F)(H){1|H<1>,1|N<3>}	C[5](C[5]C[5]FH)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	F(C[5]C[5]2H)	108.9105	0.721	6	108.9105	0.520	6	109.0849	0.511	9	109.5435	1.345	13	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:3:1:1:	4:	C[5,6]-4:C[5]-4:F-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(F)(H)	C[5](C[5]C[5,6]FH)(N[5]C[5,6]S)(H)2	F(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(F)(H){1|S<4>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]FH)(N[5]C[5,6]S)(H)2{2|C<4>,2|H<1>}	F(C[5]C[5,6]C[5]H)	109.0260	0.000	1	109.0260	0.000	1	109.0260	0.000	1	110.6302	3.271	25	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:C[5]-3:F-1:F-1:	C[5]-4:	C[5](C[5]C[5]FF)2(F)2	C[5](C[5]C[5]FF)(C[5]C[5]2)(F)2	F(C[5]C[5]2F)	C[5](C[5]C[5]FF)2(F)2{2|C<3>}	C[5](C[5]C[5]FF)(C[5]C[5]2)(F)2{1|S<2>,2|C<3>,2|F<1>}	F(C[5]C[5]2F)	111.6055	2.274	4	111.6055	5.173	4	111.3280	1.508	12	110.6302	3.271	25	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:C[5]-3:F-1:F-1:	C[5]-4:	C[5](C[5]C[5]FF)2(F)2	C[5](C[5]C[5]FF)(C[5]C[5]O)(F)2	F(C[5]C[5]2F)	C[5](C[5]C[5]FF)2(F)2{2|O<2>}	C[5](C[5]C[5]FF)(C[5]C[5]O)(F)2{1|O<2>,2|F<1>}	F(C[5]C[5]2F)	111.1893	0.294	8	111.1893	0.086	8	111.3280	1.508	12	110.6302	3.271	25	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)2	C[5](C[5]C[5]FF)(N[5]C[5]H)(H)2	F(C[5]C[5]2F)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]FF)(N[5]C[5]H)(H)2{1|C<4>,3|H<1>}	F(C[5]C[5]2F)	111.4330	1.286	4	111.4330	1.654	4	111.4330	1.654	4	110.6302	3.271	25	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(F)(H)	C[5](C[5]C[5]FH)(C[5]O[5]O)(H)2	F(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(F)(H){1|O<1>,2|C<3>}	C[5](C[5]C[5]FH)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>}	F(C[5]C[5]2H)	108.5400	0.000	1	108.5400	0.000	1	108.5400	0.000	1	110.6302	3.271	25	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]N[5]HH)(F)(H)	C[5](C[5]C[5]FH)(N[5]C[5]C)(H)2	F(C[5]C[5]2H)	C[5](C[5]C[5]FH)(C[5]N[5]HH)(F)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]FH)(N[5]C[5]C)(H)2{1|C<3>,1|F<1>,2|H<1>}	F(C[5]C[5]2H)	110.8125	2.129	4	110.8125	4.534	4	109.5029	5.450	7	110.6302	3.271	25	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H)	C[5](C[5]C[5]FH)(N[5]C[5]S)(H)2	F(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H){1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[5]FH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	F(C[5]C[5]2H)	107.3950	1.517	2	107.7567	1.544	3	109.5029	5.450	7	110.6302	3.271	25	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H)	C[5](C[5]C[5]FH)(N[5]C[5]S)(H)2	F(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H){1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5]FH)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	F(C[5]C[5]2H)	108.4800	0.000	1	107.7567	1.544	3	109.5029	5.450	7	110.6302	3.271	25	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:3:2:1:	4:	C[5,5]-4:C[5]-4:F-1:H-1:	C[5]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[6a]O[5]H)(F)(H)	C[5](C[5]C[5,5]FH)(N[6a]C[6a]2)(O[5]C[5,5])(H)	F(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[6a]O[5]H)(F)(H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]FH)(N[6a]C[6a]2)(O[5]C[5,5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	F(C[5]C[5,5]C[5]H)	105.2690	0.000	1	105.2690	0.000	1	105.2690	0.000	1	109.5301	6.608	14	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:Br-1:F-1:	C[5]-4:N[6a]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(Br)(F)	C[5](C[5]C[5]BrF)(N[6a]C[6a]2)(O[5]C[5])(H)	F(C[5]C[5]2Br)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(Br)(F){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]BrF)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	F(C[5]C[5]2Br)	106.2560	0.337	2	106.2560	0.113	2	106.2560	0.113	2	109.5301	6.608	14	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(F)2	C[5](C[5]C[5]FF)(C[5]C[5]H)(OC)(H)	F(C[5]C[5]2F)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(F)2{2|H<1>}	C[5](C[5]C[5]FF)(C[5]C[5]H)(OC)(H){1|C<4>,2|H<1>}	F(C[5]C[5]2F)	110.1085	2.982	2	110.1085	8.892	2	110.1085	8.892	2	109.5301	6.608	14	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:N[5]-3:C-2:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(F)2	C[5](C[5]C[5]FF)(N[5]C[5]C)(CN)(H)	F(C[5]C[5]2F)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(F)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]FF)(N[5]C[5]C)(CN)(H){1|C<3>,3|H<1>}	F(C[5]C[5]2F)	110.3105	2.558	4	110.3105	6.545	4	110.3105	6.545	4	109.5301	6.608	14	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6]O[5]H)(C[5]C[5]CC)(F)2	C[5](C[5]C[5]FF)(N[6]C[6]2)(O[5]C[5])(H)	F(C[5]C[5]2F)	C[5](C[5]N[6]O[5]H)(C[5]C[5]CC)(F)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]FF)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	F(C[5]C[5]2F)	110.7445	1.143	2	110.7445	1.307	2	110.7605	1.973	4	109.5301	6.608	14	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(F)2	C[5](C[5]C[5]FF)(N[6]C[6]2)(O[5]C[5])(H)	F(C[5]C[5]2F)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(F)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]FF)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	F(C[5]C[5]2F)	110.7765	2.147	2	110.7765	4.612	2	110.7605	1.973	4	109.5301	6.608	14	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:3:2:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6]O[5]H)(C[5]C[5]FH)(F)(H)	C[5](C[5]C[5]FH)(N[6]C[6]2)(O[5]C[5])(H)	F(C[5]C[5]2H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]FH)(F)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]FH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<2>,1|O<1>,3|H<1>}	F(C[5]C[5]2H)	111.1400	0.000	1	111.1400	0.000	1	111.1400	0.000	1	109.5301	6.608	14	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]N[5]CH)(F)(H)	C[5](C[5]C[5]FH)(N[5]C[5]C)(COO)(H)	F(C[5]C[5]2H)	C[5](C[5]C[5]FH)(C[5]N[5]CH)(F)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]FH)(N[5]C[5]C)(COO)(H){1|F<1>,3|H<1>}	F(C[5]C[5]2H)	109.1075	0.921	4	109.1075	0.848	4	109.0392	1.785	8	109.0392	1.785	8	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(F)(H)	C[5](C[5]C[5]FH)(N[5]C[5]2)(COO)(H)	F(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(F)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]FH)(N[5]C[5]2)(COO)(H){1|O<2>,3|C<3>,3|H<1>}	F(C[5]C[5]2H)	111.5350	0.000	1	111.5350	0.000	1	109.0392	1.785	8	109.0392	1.785	8	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:3:3:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(F)(H)	C[5](C[5]C[5]FH)(N[5]C[5]C)(COO)(H)	F(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(F)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]FH)(N[5]C[5]C)(COO)(H){1|O<2>,3|H<1>}	F(C[5]C[5]2H)	108.1163	0.759	3	108.1163	0.576	3	109.0392	1.785	8	109.0392	1.785	8	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:3:3:2:	4:	C[5,5]-4:C[5]-4:F-1:F-1:	C[5]-4:C[6a]-3:N[5]-3:O-2:	C[5]-4:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]N[5]O)(F)2	C[5](C[5]C[5,5]FF)(C[6a]C[6a]2)(N[5]C[5]C)(OH)	F(C[5]C[5,5]C[5]F)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]N[5]O)(F)2{1|C<4>,1|H<1>,1|O<1>,1|S<4>,4|C<3>}	C[5](C[5]C[5,5]FF)(C[6a]C[6a]2)(N[5]C[5]C)(OH){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	F(C[5]C[5,5]C[5]F)	110.4180	0.303	2	110.4180	0.092	2	110.4180	0.092	2	110.4180	0.092	2	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]C[5]HO)(F)2	C[5](C[5]C[5]FF)(C[5]C[5]H)(CCHO)(H)	F(C[5]C[5]2F)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(F)2{2|H<1>}	C[5](C[5]C[5]FF)(C[5]C[5]H)(CCHO)(H){1|O<2>,2|H<1>}	F(C[5]C[5]2F)	111.3030	2.085	2	111.3030	4.345	2	111.3030	4.345	2	111.3030	4.345	2	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:F-1:F-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5](C[3,5]N[3,5]C[3]F)(C[5]C[5]FF)(F)2	C[5](C[5]N[3,5]C[6a]C)(C[5]C[3,5]FF)(F)2	F(C[5]C[3,5]C[5]F)	C[5](C[3,5]N[3,5]C[3]F)(C[5]C[5]FF)(F)2{2|C<3>,2|C<4>}	C[5](C[5]N[3,5]C[6a]C)(C[5]C[3,5]FF)(F)2{1|C<4>,1|F<1>,2|C<3>}	F(C[5]C[3,5]C[5]F)	110.8965	1.252	2	110.8965	1.568	2	110.8965	1.568	2	109.3001	10.470	81	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:1:1:	4:	C[3,5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(F)(H)	C[5](C[5]C[3,5]CN)(C[5]C[3,5]FH)(H)2	F(C[5]C[3,5]C[5]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)(F)(H){1|N<4>,2|C<3>,2|H<1>}	C[5](C[5]C[3,5]CN)(C[5]C[3,5]FH)(H)2{1|C<4>,2|H<1>}	F(C[5]C[3,5]C[5]H)	109.2700	0.000	1	109.2700	0.000	1	109.2700	0.000	1	109.3001	10.470	81	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(F)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]FH)(H)2	F(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(F)(H){1|C<3>,2|H<1>,4|C<4>}	C[5](C[5]C[5,6]CH)(C[5]C[5,6]FH)(H)2{1|H<1>,3|C<4>}	F(C[5]C[5,6]C[5]H)	109.2627	0.546	4	109.2627	0.298	4	109.2627	0.298	4	109.3001	10.470	81	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[3,5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5](C[5]N[3,5]C[6a]C)(C[5]C[3,5]FF)(F)2	C[5](C[3,5]N[3,5]C[3]F)(C[5]C[5]FF)(F)2	F(C[5]C[5]2F)	C[5](C[5]N[3,5]C[6a]C)(C[5]C[3,5]FF)(F)2{1|C<4>,1|F<1>,2|C<3>}	C[5](C[3,5]N[3,5]C[3]F)(C[5]C[5]FF)(F)2{2|C<3>,2|C<4>}	F(C[5]C[5]2F)	109.7650	1.635	2	109.7650	2.673	2	109.7650	2.673	2	109.3001	10.470	81	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5](C[5]C[5]2O[5])(C[5]C[5]FF)(F)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]FF)(F)2	F(C[5]C[5]2F)	C[5](C[5]C[5]2O[5])(C[5]C[5]FF)(F)2{2|Fe<10>,1|H<1>,5|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]FF)(F)2{1|Fe<10>,4|C<4>}	F(C[5]C[5]2F)	110.4660	3.591	2	110.4660	12.893	2	110.4065	3.651	16	109.3001	10.470	81	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5](C[5]C[5]FF)(C[5]N[5]HH)(F)2	C[5](C[5]C[5]FF)(C[5]N[5]HH)(F)2	F(C[5]C[5]2F)	C[5](C[5]C[5]FF)(C[5]N[5]HH)(F)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]FF)(C[5]N[5]HH)(F)2{1|C<3>,2|H<1>}	F(C[5]C[5]2F)	110.5946	2.053	8	110.5946	4.213	8	110.4065	3.651	16	109.3001	10.470	81	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]FF)(F)2	C[5](C[5]C[5]O[5]H)(C[5]C[5]FF)(F)2	F(C[5]C[5]2F)	C[5](C[5]C[5]O[5]C)(C[5]C[5]FF)(F)2{1|Fe<10>,1|H<1>,3|C<4>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]FF)(F)2{1|Fe<10>,4|C<4>}	F(C[5]C[5]2F)	109.1265	1.001	2	109.1265	1.001	2	110.4065	3.651	16	109.3001	10.470	81	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]FF)(F)2	C[5](C[5]C[5]2O[5])(C[5]C[5]FF)(F)2	F(C[5]C[5]2F)	C[5](C[5]C[5]O[5]H)(C[5]C[5]FF)(F)2{1|Fe<10>,4|C<4>}	C[5](C[5]C[5]2O[5])(C[5]C[5]FF)(F)2{2|Fe<10>,1|H<1>,5|C<4>}	F(C[5]C[5]2F)	110.8290	0.055	2	110.8290	0.003	2	110.4065	3.651	16	109.3001	10.470	81	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]FF)(F)2	C[5](C[5]C[5]O[5]C)(C[5]C[5]FF)(F)2	F(C[5]C[5]2F)	C[5](C[5]C[5]O[5]H)(C[5]C[5]FF)(F)2{1|Fe<10>,4|C<4>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]FF)(F)2{1|Fe<10>,1|H<1>,3|C<4>}	F(C[5]C[5]2F)	110.4520	2.728	2	110.4520	7.442	2	110.4065	3.651	16	109.3001	10.470	81	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(F)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]FF)(H)2	F(C[5]C[5]2F)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(F)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]FF)(H)2{1|C<2>,1|C<4>,1|H<1>,2|C<3>}	F(C[5]C[5]2F)	112.7050	2.553	4	112.7050	6.520	4	111.7003	4.710	10	109.3001	10.470	81	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)2	C[5](C[5]C[5]FF)(C[5]N[5]CH)(H)2	F(C[5]C[5]2F)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]FF)(C[5]N[5]CH)(H)2{3|H<1>}	F(C[5]C[5]2F)	111.7003	1.430	4	111.7003	2.044	4	111.7003	4.710	10	109.3001	10.470	81	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]N[6a]S[5]C)(C[5]C[5]HH)(F)2	C[5](C[5]C[5]FF)(C[5]S[5]HH)(H)2	F(C[5]C[5]2F)	C[5](C[5]N[6a]S[5]C)(C[5]C[5]HH)(F)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]FF)(C[5]S[5]HH)(H)2{1|C<4>,1|N<3>}	F(C[5]C[5]2F)	109.6910	2.141	2	109.6910	4.584	2	111.7003	4.710	10	109.3001	10.470	81	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(F)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]FH)(H)2	F(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(F)(H){1|N<2>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]FH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	F(C[5]C[5]2H)	107.9275	0.026	2	107.9275	0.001	2	108.6800	1.699	3	109.3001	10.470	81	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(F)(H)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]FH)(H)2	F(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(F)(H){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]FH)(H)2{1|C<4>,2|O<2>,4|H<1>}	F(C[5]C[5]2H)	110.1850	0.000	1	110.1850	0.000	1	108.6800	1.699	3	109.3001	10.470	81	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]C[5]HH)(F)(H)	C[5](C[5]C[5]FH)2(F)(H)	F(C[5]C[5]2H)	C[5](C[5]C[5]FH)(C[5]C[5]HH)(F)(H){2|F<1>,2|H<1>}	C[5](C[5]C[5]FH)2(F)(H){1|F<1>,3|H<1>}	F(C[5]C[5]2H)	109.8950	1.153	2	109.8950	1.328	2	108.9962	4.236	20	109.3001	10.470	81	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]N[5]CH)(F)(H)	C[5](C[5]C[5]FH)(C[5]N[5]HH)(F)(H)	F(C[5]C[5]2H)	C[5](C[5]C[5]FH)(C[5]N[5]CH)(F)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]FH)(C[5]N[5]HH)(F)(H){1|H<1>,2|C<3>}	F(C[5]C[5]2H)	107.6557	0.818	4	107.6557	0.669	4	108.9962	4.236	20	109.3001	10.470	81	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]N[5]HH)(F)(H)	C[5](C[5]C[5]FH)(C[5]N[5]CH)(F)(H)	F(C[5]C[5]2H)	C[5](C[5]C[5]FH)(C[5]N[5]HH)(F)(H){1|H<1>,2|C<3>}	C[5](C[5]C[5]FH)(C[5]N[5]CH)(F)(H){1|C<3>,2|H<1>}	F(C[5]C[5]2H)	108.7858	2.660	4	108.7858	7.074	4	108.9962	4.236	20	109.3001	10.470	81	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]O[5]CH)(F)(H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]FH)(F)(H)	F(C[5]C[5]2H)	C[5](C[5]C[5]FH)(C[5]O[5]CH)(F)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6]O[5]H)(C[5]C[5]FH)(F)(H){1|C<4>,1|H<1>,2|C<3>}	F(C[5]C[5]2H)	107.6190	0.000	1	107.6190	0.000	1	108.9962	4.236	20	109.3001	10.470	81	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]O[5]CH)(F)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]FH)(F)(H)	F(C[5]C[5]2H)	C[5](C[5]C[5]FH)(C[5]O[5]CH)(F)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]FH)(F)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	F(C[5]C[5]2H)	108.3440	0.000	1	108.3270	0.001	2	108.9962	4.236	20	109.3001	10.470	81	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]O[5]CH)(F)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]FH)(F)(H)	F(C[5]C[5]2H)	C[5](C[5]C[5]FH)(C[5]O[5]CH)(F)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]FH)(F)(H){1|C<4>,1|H<1>,2|C<3>}	F(C[5]C[5]2H)	108.3100	0.000	1	108.3270	0.001	2	108.9962	4.236	20	109.3001	10.470	81	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)2(F)(H)	C[5](C[5]C[5]FH)(C[5]C[5]HH)(F)(H)	F(C[5]C[5]2H)	C[5](C[5]C[5]FH)2(F)(H){1|F<1>,3|H<1>}	C[5](C[5]C[5]FH)(C[5]C[5]HH)(F)(H){2|F<1>,2|H<1>}	F(C[5]C[5]2H)	110.2590	2.010	2	110.2590	4.038	2	108.9962	4.236	20	109.3001	10.470	81	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)2(F)(H)	C[5](C[5]C[5]FH)2(F)(H)	F(C[5]C[5]2H)	C[5](C[5]C[5]FH)2(F)(H){1|F<1>,3|H<1>}	C[5](C[5]C[5]FH)2(F)(H){1|F<1>,3|H<1>}	F(C[5]C[5]2H)	110.5865	2.893	2	110.5865	8.368	2	108.9962	4.236	20	109.3001	10.470	81	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]N[6]O[5]H)(C[5]C[5]FH)(F)(H)	C[5](C[5]C[5]FH)(C[5]O[5]CH)(F)(H)	F(C[5]C[5]2H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]FH)(F)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]FH)(C[5]O[5]CH)(F)(H){1|H<1>,1|N<3>}	F(C[5]C[5]2H)	113.3680	0.000	1	113.3680	0.000	1	108.9962	4.236	20	109.3001	10.470	81	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]FH)(F)(H)	C[5](C[5]C[5]FH)(C[5]O[5]CH)(F)(H)	F(C[5]C[5]2H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]FH)(F)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[5]C[5]FH)(C[5]O[5]CH)(F)(H){1|H<1>,1|N<3>}	F(C[5]C[5]2H)	107.5860	0.000	1	107.5180	0.009	2	108.9962	4.236	20	109.3001	10.470	81	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]FH)(F)(H)	C[5](C[5]C[5]FH)(C[5]O[5]CH)(F)(H)	F(C[5]C[5]2H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]FH)(F)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]FH)(C[5]O[5]CH)(F)(H){1|H<1>,1|N<3>}	F(C[5]C[5]2H)	107.4500	0.000	1	107.5180	0.009	2	108.9962	4.236	20	109.3001	10.470	81	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]C[5]HH)(F)(H)	C[5](C[5]C[5]FH)2(H)2	F(C[5]C[5]2H)	C[5](C[5]C[5]FH)(C[5]C[5]HH)(F)(H){2|F<1>,2|H<1>}	C[5](C[5]C[5]FH)2(H)2{2|F<1>,2|H<1>}	F(C[5]C[5]2H)	111.0165	1.620	2	111.0165	2.624	2	108.7824	2.886	14	109.3001	10.470	81	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H)	C[5](C[5]C[5]FH)(C[5]N[5]CH)(H)2	F(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]FH)(C[5]N[5]CH)(H)2{4|H<1>}	F(C[5]C[5]2H)	108.0150	0.000	1	108.9305	1.676	2	108.7824	2.886	14	109.3001	10.470	81	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H)	C[5](C[5]C[5]FH)(C[5]N[5]CH)(H)2	F(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H){1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]C[5]FH)(C[5]N[5]CH)(H)2{1|S<4>,2|H<1>}	F(C[5]C[5]2H)	109.8460	0.000	1	108.9305	1.676	2	108.7824	2.886	14	109.3001	10.470	81	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H)	C[5](C[5]C[5]FH)(C[5]N[5]HH)(H)2	F(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]FH)(C[5]N[5]HH)(H)2{2|C<4>,2|H<1>}	F(C[5]C[5]2H)	109.2987	0.462	3	108.1040	3.221	7	108.7824	2.886	14	109.3001	10.470	81	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H)	C[5](C[5]C[5]FH)(C[5]N[5]HH)(H)2	F(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H){4|H<1>}	C[5](C[5]C[5]FH)(C[5]N[5]HH)(H)2{4|H<1>}	F(C[5]C[5]2H)	107.2080	1.950	4	108.1040	3.221	7	108.7824	2.886	14	109.3001	10.470	81	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]FH)(H)2	F(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H){1|C<3>,1|H<1>,1|S<4>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]FH)(H)2{1|S<4>,2|C<3>,2|H<1>}	F(C[5]C[5]2H)	109.0595	0.401	2	109.0595	0.161	2	108.7824	2.886	14	109.3001	10.470	81	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(F)(H)	C[5](C[5]C[5]FH)(C[5]O[5]HH)(H)2	F(C[5]C[5]2H)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(F)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]FH)(C[5]O[5]HH)(H)2{1|C<2>,1|C<3>}	F(C[5]C[5]2H)	108.2130	0.000	1	108.2130	0.000	1	108.7824	2.886	14	109.3001	10.470	81	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H)	C[5](C[5]C[5]FH)(C[5]O[5]CH)(H)(O)	F(C[5]C[5]2H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]FH)(C[5]O[5]CH)(H)(O){1|H<1>,1|N<3>}	F(C[5]C[5]2H)	108.2370	0.000	1	108.2370	0.000	1	108.2370	0.000	1	109.3001	10.470	81	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H)	C[5](C[5]C[5]FH)(N[5]C[5]CC)(H)2	F(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]FH)(N[5]C[5]CC)(H)2{4|H<1>}	F(C[5]C[5]2H)	109.8540	0.245	3	109.8540	0.060	3	105.6254	59.324	8	109.3001	10.470	81	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H)	C[5](C[5]C[5]FH)(N[5]C[5]HH)(H)2	F(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]FH)(N[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	F(C[5]C[5]2H)	107.7290	0.000	1	103.0882	82.330	5	105.6254	59.324	8	109.3001	10.470	81	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:N[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H)	C[5](C[5]C[5]FH)(N[5]C[5]HH)(H)2	F(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]N[5]HH)(F)(H){4|H<1>}	C[5](C[5]C[5]FH)(N[5]C[5]HH)(H)2{4|H<1>}	F(C[5]C[5]2H)	101.9280	10.040	4	103.0882	82.330	5	105.6254	59.324	8	109.3001	10.470	81	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:Br-1:F-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(Br)(F)	C[5](C[5]C[5]BrF)(C[5]O[5]CH)(OH)(H)	F(C[5]C[5]2Br)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(Br)(F){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]BrF)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	F(C[5]C[5]2Br)	107.8650	0.373	2	107.8650	0.139	2	107.8650	0.139	2	110.0893	4.883	37	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]S[5]CH)(F)2	C[5](C[5]C[5]FF)(C[5]S[5]HH)(OC)(H)	F(C[5]C[5]2F)	C[5](C[5]C[5]HO)(C[5]S[5]CH)(F)2{2|H<1>}	C[5](C[5]C[5]FF)(C[5]S[5]HH)(OC)(H){1|C<4>,1|H<1>}	F(C[5]C[5]2F)	110.3260	3.998	2	110.3260	15.984	2	111.3977	5.915	6	110.0893	4.883	37	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(F)2	C[5](C[5]C[5]FF)(C[5]O[5]CH)(OH)(H)	F(C[5]C[5]2F)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(F)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]FF)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	F(C[5]C[5]2F)	112.5735	1.959	2	112.5735	3.839	2	111.3977	5.915	6	110.0893	4.883	37	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[6a]S[5]H)(C[5]C[5]HO)(F)2	C[5](C[5]C[5]FF)(C[5]S[5]HH)(OH)(H)	F(C[5]C[5]2F)	C[5](C[5]N[6a]S[5]H)(C[5]C[5]HO)(F)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]FF)(C[5]S[5]HH)(OH)(H){1|H<1>,1|N<3>}	F(C[5]C[5]2F)	111.2935	2.160	2	111.2935	4.667	2	111.3977	5.915	6	110.0893	4.883	37	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]C[5]O[5]H)(C[5]C[5]FF)(F)2	C[5](C[5]C[5]2Fe)(C[5]C[5]FF)(O[5]C[5])(H)	F(C[5]C[5]2F)	C[5](C[5]C[5]O[5]H)(C[5]C[5]FF)(F)2{1|Fe<10>,4|C<4>}	C[5](C[5]C[5]2Fe)(C[5]C[5]FF)(O[5]C[5])(H){2|F<1>,2|H<1>,4|C<4>}	F(C[5]C[5]2F)	112.6950	3.265	4	112.6950	10.663	4	112.6950	10.663	4	110.0893	4.883	37	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5,5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(F)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]FH)(OH)(H)	F(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(F)(H){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]FH)(OH)(H){1|O<2>,2|C<4>,2|H<1>}	F(C[5]C[5]2H)	108.4060	0.000	1	108.4060	0.000	1	108.4060	0.000	1	110.0893	4.883	37	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(F)(H)	C[5](C[5]C[5]FH)(C[5]N[5]HH)(OH)(H)	F(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(F)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]FH)(C[5]N[5]HH)(OH)(H){1|H<1>,2|C<3>}	F(C[5]C[5]2H)	108.4633	0.228	3	109.4875	4.230	4	109.5835	2.512	24	110.0893	4.883	37	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]N[5]CH)(F)(H)	C[5](C[5]C[5]FH)(C[5]N[5]HH)(OH)(H)	F(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]N[5]CH)(F)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]FH)(C[5]N[5]HH)(OH)(H){1|C<3>,1|C<4>,1|H<1>}	F(C[5]C[5]2H)	112.5600	0.000	1	109.4875	4.230	4	109.5835	2.512	24	110.0893	4.883	37	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(F)(H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]FH)(OH)(H)	F(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(F)(H){1|H<1>,1|N<3>}	C[5](C[5]N[6a]O[5]H)(C[5]C[5]FH)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	F(C[5]C[5]2H)	108.3810	0.903	6	108.3810	0.815	6	109.5835	2.512	24	110.0893	4.883	37	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H)	C[5](C[5]C[5]FH)(C[5]O[5]CH)(OH)(H)	F(C[5]C[5]2H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[5]C[5]FH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	F(C[5]C[5]2H)	112.5140	0.000	1	110.6432	3.254	5	109.5835	2.512	24	110.0893	4.883	37	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H)	C[5](C[5]C[5]FH)(C[5]O[5]CH)(OH)(H)	F(C[5]C[5]2H)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]FH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	F(C[5]C[5]2H)	110.1755	1.697	4	110.6432	3.254	5	109.5835	2.512	24	110.0893	4.883	37	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H)	C[5](C[5]C[5]FH)(C[5]O[5]CF)(OH)(H)	F(C[5]C[5]2H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<4>,1|F<1>,2|C<3>}	C[5](C[5]C[5]FH)(C[5]O[5]CF)(OH)(H){1|H<1>,1|N<3>}	F(C[5]C[5]2H)	110.1240	0.000	1	110.1240	0.000	1	109.5835	2.512	24	110.0893	4.883	37	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H)	C[5](C[5]C[5]FH)(C[5]O[5]CH)(OH)(H)	F(C[5]C[5]2H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5](C[5]C[5]FH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	F(C[5]C[5]2H)	112.8120	0.000	1	109.7278	3.042	5	109.5835	2.512	24	110.0893	4.883	37	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H)	C[5](C[5]C[5]FH)(C[5]O[5]CH)(OH)(H)	F(C[5]C[5]2H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]FH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	F(C[5]C[5]2H)	108.9567	0.305	4	109.7278	3.042	5	109.5835	2.512	24	110.0893	4.883	37	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H)	C[5](C[5]C[5]FH)(C[5]O[5]CN)(OH)(H)	F(C[5]C[5]2H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<4>,1|N<2>,2|C<3>}	C[5](C[5]C[5]FH)(C[5]O[5]CN)(OH)(H){1|H<1>,1|N<3>}	F(C[5]C[5]2H)	109.8480	0.000	1	109.8480	0.000	1	109.5835	2.512	24	110.0893	4.883	37	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H)	C[5](C[5]C[5]FH)(C[5]O[5]CO)(OH)(H)	F(C[5]C[5]2H)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<4>,1|O<2>,2|C<3>}	C[5](C[5]C[5]FH)(C[5]O[5]CO)(OH)(H){1|H<1>,1|N<3>}	F(C[5]C[5]2H)	109.9700	0.856	2	109.9700	0.732	2	109.5835	2.512	24	110.0893	4.883	37	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:2:4:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:C[5]-4:O[5]-2:C-4:	C[5]-4:	C[5](C[5]C[5]O[5]C)(C[5]C[5]FF)(F)2	C[5](C[5]C[5]2Fe)(C[5]C[5]FF)(O[5]C[5])(CC3)	F(C[5]C[5]2F)	C[5](C[5]C[5]O[5]C)(C[5]C[5]FF)(F)2{1|Fe<10>,1|H<1>,3|C<4>}	C[5](C[5]C[5]2Fe)(C[5]C[5]FF)(O[5]C[5])(CC3){2|F<1>,3|C<4>,3|H<1>}	F(C[5]C[5]2F)	115.0535	0.702	2	115.0535	0.493	2	115.0535	0.493	2	115.0535	0.493	2	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:C[5]-4:N-3:H-1:	C[5]-4:	C[5](C[5]C[5]HN)(C[5]S[5]CH)(F)2	C[5](C[5]C[5]FF)(C[5]S[5]HH)(NCH)(H)	F(C[5]C[5]2F)	C[5](C[5]C[5]HN)(C[5]S[5]CH)(F)2{2|H<1>}	C[5](C[5]C[5]FF)(C[5]S[5]HH)(NCH)(H){1|C<4>,1|H<1>}	F(C[5]C[5]2F)	110.3615	2.430	2	110.3615	5.906	2	110.3615	5.906	2	110.3615	5.906	2	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:3:2:	4:	C[5,5]-4:C[5]-4:F-1:F-1:	C[5]-4:C[5]-4:C[6a]-3:O-2:	C[5]-4:	C[5](C[5,5]C[5,5]2H)(C[5]C[6a]C[5]O)(F)2	C[5](C[5]C[5,5]FF)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH)	F(C[5]C[5,5]C[5]F)	C[5](C[5,5]C[5,5]2H)(C[5]C[6a]C[5]O)(F)2{2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5,5]FF)(C[5]C[5,5]HH)(C[6a]C[6a]2)(OH){2|C<3>,2|C<4>,4|H<1>}	F(C[5]C[5,5]C[5]F)	110.4770	4.055	2	110.4770	16.439	2	110.4770	16.439	2	110.4770	16.439	2	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5]SiH)(C[5]C[5]CH)(F)2	C[5](C[5]C[5]FF)(C[5]N[5]HH)(CCCH)(H)	F(C[5]C[5]2F)	C[5](C[5]N[5]SiH)(C[5]C[5]CH)(F)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]FF)(C[5]N[5]HH)(CCCH)(H){1|Si<4>,1|C<3>,1|H<1>}	F(C[5]C[5]2F)	111.6905	2.230	2	111.6905	4.971	2	111.8441	1.779	14	111.3319	3.118	17	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)(F)2	C[5](C[5]C[5]FF)(C[5]C[5]HO)(CHHO)(H)	F(C[5]C[5]2F)	C[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)(F)2{2|C<3>,2|H<1>,2|O<2>}	C[5](C[5]C[5]FF)(C[5]C[5]HO)(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	F(C[5]C[5]2F)	111.9668	0.664	4	111.9668	0.441	4	111.8441	1.779	14	111.3319	3.118	17	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)(F)2	C[5](C[5]C[5]FF)(C[5]C[5]HH)(CHHO)(H)	F(C[5]C[5]2F)	C[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)(F)2{2|C<3>,4|H<1>}	C[5](C[5]C[5]FF)(C[5]C[5]HH)(CHHO)(H){1|N<3>,3|H<1>}	F(C[5]C[5]2F)	112.1260	3.830	2	112.1260	14.667	2	111.8441	1.779	14	111.3319	3.118	17	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)(F)2	C[5](C[5]C[5]FF)(C[5]C[5]HO)(CHHO)(H)	F(C[5]C[5]2F)	C[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)(F)2{2|C<3>,2|H<1>,2|O<2>}	C[5](C[5]C[5]FF)(C[5]C[5]HO)(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	F(C[5]C[5]2F)	111.9705	1.268	2	111.9705	1.607	2	111.8441	1.779	14	111.3319	3.118	17	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[6a]S[5]H)(C[5]C[5]CH)(F)2	C[5](C[5]C[5]FF)(C[5]S[5]HH)(CHHO)(H)	F(C[5]C[5]2F)	C[5](C[5]N[6a]S[5]H)(C[5]C[5]CH)(F)2{2|C<3>,2|H<1>}	C[5](C[5]C[5]FF)(C[5]S[5]HH)(CHHO)(H){1|H<1>,1|N<3>}	F(C[5]C[5]2F)	111.5940	0.057	4	111.5940	0.003	4	111.8441	1.779	14	111.3319	3.118	17	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(F)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]FH)(CH3)(H)	F(C[5]C[5]2H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(F)(H){1|N<2>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]FH)(CH3)(H){1|C<3>,1|N<2>,3|H<1>}	F(C[5]C[5]2H)	108.0585	1.131	2	108.0585	1.278	2	108.0585	1.278	2	111.3319	3.118	17	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)(F)(H)	C[5](C[5]C[5]FH)(C[5]C[5]HO)(CHHO)(H)	F(C[5]C[5]2H)	C[5](C[5]N[6a]C[5]H)(C[5]C[5]CH)(F)(H){2|C<3>,2|H<1>,2|O<2>}	C[5](C[5]C[5]FH)(C[5]C[5]HO)(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	F(C[5]C[5]2H)	110.7080	0.000	1	110.7080	0.000	1	110.7080	0.000	1	111.3319	3.118	17	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:4:2:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:C[5]-4:C[5]-4:O[5]-2:	C[5]-4:	C[5](C[5]C[5]2O[5])(C[5]C[5]FF)(F)2	C[5](C[5]C[5]2Fe)2(C[5]C[5]FF)(O[5]C[5])	F(C[5]C[5]2F)	C[5](C[5]C[5]2O[5])(C[5]C[5]FF)(F)2{2|Fe<10>,1|H<1>,5|C<4>}	C[5](C[5]C[5]2Fe)2(C[5]C[5]FF)(O[5]C[5]){2|F<1>,5|C<4>,5|H<1>}	F(C[5]C[5]2F)	112.3415	4.301	2	112.3415	18.501	2	112.3415	18.501	2	112.3415	18.501	2	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:1:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]N[6]O[5]H)(C[5]C[5]CC)(F)2	C[5](C[5]C[5]FF)(C[5]O[5]CH)(CHHO)(CH3)	F(C[5]C[5]2F)	C[5](C[5]N[6]O[5]H)(C[5]C[5]CC)(F)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]FF)(C[5]O[5]CH)(CHHO)(CH3){1|H<1>,1|N<3>}	F(C[5]C[5]2F)	112.1220	1.013	2	112.1220	1.025	2	112.1220	1.025	2	112.1220	1.025	2	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:3:1:	3:3:4:2:	4:	C[5]-4:C[5]-4:C[5]-3:F-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:O-2:	C[5]-4:	C[5](C[5]C[5,6a]2O)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(F)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[5]C[5]2F)(OH)	F(C[5]C[5]3)	C[5](C[5]C[5,6a]2O)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(F){1|N<2>,1|N<3>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[5]C[5]2F)(OH){1|O<1>,3|H<1>,6|C<3>}	F(C[5]C[5]3)	107.4370	0.000	1	107.4370	0.000	1	107.4370	0.000	1	107.4370	0.000	1	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:3:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C[5]-3:F-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]2O)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(F)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(H)2	F(C[5]C[5]3)	C[5](C[5]C[5,6a]2O)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(F){1|N<2>,1|N<3>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<3>}	F(C[5]C[5]3)	107.0050	0.000	1	107.0050	0.000	1	109.1450	3.907	3	109.1450	3.907	3	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:3:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C[5]-3:F-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(F)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(H)2	F(C[5]C[5]3)	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(F){1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<3>}	F(C[5]C[5]3)	110.9020	0.000	1	110.9020	0.000	1	109.1450	3.907	3	109.1450	3.907	3	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:3:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C[5]-3:F-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]N[5]C)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(F)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(H)2	F(C[5]C[5]3)	C[5](C[5]C[5,6a]N[5]C)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(F){1|H<1>,1|S<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	F(C[5]C[5]3)	109.5280	0.000	1	109.5280	0.000	1	109.1450	3.907	3	109.1450	3.907	3	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:3:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:N-3:F-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(F)	C[5](C[6a]C[6a]2)(C[5]C[5]FN)(N[5]C[5]H)(H)	F(C[5]C[5]2N)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(F){2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]FN)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	F(C[5]C[5]2N)	111.0570	0.000	1	111.0570	0.000	1	111.0570	0.000	1	111.0570	0.000	1	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:3:1:	3:4:3:2:	4:	C[5]-4:C[5]-4:C[5]-3:F-1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(F)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(C[5]N[5]O)(OH)	F(C[5]C[5]3)	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(F){1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(C[5]N[5]O)(OH){1|O<1>,4|C<3>,4|H<1>}	F(C[5]C[5]3)	106.4770	0.000	1	106.4770	0.000	1	106.4770	0.000	1	106.4770	0.000	1	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:3:1:	3:4:3:3:	4:	C[5]-4:C[5]-4:C[5]-3:F-1:	C[5,6a]-3:C[5]-4:N[5]-3:C-3:	C[5]-4:	C[5](C[5]C[5,6a]N[5]C)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(F)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(N[5]S[5]H)(COO)	F(C[5]C[5]3)	C[5](C[5]C[5,6a]N[5]C)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(F){1|H<1>,1|S<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(N[5]S[5]H)(COO){3|H<1>,3|O<1>,4|C<3>}	F(C[5]C[5]3)	106.1420	0.000	1	106.1420	0.000	1	106.1420	0.000	1	106.1420	0.000	1	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:3:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:N-3:F-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(F)	C[5](C[6a]C[6a]2)(C[5]C[5]FN)(C[5]N[5]CH)(H)	F(C[5]C[5]2N)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(NOO)(F){2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]FN)(C[5]N[5]CH)(H){3|C<3>,4|H<1>}	F(C[5]C[5]2N)	113.7090	0.000	1	113.7090	0.000	1	113.7090	0.000	1	112.9230	1.236	2	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:3:1:	3:4:4:1:	4:	C[5]-4:S[5]-4:C-3:F-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:	C[5](C[5]C[6a]C[5]H)(S[5]C[5]OO)(COO)(F)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]S[5]CF)(H)	F(C[5]C[5]S[5]C)	C[5](C[5]C[6a]C[5]H)(S[5]C[5]OO)(COO)(F){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]S[5]CF)(H){2|C<3>,2|O<1>,4|H<1>}	F(C[5]C[5]S[5]C)	112.1370	0.000	1	112.1370	0.000	1	112.1370	0.000	1	112.9230	1.236	2	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:4:1:	3:4:1:1:	4:	C[5]-4:C[5]-4:C[5]-4:F-1:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(F)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(H)2	F(C[5]C[5]3)	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(F){1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(H)2{2|H<1>,2|O<2>,4|C<3>}	F(C[5]C[5]3)	107.1580	0.000	1	107.1580	0.000	1	107.1580	0.000	1	107.1580	0.000	1	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:4:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C-4:F-1:	N[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(CH3)(F)	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CF)(O[5]C[5])(H)	F(C[5]C[5]2C)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(CH3)(F){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5]CF)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	F(C[5]C[5]2C)	104.4720	0.000	1	104.4720	0.000	1	104.4720	0.000	1	104.7703	0.074	3	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:4:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C-4:F-1:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(CH3)(F)	C[5](N[6a]C[6a]2)(C[5]C[5]CF)(O[5]C[5])(H)	F(C[5]C[5]2C)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(CH3)(F){1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]C[5]CF)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	F(C[5]C[5]2C)	105.0020	0.000	1	105.0020	0.000	1	105.0020	0.000	1	104.7703	0.074	3	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:4:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:C[5]-4:F-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(F)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(OH)(H)	F(C[5]C[5]3)	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(F){1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(OH)(H){1|O<2>,3|H<1>,4|C<3>}	F(C[5]C[5]3)	104.8370	0.000	1	104.8370	0.000	1	104.8370	0.000	1	104.7703	0.074	3	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:4:1:	3:4:3:2:	4:	C[5]-4:C[5]-4:C[5]-4:F-1:	C[5,6a]-3:C[5]-4:C[5]-3:O-2:	C[5]-4:	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(F)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(C[5]N[5]O)(OH)	F(C[5]C[5]3)	C[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(F){1|N<3>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2F)(C[5]N[5]O)(OH){1|O<2>,4|C<3>,5|H<1>}	F(C[5]C[5]3)	105.3910	0.000	1	105.3910	0.000	1	105.3910	0.000	1	105.3910	0.000	1	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:F-1:	C[5,5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,5,6]HH)(CH3)(F)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]CF)(H)2	F(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5,5,6]HH)(CH3)(F){3|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,6]2C[5])(C[5]C[5,6]CF)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	F(C[5]C[5,6]C[5]C)	105.5740	0.000	1	105.5740	0.000	1	105.5740	0.000	1	106.1203	0.285	3	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:C-4:F-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)2(CCHH)(F)	C[5](C[5]C[5]CF)(C[5]C[5]HH)(H)2	F(C[5]C[5]2C)	C[5](C[5]C[5]HH)2(CCHH)(F){4|H<1>}	C[5](C[5]C[5]CF)(C[5]C[5]HH)(H)2{4|H<1>}	F(C[5]C[5]2C)	106.3935	0.349	2	106.3935	0.122	2	106.3935	0.122	2	106.1203	0.285	3	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:F-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(CH3)(F)	C[5](C[5]C[5]CF)(C[5]O[5]CH)(OH)(H)	F(C[5]C[5]2C)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(CH3)(F){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]CF)(C[5]O[5]CH)(OH)(H){1|H<1>,1|N<3>}	F(C[5]C[5]2C)	107.0160	0.000	1	107.0160	0.000	1	106.8135	0.082	2	106.8135	0.082	2	110.5447	4.878	1110	110.6488	5.004	1196
474	474	830	0:SP3_SP-NON_SP3	C[5]	C[5]	F	4:4:4:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:C-4:F-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(CH3)(F)	C[5](C[5]C[5]CF)(C[5]O[5]CH)(OP)(H)	F(C[5]C[5]2C)	C[5](C[5]N[6a]O[5]H)(C[5]C[5]HO)(CH3)(F){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]CF)(C[5]O[5]CH)(OP)(H){1|H<1>,1|N<3>}	F(C[5]C[5]2C)	106.6110	0.000	1	106.6110	0.000	1	106.8135	0.082	2	106.8135	0.082	2	110.5447	4.878	1110	110.6488	5.004	1196
474	474	838	5:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	Ga[5,6]	3:4:3:1:	4:4:1:1:	4:3:3:	Ga[5,6]-3:C[5,5]-4:C[5,6]-3:H-1:	C[5,5,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:Ga[5,6]-3:C[6a]-3:	C[5,5,6](Ga[5,6]Ga[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5](C[5,5,6]Ga[5,6]C[5,6]H)2(H)2	Ga[5,6](C[5,5,6]C[5,5]C[5,6]H)(Ga[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2)	C[5,5,6](Ga[5,6]Ga[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|H<1>,3|C<3>}	C[5,5](C[5,5,6]Ga[5,6]C[5,6]H)2(H)2{2|C<3>,2|H<1>}	Ga[5,6](C[5,5,6]C[5,5]C[5,6]H)(Ga[5,6]C[5,5,6]C[6a])(C[6a]C[6a]2){4|H<1>,7|C<3>}	110.1570	2.357	2	110.1570	5.558	2	110.1570	5.558	2	110.1570	5.558	2	107.5420	10.970	4	107.5420	10.970	4
474	474	838	5:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	Ga[5,6]	4:4:3:4:	4:4:3:2:	4:2:1:	C[5,5]-4:Ga[5,6]-4:Ga[5,6]-3:Si-4:	C[5,5,6]-4:Ga[5,5,6]-4:C-3:C-2:	C[5,5,6]-4:I[5,6]-2:I-1:	C[5,5,6](C[5,5]Ga[5,5,6]CC)(Ga[5,6]I[5,6]II)(Ga[5,6]I[5,6]I)(SiC3)	C[5,5](C[5,5,6]Ga[5,6]2Si)(Ga[5,5,6]I[5,6]2I)(CCC)(CC)	Ga[5,6](C[5,5,6]Ga[5,6]C[5,5]Si)(I[5,6]Ga[5,5,6])(I)	C[5,5,6](C[5,5]Ga[5,5,6]CC)(Ga[5,6]I[5,6]II)(Ga[5,6]I[5,6]I)(SiC3){1|I<1>}	C[5,5](C[5,5,6]Ga[5,6]2Si)(Ga[5,5,6]I[5,6]2I)(CCC)(CC){3|I<1>}	Ga[5,6](C[5,5,6]Ga[5,6]C[5,5]Si)(I[5,6]Ga[5,5,6])(I){1|C<2>,1|C<3>,1|I<2>,3|I<1>}	104.9270	0.000	2	104.9270	0.000	2	104.9270	0.000	2	104.9270	0.000	2	107.5420	10.970	4	107.5420	10.970	4
474	474	846	5:SP3_SP2_SP3	C[5]	C[5]	C[4,5]	3:4:1:1:	3:4:1:1:	3:3:4:	C[4,5]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:H-1:	C[4,5]-3:C[4]-3:C[5]-4:	C[5](C[4,5]C[4,5]C[4])(C[5]C[5]HH)(H)2	C[5](C[5]C[4,5]C[6a])(C[5]C[4,5]HH)(H)2	C[4,5](C[4,5]C[4]C[5])(C[4]C[6a]C[4])(C[5]C[5]HH)	C[5](C[4,5]C[4,5]C[4])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>}	C[5](C[5]C[4,5]C[6a])(C[5]C[4,5]HH)(H)2{1|C<4>,3|C<3>}	C[4,5](C[4,5]C[4]C[5])(C[4]C[6a]C[4])(C[5]C[5]HH){1|O<2>,2|H<1>,4|C<3>}	101.8165	0.459	2	101.8165	0.211	2	101.8165	0.211	2	101.8165	0.211	2	101.8165	0.211	2	101.8165	0.211	2
474	474	849	0:SP3_SP3_SP3	C[5,6,6]	C[5,5,6]	P[6]	4:4:4:1:	4:4:4:1:	4:3:3:4:	C[5,5,6]-4:C[5,6,6]-4:P[6]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6a]-3:C[6a]-3:C[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]B[6]H)(P[6]C[6a]2C[6])(H)	C[5,5,6](C[5,6,6]C[5,6,6]P[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	P[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]2)2(C[6]C[6]HH)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]B[6]H)(P[6]C[6a]2C[6])(H){2|C<4>,6|C<3>,7|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]P[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|B<4>,1|C<4>,2|C<3>,4|H<1>}	P[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]2)2(C[6]C[6]HH){1|B<4>,4|C<3>,4|H<1>,7|C<4>}	110.6930	0.000	1	110.6930	0.000	1	110.6930	0.000	1	110.6930	0.000	1	119.4935	56.138	4	117.6689	35.006	7
474	474	849	0:SP3_SP3_SP3	C[5,6,6]	C[5,5,6]	P[6]	4:4:4:1:	4:4:4:1:	4:4:3:1:	C[5,5,6]-4:C[5,6,6]-4:P[6]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6]-4: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]O[6]H)(P[6]C[5,6,6]C[6a]O)(H)	C[5,5,6](C[5,6,6]C[5,6,6]P[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H)	P[6](C[5,6,6]C[5,5,6]C[5,6,6]H)2(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]O[6]H)(P[6]C[5,6,6]C[6a]O)(H){2|C<3>,3|H<1>,6|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]P[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	P[6](C[5,6,6]C[5,5,6]C[5,6,6]H)2(C[6a]C[6a]2)(O){1|O<2>,2|C<3>,6|C<4>,6|H<1>}	119.1915	1.529	2	119.1915	2.339	2	119.1915	2.339	2	119.1915	2.339	2	119.4935	56.138	4	117.6689	35.006	7
474	474	849	0:SP3_SP3_SP3	C[5,6,6]	C[5,5,6]	P[6]	4:4:4:1:	4:4:4:1:	4:4:3:3:	C[5,5,6]-4:C[5,6,6]-4:P[6]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6a]-3:C[6a]-3:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]B[6]H)(P[6]C[6a]2C[6])(H)	C[5,5,6](C[5,6,6]C[5,6,6]P[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	P[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6a]O[6]H)(C[6a]C[6a]2)2	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]B[6]H)(P[6]C[6a]2C[6])(H){1|C<4>,1|O<2>,6|H<1>,7|C<3>}	C[5,5,6](C[5,6,6]C[5,6,6]P[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|B<4>,1|C<4>,2|C<3>,4|H<1>}	P[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6a]O[6]H)(C[6a]C[6a]2)2{1|B<4>,2|H<1>,6|C<3>,7|C<4>}	128.8980	0.000	1	128.8980	0.000	1	128.8980	0.000	1	128.8980	0.000	1	119.4935	56.138	4	117.6689	35.006	7
474	474	849	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	P[6]	4:3:3:4:	3:4:2:3:	4:2:2:1:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:P[6]-4:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:C[6a]-3:	C[5,6]-4:O[6]-2:O[6]-2:O-1:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)(P[6]O[6]2O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[6a]P[6])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	P[6](C[5,6]C[5,5,6]C[5,6]C[6a])(O[6]C[6])2(O)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6]C[5,5,6]C)(C[6a]C[6a]2)(P[6]O[6]2O){2|C<4>,2|H<1>,7|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[6a]P[6])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|O<1>,2|O<2>,3|H<1>,8|C<3>}	P[6](C[5,6]C[5,5,6]C[5,6]C[6a])(O[6]C[6])2(O){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	115.2360	2.296	3	115.2360	5.274	3	115.2360	5.274	3	115.2360	5.274	3	115.2360	5.274	3	117.6689	35.006	7
474	474	849	6:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	P[6]	4:4:4:1:	4:4:2:1:	4:4:3:1:	C[5,5,6]-4:C[5,6,6]-4:P[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:O[6]-2:H-1:	C[5,6,6]-4: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]O[6]H)(P[6]C[5,6,6]C[6a]O)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]P[6]H)(O[6]C[5,6,6])(H)	P[6](C[5,6,6]C[5,5,6]C[5,6,6]H)2(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]O[6]H)(P[6]C[5,6,6]C[6a]O)(H){2|C<3>,3|H<1>,6|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]P[6]H)(O[6]C[5,6,6])(H){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	P[6](C[5,6,6]C[5,5,6]C[5,6,6]H)2(C[6a]C[6a]2)(O){1|O<2>,2|C<3>,6|C<4>,6|H<1>}	114.4150	0.461	2	114.4150	0.213	2	114.4150	0.213	2	114.4150	0.213	2	113.8312	34.459	4	114.0010	25.989	5
474	474	849	6:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	P[6]	4:4:4:1:	4:4:4:1:	4:3:3:4:	C[5,5,6]-4:C[5,6,6]-4:P[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:B[6]-4:H-1:	C[5,6,6]-4:C[6a]-3:C[6a]-3:C[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]B[6]H)(P[6]C[6a]2C[6])(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]P[6]H)(B[6]C[6a]2C[6])(H)	P[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]2)2(C[6]C[6]HH)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]B[6]H)(P[6]C[6a]2C[6])(H){2|C<4>,6|C<3>,7|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]P[6]H)(B[6]C[6a]2C[6])(H){2|C<4>,6|C<3>,7|H<1>}	P[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]2)2(C[6]C[6]HH){1|B<4>,4|C<3>,4|H<1>,7|C<4>}	120.3820	0.000	1	120.3820	0.000	1	120.3820	0.000	1	120.3820	0.000	1	113.8312	34.459	4	114.0010	25.989	5
474	474	849	6:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	P[6]	4:4:4:1:	4:4:4:1:	4:4:3:3:	C[5,5,6]-4:C[5,6,6]-4:P[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:B[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6a]-3:C[6a]-3:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]B[6]H)(P[6]C[6a]2C[6])(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]P[6]H)(B[6]C[6a]2O[6])(H)	P[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6a]O[6]H)(C[6a]C[6a]2)2	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]B[6]H)(P[6]C[6a]2C[6])(H){1|C<4>,1|O<2>,6|H<1>,7|C<3>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]P[6]H)(B[6]C[6a]2O[6])(H){2|C<4>,5|H<1>,6|C<3>}	P[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6a]O[6]H)(C[6a]C[6a]2)2{1|B<4>,2|H<1>,6|C<3>,7|C<4>}	106.1130	0.000	1	106.1130	0.000	1	106.1130	0.000	1	106.1130	0.000	1	113.8312	34.459	4	114.0010	25.989	5
474	474	849	6:SP3_SP3_SP3	C[5,6]	C[5,6]	P[6]	4:4:3:1:	4:4:4:1:	4:3:3:4:	C[5,6]-4:P[6]-4:C[5]-3:H-1:	C[5,6]-4:B[6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[5,6](C[5,6]C[5,6]B[6]H)(P[6]C[6a]2C[6])(C[5]C[5,6]H)(H)	C[5,6](C[5,6]C[5]P[6]H)(B[6]C[6a]2C[6])(C[5,6]C[5,6]2H)(H)	P[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)2(C[6]C[6]HH)	C[5,6](C[5,6]C[5,6]B[6]H)(P[6]C[6a]2C[6])(C[5]C[5,6]H)(H){3|C<4>,3|H<1>,6|C<3>}	C[5,6](C[5,6]C[5]P[6]H)(B[6]C[6a]2C[6])(C[5,6]C[5,6]2H)(H){2|C<4>,4|H<1>,8|C<3>}	P[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)2(C[6]C[6]HH){1|B<4>,4|H<1>,5|C<3>,5|C<4>}	114.6800	0.000	1	114.6800	0.000	1	114.6800	0.000	1	114.6800	0.000	1	114.6800	0.000	1	114.0010	25.989	5
474	474	852	5:SP3_SP3_SP3	C[3x5,6]	C[4x5]	P[3,5,5,6]	3:4:2:4:	4:3:3:4:	4:4:4:	P[3,5,5,6]-3:C[4x5]-4:P[5,6]-2:C-4:	C[3x5,6]-4:P[3x5,6]-3:P[5,5]-3:C-4:	C[3,5,5,6]-4:P[3,5,5]-4:C[3x5,6]-4:	C[3x5,6](P[3,5,5,6]C[3,5,5,6]P[3,5,5])(C[4x5]P[3x5,6]P[5,5]C)(P[5,6]C[5,6])(CC3)	C[4x5](C[3x5,6]P[3,5,5,6]P[5,6]C)(P[3x5,6]C[3,5,5,6]C[5,6])(P[5,5]P[3,5,5]O)(CC3)	P[3,5,5,6](C[3,5,5,6]P[3,5,5]P[3x5,6]C)(P[3,5,5]C[3,5,5,6]P[5,5]Cr)(C[3x5,6]C[4x5]P[5,6]C)	C[3x5,6](P[3,5,5,6]C[3,5,5,6]P[3,5,5])(C[4x5]P[3x5,6]P[5,5]C)(P[5,6]C[5,6])(CC3){1|Cr<6>,1|O<1>,2|C<4>}	C[4x5](C[3x5,6]P[3,5,5,6]P[5,6]C)(P[3x5,6]C[3,5,5,6]C[5,6])(P[5,5]P[3,5,5]O)(CC3){1|Cr<6>,2|C<4>}	P[3,5,5,6](C[3,5,5,6]P[3,5,5]P[3x5,6]C)(P[3,5,5]C[3,5,5,6]P[5,5]Cr)(C[3x5,6]C[4x5]P[5,6]C){1|C<3>,1|C<4>,1|O<1>}	107.0990	0.000	1	107.0990	0.000	1	107.0990	0.000	1	107.0990	0.000	1	107.0990	0.000	1	108.9835	7.103	2
474	474	852	5:SP3_SP3_SP3	C[5,5,6,6]	C[5,5,6,6]	P[3,5,6,6]	3:4:3:4:	4:4:2:4:	4:4:3:	P[3,5,6,6]-3:C[5,5,6,6]-4:P[5,6]-3:C-4:	C[5,5,6,6]-4:P[5,5,6,6]-4:P[6,6]-2:C-4:	C[3,5,6,6]-4:C[5,5,6,6]-4:P[3,6,6]-3:	C[5,5,6,6](P[3,5,6,6]C[3,5,6,6]P[3,6,6])(C[5,5,6,6]P[5,5,6,6]P[6,6]C)(P[5,6]C[5,6]W)(CC3)	C[5,5,6,6](C[5,5,6,6]P[3,5,6,6]P[5,6]C)(P[5,5,6,6]C[3,5,6,6]C[5,6]W)(P[6,6]C[6,6])(CH3)	P[3,5,6,6](C[3,5,6,6]P[5,5,6,6]P[3,6,6]C)(C[5,5,6,6]C[5,5,6,6]P[5,6]C)(P[3,6,6]C[3,5,6,6]C[6,6])	C[5,5,6,6](P[3,5,6,6]C[3,5,6,6]P[3,6,6])(C[5,5,6,6]P[5,5,6,6]P[6,6]C)(P[5,6]C[5,6]W)(CC3){1|C<3>,1|W<6>,2|C<4>}	C[5,5,6,6](C[5,5,6,6]P[3,5,6,6]P[5,6]C)(P[5,5,6,6]C[3,5,6,6]C[5,6]W)(P[6,6]C[6,6])(CH3){1|P<3>,1|W<6>,3|C<4>}	P[3,5,6,6](C[3,5,6,6]P[5,5,6,6]P[3,6,6]C)(C[5,5,6,6]C[5,5,6,6]P[5,6]C)(P[3,6,6]C[3,5,6,6]C[6,6]){1|C<3>,1|P<2>,2|C<4>,2|W<6>}	110.8680	0.000	1	110.8680	0.000	1	110.8680	0.000	1	110.8680	0.000	1	110.8680	0.000	1	108.9835	7.103	2
474	474	852	6:SP3_SP3_SP3	C[5,6]	C[5,3x6]	P[3,5,6]	4:3:4:1:	3:3:4:3:	4:3:4:	C[5,3x6]-4:P[3,5,6]-3:Si-4:H-1:	C[6,6,6a]-3:P[5,6,6]-3:C[5,6]-4:C[6]-3:	C[3,6,6]-4:P[3,5,6]-3:C[5,6]-4:	C[5,6](C[5,3x6]C[6,6,6a]P[5,6,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(SiC3)(H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(P[5,6,6]P[3,5,6]C[6])(C[5,6]P[3,5,6]SiH)(C[6]C[6]H)	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]P[5,6,6])(C[5,6]C[5,3x6]SiH)	C[5,6](C[5,3x6]C[6,6,6a]P[5,6,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(SiC3)(H){1|Si<4>,1|H<1>,4|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(P[5,6,6]P[3,5,6]C[6])(C[5,6]P[3,5,6]SiH)(C[6]C[6]H){1|Si<4>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]P[5,6,6])(C[5,6]C[5,3x6]SiH){4|C<3>}	112.7540	0.000	1	112.7540	0.000	1	112.7540	0.000	1	112.7540	0.000	1	112.9780	0.088	4	112.9780	0.088	4
474	474	852	6:SP3_SP3_SP3	C[5,6]	C[5,3x6]	P[3,5,6]	4:3:4:1:	3:4:4:3:	4:3:4:	C[5,3x6]-4:P[3,5,6]-3:Si-4:H-1:	C[6,6,6a]-3:P[5,6,6]-4:C[5,6]-4:C[6]-3:	C[3,6,6]-4:P[3,5,6]-3:C[5,6]-4:	C[5,6](C[5,3x6]C[6,6,6a]P[5,6,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(SiC3)(H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(P[5,6,6]P[3,5,6]C[6]Au)(C[5,6]P[3,5,6]SiH)(C[6]C[6]H)	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]P[5,6,6])(C[5,6]C[5,3x6]SiH)	C[5,6](C[5,3x6]C[6,6,6a]P[5,6,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(SiC3)(H){1|Au<2>,1|Si<4>,1|H<1>,4|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(P[5,6,6]P[3,5,6]C[6]Au)(C[5,6]P[3,5,6]SiH)(C[6]C[6]H){1|Si<4>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]P[5,6,6])(C[5,6]C[5,3x6]SiH){1|Au<2>,4|C<3>}	113.4060	0.000	1	113.4060	0.000	1	113.0527	0.098	3	113.0527	0.098	3	112.9780	0.088	4	112.9780	0.088	4
474	474	852	6:SP3_SP3_SP3	C[5,6]	C[5,3x6]	P[3,5,6]	4:3:4:1:	3:4:4:3:	4:3:4:	C[5,3x6]-4:P[3,5,6]-3:Si-4:H-1:	C[6,6,6a]-3:P[5,6,6]-4:C[5,6]-4:C[6]-3:	C[3,6,6]-4:P[3,5,6]-3:C[5,6]-4:	C[5,6](C[5,3x6]C[6,6,6a]P[5,6,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(SiC3)(H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(P[5,6,6]P[3,5,6]C[6]Cu)(C[5,6]P[3,5,6]SiH)(C[6]C[6]H)	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]P[5,6,6])(C[5,6]C[5,3x6]SiH)	C[5,6](C[5,3x6]C[6,6,6a]P[5,6,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(SiC3)(H){1|Cu<3>,1|Si<4>,1|H<1>,4|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(P[5,6,6]P[3,5,6]C[6]Cu)(C[5,6]P[3,5,6]SiH)(C[6]C[6]H){1|Si<4>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	P[3,5,6](C[3,6,6]C[6,6,6a]P[3,5,6]Si)(P[3,5,6]C[3,6,6]P[5,6,6])(C[5,6]C[5,3x6]SiH){1|Cu<3>,4|C<3>}	112.8760	0.093	2	112.8760	0.009	2	113.0527	0.098	3	113.0527	0.098	3	112.9780	0.088	4	112.9780	0.088	4
474	474	854	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	N[6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5,3x6]-4:C[5,6]-4:N[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]CH)(H)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H)	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CH3)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]CH)(H){3|O<2>,5|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H){1|O<2>,4|H<1>,7|C<4>}	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,7|C<4>}	112.9840	0.000	1	112.9840	0.000	1	112.9840	0.000	1	112.9840	0.000	1	112.9840	0.000	1	113.0050	3.522	22
474	474	854	0:SP3_SP3_SP3	C[5,6]	C[5]	N[6,6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	N[6,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6](N[6,6]C[6,6]C[6]H)(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)	C[5](C[5,6]N[6,6]C[5]C[6])(C[5]C[5]HH)(H)2	N[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5,6](N[6,6]C[6,6]C[6]H)(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,2|C<4>,9|H<1>}	C[5](C[5,6]N[6,6]C[5]C[6])(C[5]C[5]HH)(H)2{4|C<4>,6|H<1>}	N[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,9|H<1>}	109.9800	0.000	1	109.9800	0.000	1	109.9800	0.000	1	109.9800	0.000	1	111.4180	4.136	2	113.0050	3.522	22
474	474	854	0:SP3_SP3_SP3	C[5,6]	C[5]	N[6,6]	4:4:4:4:	4:4:4:1:	4:4:4:1:	N[6,6]-4:C[5]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:H-1:	C[5,6](N[6,6]C[6,6]C[6]H)(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)	C[5](C[5,6]N[6,6]C[5]C[6])(C[5]C[5]HH)(CHHO)(H)	N[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5,6](N[6,6]C[6,6]C[6]H)(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,2|C<4>,9|H<1>}	C[5](C[5,6]N[6,6]C[5]C[6])(C[5]C[5]HH)(CHHO)(H){3|C<4>,7|H<1>}	N[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,9|H<1>}	112.8560	0.000	1	112.8560	0.000	1	112.8560	0.000	1	112.8560	0.000	1	111.4180	4.136	2	113.0050	3.522	22
474	474	854	0:SP3_SP3_SP3	C[5,6]	C[5]	N[6]	4:4:4:1:	4:3:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:N[6]-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(N[6]C[6]HH)(H)	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[6a]C[5])(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(N[6]C[6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[6a]C[5])(H)2{2|C<3>,2|C<4>,5|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	112.5600	1.310	7	112.5600	1.716	7	112.5600	1.716	7	112.5600	1.716	7	113.2273	4.305	10	113.0050	3.522	22
474	474	854	0:SP3_SP3_SP3	C[5,6]	C[5]	N[6]	4:4:4:1:	4:4:4:1:	3:4:1:1:	C[5,6]-4:N[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]HH)(C[5]C[5]CH)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(CH3)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]HH)(C[5]C[5]CH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,3|H<1>,4|C<4>}	115.0890	0.000	1	115.0890	0.000	1	115.0890	0.000	1	115.0890	0.000	1	113.2273	4.305	10	113.0050	3.522	22
474	474	854	0:SP3_SP3_SP3	C[5,6]	C[5]	N[6]	4:4:4:1:	4:4:4:4:	3:4:1:1:	C[5,6]-4:N[6]-4:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]HH)(C[5]C[5]CC)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(CH3)2	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]HH)(C[5]C[5]CC)(H){3|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(CH3)2{1|C<3>,1|C<4>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,2|H<1>,5|C<4>}	117.6250	0.000	1	117.6250	0.000	1	117.6250	0.000	1	117.6250	0.000	1	113.2273	4.305	10	113.0050	3.522	22
474	474	854	0:SP3_SP3_SP3	C[5,6]	C[5]	N[6]	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[5]-4:N[6]-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(N[6]C[6]HH)(CCHH)	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5]HH)(H)2	N[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(N[6]C[6]HH)(CCHH){1|C<4>,8|H<1>}	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	N[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	111.6390	0.000	1	111.6390	0.000	1	111.6390	0.000	1	111.6390	0.000	1	113.2273	4.305	10	113.0050	3.522	22
474	474	854	0:SP3_SP3_SP3	C[5]	C[5]	N[6]	4:4:3:1:	4:3:3:1:	4:4:4:1:	C[5]-4:N[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C[6]-3:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5](C[5]C[5]C[6]H)(N[6]C[6]2H)(C[5]C[5]H)(H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]O)(C[6]C[6]2)(H)	N[6](C[5]C[5]2H)(C[6]C[6]HH)2(H)	C[5](C[5]C[5]C[6]H)(N[6]C[6]2H)(C[5]C[5]H)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	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>}	N[6](C[5]C[5]2H)(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,6|H<1>}	115.1140	0.000	1	115.1140	0.000	1	115.1140	0.000	1	113.6730	4.153	2	113.1130	3.181	9	113.0050	3.522	22
474	474	854	0:SP3_SP3_SP3	C[5]	C[5]	N[6]	4:4:3:1:	4:3:3:1:	4:4:4:1:	C[5]-4:N[6]-4:C[5]-3:H-1:	C[5]-4:C[5]-3:C[6]-3:H-1:	C[6]-4:C[5]-4:C[6]-4:H-1:	C[5](C[5]C[5]C[6]H)(N[6]C[6]2H)(C[5]C[5]H)(H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]O)(C[6]C[6]2)(H)	N[6](C[6]C[6,6a]HH)(C[5]C[5]2H)(C[6]C[6]HH)(H)	C[5](C[5]C[5]C[6]H)(N[6]C[6]2H)(C[5]C[5]H)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	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>}	N[6](C[6]C[6,6a]HH)(C[5]C[5]2H)(C[6]C[6]HH)(H){4|H<1>,5|C<3>}	112.2320	0.000	1	112.2320	0.000	1	112.2320	0.000	1	113.6730	4.153	2	113.1130	3.181	9	113.0050	3.522	22
474	474	854	0:SP3_SP3_SP3	C[5]	C[5]	N[6]	4:4:3:4:	4:3:3:1:	4:4:4:1:	C[5]-4:N[6]-4:C[5]-3:C-4:	C[5]-4:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5](C[5]C[6a]C[5]H)(N[6]C[6]2H)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]N[6]C)(C[6a]C[6a]2)(C[5]C[5]C)(H)	N[6](C[5]C[5]2C)(C[6]C[6]HH)2(H)	C[5](C[5]C[6a]C[5]H)(N[6]C[6]2H)(C[5]C[5]O)(CH3){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5]N[6]C)(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[6](C[5]C[5]2C)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,3|C<3>,5|H<1>}	109.5290	0.000	1	109.5290	0.000	1	109.5290	0.000	1	109.5290	0.000	1	113.1130	3.181	9	113.0050	3.522	22
474	474	854	0:SP3_SP3_SP3	C[5]	C[5]	N[6]	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[5]-4:C[5]-4:N[6]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2H)(H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2	N[6](C[5]C[5]2H)(C[6]C[6]HH)2(H)	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2H)(H){2|C<4>,8|H<1>}	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2{1|B<4>,2|C<4>,4|H<1>}	N[6](C[5]C[5]2H)(C[6]C[6]HH)2(H){1|B<4>,3|C<4>,7|H<1>}	114.4843	0.765	3	114.4843	0.585	3	114.4843	0.585	3	114.4843	0.585	3	113.1130	3.181	9	113.0050	3.522	22
474	474	854	0:SP3_SP3_SP3	C[5]	C[5]	N[6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5]-4:C[5]-4:N[6]-4:H-1:	C[5]-4:C[5]-4:B-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2H)(H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(BC[6a]2C)(H)	N[6](C[5]C[5]2H)(C[6]C[6]HH)2(H)	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2H)(H){2|C<4>,8|H<1>}	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(BC[6a]2C)(H){2|C<4>,5|H<1>}	N[6](C[5]C[5]2H)(C[6]C[6]HH)2(H){1|B<4>,3|C<4>,7|H<1>}	112.4445	0.131	2	112.4445	0.017	2	112.5630	0.051	3	112.5630	0.051	3	113.1130	3.181	9	113.0050	3.522	22
474	474	854	0:SP3_SP3_SP3	C[5]	C[5]	N[6]	4:4:4:1:	4:4:4:1:	4:4:4:1:	C[5]-4:C[5]-4:N[6]-4:H-1:	C[5]-4:C[5]-4:B-4:H-1:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2H)(H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(BC[6a]2H)(H)	N[6](C[5]C[5]2H)(C[6]C[6]HH)2(H)	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2H)(H){2|C<4>,8|H<1>}	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(BC[6a]2H)(H){2|C<4>,5|H<1>}	N[6](C[5]C[5]2H)(C[6]C[6]HH)2(H){1|B<4>,3|C<4>,7|H<1>}	112.8000	0.000	1	112.8000	0.000	1	112.5630	0.051	3	112.5630	0.051	3	113.1130	3.181	9	113.0050	3.522	22
474	474	854	6:SP3_SP3_SP3	C[5,4x6]	C[5,4x6]	N[3x6]	3:3:4:4:	3:3:4:3:	4:4:4:1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,4x6]-4:N[3x6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,4x6]-4:N[3x6]-3:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2H)	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2)	N[3x6](C[5,4x6]C[5,6,6a]2C[5,4x6])(C[6,6]C[6,6]HH)2(H)	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2H){2|C<4>,4|H<1>,8|C<3>}	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2){2|C<4>,5|H<1>,8|C<3>}	N[3x6](C[5,4x6]C[5,6,6a]2C[5,4x6])(C[6,6]C[6,6]HH)2(H){1|N<3>,4|H<1>,6|C<3>}	105.2800	0.000	1	105.2800	0.000	1	105.3980	0.028	2	105.3980	0.028	2	105.3980	0.028	2	110.4532	6.713	14
474	474	854	6:SP3_SP3_SP3	C[5,4x6]	C[5,4x6]	N[3x6]	3:3:4:4:	3:3:4:3:	4:4:4:1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,4x6]-4:N[3x6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,4x6]-4:N[3x6]-3:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:H-1:	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2H)	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2)	N[3x6](C[5,4x6]C[5,6,6a]2C[5,4x6])(C[6,6]C[6,6]HH)2(H)	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2H){2|C<4>,4|H<1>,8|C<3>}	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2){2|C<4>,5|H<1>,8|C<3>}	N[3x6](C[5,4x6]C[5,6,6a]2C[5,4x6])(C[6,6]C[6,6]HH)2(H){1|N<3>,4|H<1>,6|C<3>}	105.5160	0.000	1	105.5160	0.000	1	105.3980	0.028	2	105.3980	0.028	2	105.3980	0.028	2	110.4532	6.713	14
474	474	854	6:SP3_SP3_SP3	C[5,6,6]	C[5,3x6]	N[6]	4:4:4:1:	4:4:4:4:	4:4:4:1:	C[5,3x6]-4:C[5,6]-4:N[6]-4:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C-4:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]CH)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CH3)(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]CH)(H){3|O<2>,5|C<4>,6|H<1>}	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){1|O<2>,7|C<4>,8|H<1>}	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CH3)(H){1|H<1>,7|C<4>}	112.0780	0.000	1	112.0780	0.000	1	112.0780	0.000	1	112.0780	0.000	1	112.0780	0.000	1	110.4532	6.713	14
474	474	854	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	4:4:3:4:	4:4:4:1:	4:4:4:4:	C[5,6]-4:N[6]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6]CC)(C[5]C[5]O)(CH3)	C[5,6](C[5,6]C[5]N[6]C)(C[5]C[3]C[5]H)(C[6]C[6]HH)(H)	N[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)2	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6]CC)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	C[5,6](C[5,6]C[5]N[6]C)(C[5]C[3]C[5]H)(C[6]C[6]HH)(H){1|O<1>,5|C<4>,5|H<1>}	N[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CH3)2{1|O<1>,3|C<4>,3|H<1>}	113.1650	0.000	1	113.1650	0.000	1	113.1650	0.000	1	113.1650	0.000	1	111.2246	2.694	11	110.4532	6.713	14
474	474	854	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	4:4:4:1:	4:4:4:1:	3:4:1:1:	C[5,6]-4:N[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]HH)(C[5]C[5]CC)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(C[5]C[5]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]HH)(C[5]C[5]CC)(H){3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,2|H<1>,5|C<4>}	109.6110	0.000	1	109.6110	0.000	1	108.8900	1.040	2	108.8900	1.040	2	111.2246	2.694	11	110.4532	6.713	14
474	474	854	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	4:4:4:1:	4:4:4:1:	3:4:1:1:	C[5,6]-4:N[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]HH)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]HH)(C[5]C[5]CH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CC)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,3|H<1>,4|C<4>}	108.1690	0.000	1	108.1690	0.000	1	108.8900	1.040	2	108.8900	1.040	2	111.2246	2.694	11	110.4532	6.713	14
474	474	854	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	4:4:4:1:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[5]-4:N[6]-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(N[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]HH)(N[6]C[6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,6|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	111.5020	1.296	7	111.5020	1.680	7	111.5020	1.680	7	111.5020	1.680	7	111.2246	2.694	11	110.4532	6.713	14
474	474	854	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	4:4:4:4:	4:4:4:1:	4:4:1:1:	C[5,6]-4:C[5]-4:N[6]-4:C-4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(N[6]C[6]HH)(CCHH)	C[5,6](C[5,6]C[5]N[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(N[6]C[6]HH)(CCHH){1|C<4>,8|H<1>}	C[5,6](C[5,6]C[5]N[6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,8|H<1>}	N[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	112.0120	0.000	1	112.0120	0.000	1	112.0120	0.000	1	112.0120	0.000	1	111.2246	2.694	11	110.4532	6.713	14
474	474	856	0:SP3_SP2_SP3	C[5,3x6]	C[5]	N[6,6]	4:3:3:4:	4:4:1:1:	4:3:1:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C[5]-4:	C[5,3x6]-4:C[5,5]-4:H-1:H-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[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5,5]C[5,6a]C[5]2)(H)2	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[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5,5]C[5,6a]C[5]2)(H)2{2|H<1>,2|N<3>,2|O<1>,3|C<3>,3|C<4>}	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>}	112.8060	0.000	1	112.8060	0.000	1	112.8060	0.000	1	111.4270	3.803	2	116.0144	10.037	8	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,3x6]	C[5]	N[6,6]	4:3:3:4:	4:4:1:1:	4:3:1:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C[5]-4:	C[5,3x6]-4:C[5]-4:H-1:H-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]C)(N[6,6]C[6,6]H)(C[5]C[5]HH)	C[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5]C[5]HH)(H)2	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[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5]C[5]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,4|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>}	110.0480	0.000	1	110.0480	0.000	1	110.0480	0.000	1	111.4270	3.803	2	116.0144	10.037	8	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,3x6]	C[5]	N[6,6]	4:3:3:4:	4:4:1:1:	4:3:4:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C[5]-4:	C[5,3x6]-4:C[5,5]-4:H-1:H-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[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5,5]C[5]3)(H)2	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[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5,5]C[5]3)(H)2{2|C<3>,2|N<3>,2|O<1>,3|H<1>,4|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>}	119.2570	0.000	1	119.0330	0.100	2	119.0330	0.100	2	118.6667	0.453	3	116.0144	10.037	8	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,3x6]	C[5]	N[6,6]	4:3:3:4:	4:4:1:1:	4:3:4:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C[5]-4:	C[5,3x6]-4:C[5,5]-4:H-1:H-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[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5,5]C[5]3)(H)2	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[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5,5]C[5]3)(H)2{1|N<3>,1|O<1>,2|C<3>,2|O<2>,4|C<4>,4|H<1>}	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>}	118.8090	0.000	1	119.0330	0.100	2	119.0330	0.100	2	118.6667	0.453	3	116.0144	10.037	8	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,3x6]	C[5]	N[6,6]	4:3:3:4:	4:4:1:1:	4:3:4:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C[5]-4:	C[5,3x6]-4:C[5]-4:H-1:H-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[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5]C[5]CH)(H)2	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[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,4|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>}	117.9340	0.000	1	117.9340	0.000	1	117.9340	0.000	1	118.6667	0.453	3	116.0144	10.037	8	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,3x6]	C[5]	N[6,6]	4:4:3:4:	4:4:1:1:	4:3:1:	C[5,6,6]-4:C[6,6]-4:N[6,6]-3:C[5]-4:	C[5,3x6]-4:C[5,5]-4:H-1:H-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[3x6]HH)(N[6,6]C[6,6]H)(C[5]C[5,5]HH)	C[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5,5]C[5,6a]C[5]2)(H)2	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[4x6]O)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[3x6]HH)(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[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5,5]C[5,6a]C[5]2)(H)2{1|O<1>,2|N<3>,3|C<3>,3|C<4>,4|H<1>}	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[4x6]O)(H){1|N<3>,4|C<4>,5|H<1>}	115.8630	0.000	2	115.8630	0.000	2	115.8630	0.000	2	115.8630	0.000	2	116.0144	10.037	8	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,3x6]	C[5]	N[6,6]	4:4:3:4:	4:4:1:1:	4:3:4:	C[5,6,6]-4:C[6,6]-4:N[6,6]-3:C[5]-4:	C[5,3x6]-4:C[5,5]-4:H-1:H-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]HH)(N[6,6]C[6,6]C)(C[5]C[5,5]HH)	C[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5,5]C[5,6a]C[5]2)(H)2	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]HH)(N[6,6]C[6,6]C)(C[5]C[5,5]HH){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,3x6]C[5,6,6]C[6,6]N[6,6])(C[5,5]C[5,6a]C[5]2)(H)2{1|O<1>,2|N<3>,3|C<3>,3|H<1>,4|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>,4|C<4>,5|H<1>}	117.5350	0.000	1	117.5350	0.000	1	117.5350	0.000	1	117.5350	0.000	1	116.0144	10.037	8	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6]	N[6]	3:4:4:3:	4:3:4:1:	4:3:1:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5,6]-4:N[6]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,5]-4:H-1:	C[5,5,6,6]-4:C[6,6a]-3:H-1:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,6a]N[6]O[5])(N[6]C[6,6a]H)	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]N[6])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5]C[5,6a]O[5]O)(H)	N[6](C[5,5,6,6]C[5,6,6a]C[5,5,6]2)(C[6,6a]C[6,6a]C[6a])(H)	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,6a]N[6]O[5])(N[6]C[6,6a]H){1|H<1>,1|O<2>,8|C<3>}	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]N[6])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5]C[5,6a]O[5]O)(H){1|H<1>,1|N<3>,7|C<3>}	N[6](C[5,5,6,6]C[5,6,6a]C[5,5,6]2)(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,6|C<3>}	114.2030	0.000	1	114.2030	0.000	1	114.2030	0.000	1	114.2030	0.000	1	114.2030	0.000	1	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,5,6]	C[3x5,6]	N[6]	4:4:4:3:	4:4:2:4:	4:3:4:	C[3x5,6]-4:C[5,6]-4:C[5]-4:N[6]-3:	C[3x5,6]-4:C[5,5,6]-4:O[5,6]-2:C[5]-4:	C[5,5,6]-4:C[6]-3:C-4:	C[5,5,6](C[3x5,6]C[3x5,6]O[5,6]C[5])(C[5,6]C[3x5,6,6]HH)(C[5]O[5]HH)(N[6]C[6]C)	C[3x5,6](C[3x5,6]C[3x5,6,6]C[5,5]C)(C[5,5,6]C[5,6]C[5]N[6])(O[5,6]C[5,5,6])(C[5]O[5]HH)	N[6](C[5,5,6]C[3x5,6]C[5,6]C[5])(C[6]C[5,5,6,6]O)(CCHH)	C[5,5,6](C[3x5,6]C[3x5,6]O[5,6]C[5])(C[5,6]C[3x5,6,6]HH)(C[5]O[5]HH)(N[6]C[6]C){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[3x5,6](C[3x5,6]C[3x5,6,6]C[5,5]C)(C[5,5,6]C[5,6]C[5]N[6])(O[5,6]C[5,5,6])(C[5]O[5]HH){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	N[6](C[5,5,6]C[3x5,6]C[5,6]C[5])(C[6]C[5,5,6,6]O)(CCHH){2|O<2>,4|H<1>,5|C<4>}	110.3510	0.000	1	110.3510	0.000	1	110.3510	0.000	1	110.3510	0.000	1	110.3510	0.000	1	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	N[6]	4:4:3:1:	4:3:4:1:	4:4:3:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[6]-4:C-3:	C[5,5,6](C[5,5,3x6]C[5,3x6]C[5,6,6]C[6])(C[5,5,6]C[5,6,6]C[5,6]H)(N[6]C[6]C)(H)	C[5,5,6](C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6,6]C[5,6,6]C[6])(C[5,6]C[5,3x6]HH)(H)	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO)	C[5,5,6](C[5,5,3x6]C[5,3x6]C[5,6,6]C[6])(C[5,5,6]C[5,6,6]C[5,6]H)(N[6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5,5,6](C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6,6]C[5,6,6]C[6])(C[5,6]C[5,3x6]HH)(H){1|C<3>,3|H<1>,5|C<4>}	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO){1|C<3>,2|H<1>,5|C<4>}	116.0600	0.000	1	116.0600	0.000	1	116.0600	0.000	1	116.0600	0.000	1	115.4091	0.927	9	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	N[6]	4:4:3:1:	4:4:4:1:	4:4:3:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[3,5,5,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[6]-4:C-3:	C[5,5,6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,5,6]C[3,5,5,6]C[5,6]H)(N[6]C[6]C)(H)	C[5,5,6](C[3,5,5,6]C[3,5,5]C[5,5,6]C[3,5])(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H)	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO)	C[5,5,6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,5,6]C[3,5,5,6]C[5,6]H)(N[6]C[6]C)(H){1|O<2>,5|C<4>,7|H<1>}	C[5,5,6](C[3,5,5,6]C[3,5,5]C[5,5,6]C[3,5])(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO){2|H<1>,6|C<4>}	115.8400	0.560	2	115.8400	0.314	2	115.8400	0.314	2	115.3278	0.992	8	115.4091	0.927	9	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	N[6]	4:4:3:1:	4:4:4:1:	4:4:3:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[4,5,6,6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[6]-4:C-3:	C[5,5,6](C[5,5,3x6]C[4,5,6]C[5,3x6]C[6])(C[5,5,6]C[4,5,6,6]C[5,6]H)(N[6]C[6]C)(H)	C[5,5,6](C[4,5,6,6]C[4,5,6]C[4,6]C[6])(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H)	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO)	C[5,5,6](C[5,5,3x6]C[4,5,6]C[5,3x6]C[6])(C[5,5,6]C[4,5,6,6]C[5,6]H)(N[6]C[6]C)(H){1|O<2>,5|C<4>,7|H<1>}	C[5,5,6](C[4,5,6,6]C[4,5,6]C[4,6]C[6])(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H){3|C<3>,4|C<4>,5|H<1>}	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO){2|H<1>,6|C<4>}	115.0417	0.467	3	115.0417	0.218	3	115.0417	0.218	3	115.3278	0.992	8	115.4091	0.927	9	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	N[6]	4:4:3:1:	4:4:4:1:	4:4:3:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,4x6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[6]-4:C-3:	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H)	C[5,5,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H)	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCO)	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[5,5,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H){2|O<2>,3|C<3>,3|H<1>,4|C<4>}	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCO){1|H<1>,7|C<4>}	117.1560	0.000	1	115.6370	4.615	2	115.2723	2.706	3	115.3278	0.992	8	115.4091	0.927	9	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	N[6]	4:4:3:1:	4:4:4:1:	4:4:3:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,4x6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[6]-4:C-3:	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H)	C[5,5,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H)	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCO)	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[5,5,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCO){1|H<1>,7|C<4>}	114.1180	0.000	1	115.6370	4.615	2	115.2723	2.706	3	115.3278	0.992	8	115.4091	0.927	9	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,5,6]	C[5,5,6]	N[6]	4:4:3:1:	4:4:4:1:	4:4:3:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,4x6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[6]-4:C-3:	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H)	C[5,5,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H)	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO)	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[5,5,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H){2|C<3>,2|O<2>,3|H<1>,5|C<4>}	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO){1|H<1>,7|C<4>}	114.5430	0.000	1	114.5430	0.000	1	115.2723	2.706	3	115.3278	0.992	8	115.4091	0.927	9	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,5,6]	C[5]	N[6]	4:4:4:3:	4:2:1:1:	4:3:4:	C[3x5,6]-4:C[5,6]-4:C[5]-4:N[6]-3:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:C[6]-3:C-4:	C[5,5,6](C[3x5,6]C[3x5,6]O[5,6]C[5])(C[5,6]C[3x5,6,6]HH)(C[5]O[5]HH)(N[6]C[6]C)	C[5](C[5,5,6]C[3x5,6]C[5,6]N[6])(O[5]C[5])(H)2	N[6](C[5,5,6]C[3x5,6]C[5,6]C[5])(C[6]C[5,5,6,6]O)(CCHH)	C[5,5,6](C[3x5,6]C[3x5,6]O[5,6]C[5])(C[5,6]C[3x5,6,6]HH)(C[5]O[5]HH)(N[6]C[6]C){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[5](C[5,5,6]C[3x5,6]C[5,6]N[6])(O[5]C[5])(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	N[6](C[5,5,6]C[3x5,6]C[5,6]C[5])(C[6]C[5,5,6,6]O)(CCHH){2|O<2>,4|H<1>,5|C<4>}	116.9090	0.000	1	116.9090	0.000	1	116.9090	0.000	1	116.9090	0.000	1	116.9090	0.000	1	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6,6]	C[5,5,6]	N[6]	4:4:3:1:	3:4:2:1:	4:3:1:	C[5,5,6]-4:C[5,6,6]-4:N[6]-3:H-1:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:H-1:	C[5,6,6]-4:C[6]-3:H-1:	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[6,6a]H)(N[6]C[6]H)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]N[6]H)(O[5,5]C[5,5,6])(H)	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6,6a]O)(H)	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[6,6a]H)(N[6]C[6]H)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]N[6]H)(O[5,5]C[5,5,6])(H){4|C<3>,4|H<1>}	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6,6a]O)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	110.5920	0.000	1	110.5920	0.000	1	110.5920	0.000	1	110.5920	0.000	1	110.3655	0.773	8	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6,6]	C[5,5,6]	N[6]	4:4:3:1:	3:4:2:1:	4:3:4:	C[5,5,6]-4:C[5,6,6]-4:N[6]-3:H-1:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:H-1:	C[5,6,6]-4:C[6,6a]-3:S-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)(N[6]C[6,6a]S)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]N[6]H)(O[5,5]C[5,5,6])(H)	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO)	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)(N[6]C[6,6a]S)(H){1|C<4>,2|H<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]N[6]H)(O[5,5]C[5,5,6])(H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	110.3620	0.000	1	110.3080	0.006	2	110.3080	0.006	2	110.3080	0.006	2	110.3655	0.773	8	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6,6]	C[5,5,6]	N[6]	4:4:3:1:	3:4:2:1:	4:3:4:	C[5,5,6]-4:C[5,6,6]-4:N[6]-3:H-1:	C[5,6,6a]-3:C[5,6,6]-4:O[5,5]-2:H-1:	C[5,6,6]-4:C[6,6a]-3:S-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)(N[6]C[6,6a]S)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]N[6]H)(O[5,5]C[5,5,6])(H)	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO)	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)(N[6]C[6,6a]S)(H){3|H<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6,6]C[5,6,6]N[6]H)(O[5,5]C[5,5,6])(H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	110.2540	0.000	1	110.3080	0.006	2	110.3080	0.006	2	110.3080	0.006	2	110.3655	0.773	8	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6,6]	C[5,5,6]	N[6]	4:4:3:1:	4:4:3:1:	4:3:1:	C[5,6,6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[6]C[6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6,6a]O)(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[6]C[6]H)(H){1|O<1>,3|C<3>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){2|C<3>,4|H<1>}	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6,6a]O)(H){2|C<4>,2|H<1>,3|C<3>}	109.3030	0.000	1	109.3030	0.000	1	109.3030	0.000	1	109.3030	0.000	1	110.3655	0.773	8	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6,6]	C[5,5,6]	N[6]	4:4:3:3:	4:4:4:4:	4:3:1:	C[5,5,6]-4:C[5,6]-4:N[6]-3:N[6]-3:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6,6]-4:C[6,6a]-3:H-1:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(N[6]C[6,6a]H)(N[6]C[6]H)	C[5,5,6](C[5,6,6]C[5,6]N[6]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3)	N[6](C[5,6,6]C[5,5,6]C[5,6]N[6])(C[6,6a]C[6,6a]C[6a])(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(N[6]C[6,6a]H)(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5,5,6](C[5,6,6]C[5,6]N[6]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3){2|C<3>,2|C<4>,5|H<1>}	N[6](C[5,6,6]C[5,5,6]C[5,6]N[6])(C[6,6a]C[6,6a]C[6a])(H){2|H<1>,3|C<3>,6|C<4>}	111.5775	0.315	2	111.5775	0.099	2	111.5775	0.099	2	110.6033	1.331	4	110.3655	0.773	8	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6,6]	C[5,5,6]	N[6]	4:4:3:3:	4:4:4:4:	4:3:1:	C[5,5,6]-4:C[5,6]-4:N[6]-3:N[6]-3:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(N[6]C[6,6a]H)(N[6]C[6]H)	C[5,5,6](C[5,6,6]C[5,6]N[6]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3)	N[6](C[5,6,6]C[5,5,6]C[5,6]N[6])(C[6]C[6,6a]O)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(N[6]C[6,6a]H)(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5,5,6](C[5,6,6]C[5,6]N[6]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3){2|C<3>,2|C<4>,5|H<1>}	N[6](C[5,6,6]C[5,5,6]C[5,6]N[6])(C[6]C[6,6a]O)(H){1|H<1>,2|C<3>,6|C<4>}	109.6290	0.310	2	109.6290	0.096	2	109.6290	0.096	2	110.6033	1.331	4	110.3655	0.773	8	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6,6]	C[5,6]	N[6]	3:4:3:3:	4:4:3:1:	4:3:1:	N[5,6,6]-3:C[5,6]-4:C[6]-3:N[6]-3:	C[5,6,6]-4:C[5]-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[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)	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[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>}	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>}	113.1840	0.000	1	113.1840	0.000	1	113.1840	0.000	1	113.1840	0.000	1	112.8980	3.711	6	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6,6]	C[5,6]	N[6]	4:4:3:3:	4:4:4:4:	4:3:1:	C[5,5,6]-4:C[5,6]-4:N[6]-3:N[6]-3:	C[5,5,6]-4:C[5,6,6]-4:C-4:C-4:	C[5,6,6]-4:C[6,6a]-3:H-1:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(N[6]C[6,6a]H)(N[6]C[6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6]2)(CH3)2	N[6](C[5,6,6]C[5,5,6]C[5,6]N[6])(C[6,6a]C[6,6a]C[6a])(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(N[6]C[6,6a]H)(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6]2)(CH3)2{2|C<3>,2|C<4>,6|H<1>}	N[6](C[5,6,6]C[5,5,6]C[5,6]N[6])(C[6,6a]C[6,6a]C[6a])(H){2|H<1>,3|C<3>,6|C<4>}	115.0940	0.588	2	115.0940	0.346	2	115.0940	0.346	2	113.4385	3.770	4	112.8980	3.711	6	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6,6]	C[5,6]	N[6]	4:4:3:3:	4:4:4:4:	4:3:1:	C[5,5,6]-4:C[5,6]-4:N[6]-3:N[6]-3:	C[5,5,6]-4:C[5,6,6]-4:C-4:C-4:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(N[6]C[6,6a]H)(N[6]C[6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6]2)(CH3)2	N[6](C[5,6,6]C[5,5,6]C[5,6]N[6])(C[6]C[6,6a]O)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(N[6]C[6,6a]H)(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]N[6]2)(CH3)2{2|C<3>,2|C<4>,6|H<1>}	N[6](C[5,6,6]C[5,5,6]C[5,6]N[6])(C[6]C[6,6a]O)(H){1|H<1>,2|C<3>,6|C<4>}	111.7830	0.048	2	111.7830	0.002	2	111.7830	0.002	2	113.4385	3.770	4	112.8980	3.711	6	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6,6]	C[5,6]	N[6]	4:4:4:3:	4:4:4:1:	4:3:1:	C[5,6]-4:C[6,6]-4:C[5]-4:N[6]-3:	C[5,6,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]C[5]HH)(N[6]C[6]H)	C[5,6](C[5,6,6]C[6,6]C[5]N[6])(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H)	N[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]N[6]O)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]C[5]HH)(N[6]C[6]H){2|C<3>,2|N<3>,2|O<1>,5|H<1>}	C[5,6](C[5,6,6]C[6,6]C[5]N[6])(C[6]C[6a]C[6]H)(C[5]C[5]HH)(H){1|C<2>,5|C<3>,6|H<1>}	N[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]N[6]O)(H){2|C<3>,3|C<4>,5|H<1>}	110.4500	0.000	1	110.4500	0.000	1	110.4500	0.000	1	110.4500	0.000	1	112.8980	3.711	6	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6,6]	C[5]	N[6,6]	3:4:3:4:	4:4:1:1:	4:4:3:	C[6,6a]-3:C[5,6]-4:N[6,6]-3:C[5]-4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(C[5]C[5]HH)	C[5](C[5,6,6]C[6,6a]C[5,6]N[6,6])(C[5]C[5]HH)(H)2	N[6,6](C[5,6,6]C[6,6a]C[5,6]C[5])(C[6]C[6]CH)(C[6]C[6]O)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(C[5]C[5]HH){1|O<1>,2|C<3>,3|C<4>,8|H<1>}	C[5](C[5,6,6]C[6,6a]C[5,6]N[6,6])(C[5]C[5]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	N[6,6](C[5,6,6]C[6,6a]C[5,6]C[5])(C[6]C[6]CH)(C[6]C[6]O){2|C<3>,3|C<4>,7|H<1>}	110.2600	0.000	1	110.2600	0.000	1	110.2600	0.000	1	110.2600	0.000	1	110.2600	0.000	1	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6,6]	C[5]	N[6]	4:2:4:3:	4:4:1:1:	4:3:4:	C[5,6,6]-4:O[6]-2:C[5]-4:N[6]-3:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[6]-3:C-4:	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(N[6]C[6]C)	C[5](C[5,6,6]C[5,6,6]N[6]O[6])(C[5]C[5]HH)(H)2	N[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]C[6]O)(CC[6a]CH)	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(N[6]C[6]C){1|O<1>,3|C<3>,5|H<1>}	C[5](C[5,6,6]C[5,6,6]N[6]O[6])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]C[6]O)(CC[6a]CH){2|C<3>,3|C<4>,3|H<1>}	117.1176	0.451	8	117.1176	0.204	8	117.2243	0.281	9	117.2243	0.281	9	116.5542	4.740	10	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6,6]	C[5]	N[6]	4:2:4:3:	4:4:1:1:	4:3:4:	C[5,6,6]-4:O[6]-2:C[5]-4:N[6]-3:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[6]-3:C-4:	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(N[6]C[6]C)	C[5](C[5,6,6]C[5,6,6]N[6]O[6])(C[5]C[5]HH)(H)2	N[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]C[6]O)(CC[6a]HH)	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,6,6]C[5,6,6]N[6]O[6])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	N[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|P<4>,3|C<4>,4|H<1>}	118.0780	0.000	1	118.0780	0.000	1	117.2243	0.281	9	117.2243	0.281	9	116.5542	4.740	10	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6,6]	C[5]	N[6]	4:4:4:3:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6,6]-4:C[5]-4:N[6]-3:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]C[5]HH)(N[6]C[6]H)	C[5](C[5,6,6]C[5,6]C[6,6]N[6])(C[5]C[5]HH)(H)2	N[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]N[6]O)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6]2H)(C[5]C[5]HH)(N[6]C[6]H){2|C<3>,2|N<3>,2|O<1>,5|H<1>}	C[5](C[5,6,6]C[5,6]C[6,6]N[6])(C[5]C[5]HH)(H)2{1|C<4>,3|C<3>,5|H<1>}	N[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]N[6]O)(H){2|C<3>,3|C<4>,5|H<1>}	110.5230	0.000	1	110.5230	0.000	1	110.5230	0.000	1	110.5230	0.000	1	116.5542	4.740	10	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[3x5,6]	N[6]	4:3:3:3:	4:4:2:3:	4:3:3:	C[3x5,6]-4:N[5,6]-3:N[6]-3:C-3:	C[5,5,6]-4:C[5,6]-4:O[5,5]-2:C[5,6]-3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5,6]C[5]C[6])(N[6]C[6a]C[6])(CCH)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]N[5,6]N[6]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)	N[6](C[5,6]C[3x5,6]N[5,6]C)(C[6a]C[6a]2)(C[6]N[6]O)	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5,6]C[5]C[6])(N[6]C[6a]C[6])(CCH){1|N<3>,2|C<4>,2|O<1>,3|C<3>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6]N[5,6]N[6]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H){4|C<3>,5|H<1>}	N[6](C[5,6]C[3x5,6]N[5,6]C)(C[6a]C[6a]2)(C[6]N[6]O){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	114.2500	0.000	1	114.2500	0.000	1	114.2500	0.000	1	114.2500	0.000	1	114.2500	0.000	1	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	N[6]	4:4:3:1:	4:4:4:4:	4:4:3:	C[5,5,6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:C[6]-4:C[6]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(N[6]C[6]2)(H)	C[5,5,6](C[5,6]C[5,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3)	N[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(N[6]C[6]2)(H){1|O<1>,3|C<4>,7|H<1>}	C[5,5,6](C[5,6]C[5,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3){1|C<3>,3|C<4>,3|H<1>}	N[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,4|H<1>,6|C<4>}	120.0200	0.000	1	120.0200	0.000	1	119.3260	2.593	3	119.3260	2.593	3	119.3260	2.593	3	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	N[6]	4:4:3:1:	4:4:4:4:	4:4:3:	C[5,5,6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:C[6]-4:C[6]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(N[6]C[6]2)(H)	C[5,5,6](C[5,6]C[5,6]N[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	N[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(C[6]N[6]Pd)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(N[6]C[6]2)(H){1|Pd<4>,1|N<3>,4|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5,6]N[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|C<4>,5|H<1>}	N[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(C[6]N[6]Pd){4|H<1>,6|C<4>}	118.9790	2.113	2	118.9790	4.464	2	119.3260	2.593	3	119.3260	2.593	3	119.3260	2.593	3	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5,5]	N[6]	4:4:3:1:	4:4:2:1:	4:3:4:	C[5,5]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[3,6]O[5]H)(N[6]C[6]C)(H)	C[5,5](C[5,6]C[5,6]N[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H)	N[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[3,6]O)(CC[6a]HH)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[3,6]O[5]H)(N[6]C[6]C)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,6]C[5,6]N[6]H)(C[5,5]O[5]2H)(O[5]C[5])(H){1|C<3>,1|H<1>,4|C<4>}	N[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[3,6]O)(CC[6a]HH){2|C<4>,3|H<1>,3|O<2>}	120.2300	0.000	1	120.2300	0.000	1	120.2300	0.000	1	120.2300	0.000	1	110.7886	28.277	5	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5,5]	N[6]	4:4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[5,5]-4:N[6]-3:H-1:	C[5,6]-4:C[5,5]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]N[5a,6]C[5]H)(C[5,5]C[5,5]N[5]H)(N[6]C[6]H)(H)	C[5,5](C[5,6]C[5,6]N[6]H)(C[5,5]C[5]N[5]O)(N[5]C[5]H)(H)	N[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[5a,6]O)(H)	C[5,6](C[5,6]N[5a,6]C[5]H)(C[5,5]C[5,5]N[5]H)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5,5](C[5,6]C[5,6]N[6]H)(C[5,5]C[5]N[5]O)(N[5]C[5]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	N[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[5a,6]O)(H){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	108.5430	0.873	3	108.4283	0.561	4	108.4283	0.561	4	108.4283	0.561	4	110.7886	28.277	5	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5,5]	N[6]	4:4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[5,5]-4:N[6]-3:H-1:	C[5,6]-4:C[5,5]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]N[5a,6]C[5]H)(C[5,5]C[5,5]N[5]H)(N[6]C[6]H)(H)	C[5,5](C[5,6]C[5,6]N[6]H)(C[5,5]C[5]N[5]O)(N[5]C[5]H)(H)	N[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[5a,6]O)(H)	C[5,6](C[5,6]N[5a,6]C[5]H)(C[5,5]C[5,5]N[5]H)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5,5](C[5,6]C[5,6]N[6]H)(C[5,5]C[5]N[5]O)(N[5]C[5]H)(H){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	N[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[5a,6]O)(H){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	108.0840	0.000	1	108.4283	0.561	4	108.4283	0.561	4	108.4283	0.561	4	110.7886	28.277	5	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:3:3:1:	4:3:3:1:	4:3:4:	C[5,6]-4:N[5,6]-3:N[6]-3:H-1:	C[5,6]-4:N[5,6]-3:N[6]-3:H-1:	C[5,6]-4:C[6,6a]-3:C-4:	C[5,6](C[5,6]N[5,6]N[6]H)(N[5,6]C[5]C[6])(N[6]C[6,6a]C)(H)	C[5,6](C[5,6]N[5,6]N[6]H)(N[5,6]C[6,6a]C[5])(N[6]C[6]C)(H)	N[6](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(CHHN)	C[5,6](C[5,6]N[5,6]N[6]H)(N[5,6]C[5]C[6])(N[6]C[6,6a]C)(H){2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]N[5,6]N[6]H)(N[5,6]C[6,6a]C[5])(N[6]C[6]C)(H){2|C<4>,3|C<3>,4|H<1>}	N[6](C[5,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(CHHN){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	116.9040	0.000	1	116.9040	0.000	1	116.9040	0.000	1	116.9040	0.000	1	114.5578	10.297	6	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:3:3:1:	4:4:4:1:	4:3:4:	C[5,6]-4:N[5,6]-3:N[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,6]C[5,6]C[6]H)(N[5,6]C[6,6a]C[5])(N[6]C[6]C)(H)	C[5,6](C[5,6]N[5,6]N[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(H)	N[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6,6a]O)(CC[5a]HH)	C[5,6](C[5,6]C[5,6]C[6]H)(N[5,6]C[6,6a]C[5])(N[6]C[6]C)(H){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5,6]N[5,6]N[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	N[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6,6a]O)(CC[5a]HH){1|H<1>,2|C<4>,3|C<3>}	112.0710	0.000	1	112.0710	0.000	1	112.0710	0.000	1	112.0710	0.000	1	114.5578	10.297	6	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:4:3:1:	4:4:1:1:	4:4:3:	C[5,5,6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[6]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(N[6]C[6]2)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[6]H)(H)2	N[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(C[6]N[6]Pd)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(N[6]C[6]2)(H){1|Pd<4>,1|N<3>,4|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[6]H)(H)2{1|C<3>,2|H<1>,5|C<4>}	N[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(C[6]N[6]Pd){4|H<1>,6|C<4>}	115.3165	1.173	2	115.3165	1.376	2	115.3165	1.376	2	115.3165	1.376	2	114.5578	10.297	6	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:4:3:1:	4:4:4:1:	3:4:4:	C[5,6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:S-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(N[6]C[6,6a]S)(H)	C[5,6](C[5,6]C[5,6]N[6]H)(C[5,6]N[6]O[5]H)(C[6]C[6,6a]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(SC[6a]OO)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(N[6]C[6,6a]S)(H){1|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]N[6]H)(C[5,6]N[6]O[5]H)(C[6]C[6,6a]HH)(H){1|C<4>,1|H<1>,2|S<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(SC[6a]OO){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	109.6080	0.000	1	109.6080	0.000	1	109.6080	0.000	1	109.6080	0.000	1	114.5578	10.297	6	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:4:3:1:	4:4:4:4:	4:4:3:	C[5,5,6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:C[6]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(N[6]C[6]2)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[6]H)(CH3)2	N[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(N[6]C[6]2)(H){1|O<1>,3|C<4>,7|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[6]H)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	N[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,4|H<1>,6|C<4>}	118.1310	0.000	1	118.1310	0.000	1	118.1310	0.000	1	118.1310	0.000	1	114.5578	10.297	6	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	3:3:4:1:	4:2:4:4:	3:4:4:	N[5,6]-3:N[6]-3:C[5]-4:H-1:	C[5,6]-4:S[5]-2:C-4:C-4:	C[6,6a]-3:C[5,6]-4:C-4:	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]C)(C[5]S[5]CC)(H)	C[5](C[5,6]N[5,6]N[6]H)(S[5]C[5])(CH3)2	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(CCHH)	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]C)(C[5]S[5]CC)(H){1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,6]N[5,6]N[6]H)(S[5]C[5])(CH3)2{2|C<3>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(CCHH){1|Br<1>,1|S<2>,3|C<3>,3|C<4>}	114.5960	0.000	1	114.5960	0.000	1	114.5960	0.000	1	114.5960	0.000	1	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	3:3:4:1:	4:4:1:1:	3:4:1:	N[5,6]-3:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6]N[6]H)(C[5]C[5]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)(H){2|C<3>,6|H<1>}	C[5](C[5,6]N[5,6]N[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H){1|Br<1>,2|C<3>,2|H<1>,3|C<4>}	109.2090	0.000	1	109.2090	0.000	1	109.2090	0.000	1	109.2090	0.000	1	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	3:3:4:1:	4:4:4:1:	3:4:1:	N[5,6]-3:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]CH)(H)	C[5](C[5,6]N[5,6]N[6]H)(C[5]C[5]HH)(CC[6a]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]CH)(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,6]N[5,6]N[6]H)(C[5]C[5]HH)(CC[6a]HH)(H){2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H){2|H<1>,3|C<3>,3|C<4>}	115.6360	0.000	1	115.6360	0.000	1	115.6360	0.000	1	115.6360	0.000	1	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	3:3:4:2:	4:3:1:1:	4:3:3:	N[6]-3:N[6]-3:C[5]-4:O[5]-2:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6](N[6]C[6a]C[6])2(C[5]C[5]HH)(O[5]C[5])	C[5](C[5,6]N[6]2O[5])(C[5]C[5]H)(H)2	N[6](C[5,6]C[5]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]O)	C[5,6](N[6]C[6a]C[6])2(C[5]C[5]HH)(O[5]C[5]){1|H<1>,2|C<4>,2|O<1>,4|C<3>}	C[5](C[5,6]N[6]2O[5])(C[5]C[5]H)(H)2{1|C<4>,4|C<3>}	N[6](C[5,6]C[5]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]O){2|H<1>,4|C<4>,6|C<3>}	113.1265	0.241	2	113.1265	0.058	2	113.1265	0.058	2	113.1265	0.058	2	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	3:3:4:3:	4:4:1:1:	4:3:4:	C[6,6a]-3:C[5]-3:C[5]-4:N[6]-3:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]N[5])(C[5]C[5]HH)(N[6]C[6]C)	C[5](C[5,6]C[6,6a]C[5]N[6])(C[5]N[5]HH)(H)2	N[6](C[5,6]C[6,6a]C[5]2)(C[6]N[6]H)(CCHH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]N[5])(C[5]C[5]HH)(N[6]C[6]C){1|N<2>,1|N<3>,3|C<3>,4|H<1>}	C[5](C[5,6]C[6,6a]C[5]N[6])(C[5]N[5]HH)(H)2{1|C<4>,4|C<3>}	N[6](C[5,6]C[6,6a]C[5]2)(C[6]N[6]H)(CCHH){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	113.0580	0.000	1	113.0580	0.000	1	113.0580	0.000	1	113.0580	0.000	1	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	3:3:4:3:	4:4:1:1:	4:4:4:	C[6,6a]-3:C[5]-3:C[5]-4:N[6]-3:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]N[5])(C[5]C[5]HH)(N[6]C[6]C)	C[5](C[5,6]C[6,6a]C[5]N[6])(C[5]N[5]HH)(H)2	N[6](C[5,6]C[6,6a]C[5]2)(C[6]N[6]HH)(CCHH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5a]N[5])(C[5]C[5]HH)(N[6]C[6]C){2|N<3>,3|C<3>,5|H<1>}	C[5](C[5,6]C[6,6a]C[5]N[6])(C[5]N[5]HH)(H)2{2|C<4>,3|C<3>}	N[6](C[5,6]C[6,6a]C[5]2)(C[6]N[6]HH)(CCHH){1|C<4>,1|N<2>,1|S<4>,2|H<1>,3|C<3>}	113.6650	0.000	1	113.6650	0.000	1	113.6650	0.000	1	113.6650	0.000	1	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	3:3:4:4:	4:4:1:1:	3:4:4:	N[5,6]-3:N[6]-3:C[5]-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C-4:	C[5,6](N[5,6]C[6,6a]C[5])(N[6]C[6,6a]C)(C[5]C[5]HH)(CH3)	C[5](C[5,6]N[5,6]N[6]C)(C[5]C[5]HH)(H)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]N[5,6]C[5]C)(CC[6a]HH)	C[5,6](N[5,6]C[6,6a]C[5])(N[6]C[6,6a]C)(C[5]C[5]HH)(CH3){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]N[5,6]N[6]C)(C[5]C[5]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]N[5,6]C[5]C)(CC[6a]HH){2|C<4>,3|C<3>,3|H<1>}	112.8430	0.000	1	112.8430	0.000	1	112.8430	0.000	1	112.8430	0.000	1	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	3:3:4:4:	4:4:4:1:	3:4:1:	N[5,6]-3:N[6]-3:C[5]-4:C-4:	C[5,6]-4:C[5]-4:C-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]CH)(CH3)	C[5](C[5,6]N[5,6]N[6]C)(C[5]C[5]HH)(CC[6a]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H)	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]CH)(CH3){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,6]N[5,6]N[6]C)(C[5]C[5]HH)(CC[6a]HH)(H){2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H){2|H<1>,3|C<3>,3|C<4>}	112.8780	0.000	1	112.8780	0.000	1	112.8780	0.000	1	112.8780	0.000	1	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	3:4:3:1:	3:4:1:1:	4:4:3:	C[5,6]-3:C[5]-4:N[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(N[6]C[6]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(N[6]C[6]C)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H)2{1|C<4>,1|H<1>,4|C<3>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO){1|O<2>,3|C<3>,3|H<1>}	117.1340	0.000	1	117.1340	0.000	1	117.1340	0.000	1	117.1340	0.000	1	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	3:4:3:1:	3:4:4:4:	4:3:3:	N[5,6]-3:C[5]-4:N[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C-4:C-4:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(N[6]C[6a]C[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6]H)(CH3)2	N[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(N[6]C[6a]C[6])(H){1|C<4>,2|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]N[6]H)(CH3)2{1|H<1>,5|C<3>}	N[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]O){5|C<3>,6|C<4>}	119.4750	0.000	1	119.4750	0.000	1	119.4750	0.000	1	119.4750	0.000	1	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	3:4:3:3:	4:4:1:1:	4:2:1:	N[5,6]-3:C[5]-4:N[6]-3:C-3:	C[5,6]-4:S[5]-4:H-1:H-1:	C[5,6]-4:N[6]-2:H-1:	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(N[6]N[6]H)(COO)	C[5](C[5,6]N[5,6]N[6]C)(S[5]C[5]OO)(H)2	N[6](C[5,6]N[5,6]C[5]C)(N[6]C[6])(H)	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(N[6]N[6]H)(COO){1|C<3>,2|H<1>,3|O<1>}	C[5](C[5,6]N[5,6]N[6]C)(S[5]C[5]OO)(H)2{1|C<3>,1|N<2>,3|H<1>}	N[6](C[5,6]N[5,6]C[5]C)(N[6]C[6])(H){1|C<3>,1|C<4>,1|O<1>,1|S<4>,2|H<1>}	110.4410	0.000	1	110.4410	0.000	1	110.4410	0.000	1	110.4410	0.000	1	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	3:4:3:3:	4:4:1:1:	4:4:3:	C[6]-3:C[5]-4:C[5]-3:N[6]-3:	C[5,6]-4:C[5]-4:H-1: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[5](C[5,6]C[5]C[6]N[6])(C[5]N[5]HH)(H)2	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[5](C[5,6]C[5]C[6]N[6])(C[5]N[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	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>}	111.3580	0.000	1	111.3580	0.000	1	111.3580	0.000	1	111.3580	0.000	1	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	3:4:3:4:	4:2:1:1:	4:3:1:	C[5,6,6a]-3:C[5]-4:N[6]-3:C-4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)(N[6]C[6]H)(CH3)	C[5](C[5,6]C[5,6,6a]N[6]C)(O[5]C[5,6a])(H)2	N[6](C[5,6]C[5,6,6a]C[5]C)(C[6]C[6]O)(H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)(N[6]C[6]H)(CH3){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6,6a]N[6]C)(O[5]C[5,6a])(H)2{1|H<1>,3|C<3>}	N[6](C[5,6]C[5,6,6a]C[5]C)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	114.7037	0.864	3	114.7037	0.747	3	114.7037	0.747	3	114.7037	0.747	3	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	3:4:3:4:	4:4:1:1:	4:3:1:	N[5,6]-3:C[5]-4:N[6]-3:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(N[6]C[6]H)(CH3)	C[5](C[5,6]N[5,6]N[6]C)(C[5]C[5]HH)(H)2	N[6](C[5,6]N[5,6]C[5]C)(C[6]C[6,6a]O)(H)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(N[6]C[6]H)(CH3){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,6]N[5,6]N[6]C)(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	N[6](C[5,6]N[5,6]C[5]C)(C[6]C[6,6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	113.0140	0.091	2	113.0140	0.008	2	113.0140	0.008	2	113.0140	0.008	2	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	3:4:3:4:	4:4:1:1:	4:4:3:	N[5,6]-3:C[5]-4:N[6]-3:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]C)(CH3)	C[5](C[5,6]N[5,6]N[6]C)(C[5]C[5]HH)(H)2	N[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(CCO)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]C)(CH3){1|C<4>,1|O<1>,6|H<1>}	C[5](C[5,6]N[5,6]N[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	N[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(CCO){1|C<3>,2|C<4>,4|H<1>}	111.9540	0.000	1	111.9540	0.000	1	111.9540	0.000	1	111.9540	0.000	1	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	3:4:4:2:	4:2:2:1:	4:4:3:	N[6]-3:C[5]-4:C[6]-4:O[5]-2:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](N[6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]HH)(O[5]C[5])	C[5](C[5,6]C[6]N[6]O[5])(O[5]C[5])(OH)(H)	N[6](C[5,6]C[5]C[6]O[5])(C[5]C[5,5]O[5]H)(C[6]N[6]O)	C[5,6](N[6]C[5]C[6])(C[5]O[5]HO)(C[6]C[6]HH)(O[5]C[5]){1|N<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[5](C[5,6]C[6]N[6]O[5])(O[5]C[5])(OH)(H){2|C<3>,2|C<4>,3|H<1>}	N[6](C[5,6]C[5]C[6]O[5])(C[5]C[5,5]O[5]H)(C[6]N[6]O){1|C<3>,3|C<4>,3|O<2>,5|H<1>}	112.0680	0.000	1	112.0680	0.000	1	112.0680	0.000	1	112.0680	0.000	1	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	3:4:4:3:	4:4:1:1:	3:4:1:	N[6]-3:C[5]-4:C[5]-4:N[6]-3:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](N[6]C[6,6a]H)(C[5]C[5]HH)2(N[6]C[6]H)	C[5](C[5,6]C[5]N[6]2)(C[5]C[5]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2N[6])(H)	C[5,6](N[6]C[6,6a]H)(C[5]C[5]HH)2(N[6]C[6]H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5]N[6]2)(C[5]C[5]HH)(H)2{2|C<3>,6|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2N[6])(H){2|C<4>,3|C<3>,6|H<1>}	111.2555	1.302	4	111.2555	1.696	4	111.2555	1.696	4	111.2555	1.696	4	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	3:4:4:3:	4:4:1:1:	4:3:1:	N[6]-3:C[5]-4:C[5]-4:N[6]-3:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](N[6]C[6,6a]H)(C[5]C[5]HH)2(N[6]C[6]H)	C[5](C[5,6]C[5]N[6]2)(C[5]C[5]HH)(H)2	N[6](C[5,6]C[5]2N[6])(C[6]C[6,6a]O)(H)	C[5,6](N[6]C[6,6a]H)(C[5]C[5]HH)2(N[6]C[6]H){1|C<3>,1|N<2>,1|O<1>,4|H<1>}	C[5](C[5,6]C[5]N[6]2)(C[5]C[5]HH)(H)2{2|C<3>,6|H<1>}	N[6](C[5,6]C[5]2N[6])(C[6]C[6,6a]O)(H){2|C<3>,2|C<4>,5|H<1>}	111.9560	0.621	4	111.8448	0.332	8	111.8448	0.332	8	111.8448	0.332	8	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	3:4:4:3:	4:4:1:1:	4:3:1:	N[6]-3:C[5]-4:C[5]-4:N[6]-3:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](N[6]C[6,6a]H)(C[5]C[5]HH)2(N[6]C[6]H)	C[5](C[5,6]C[5]N[6]2)(C[5]C[5]HH)(H)2	N[6](C[5,6]C[5]2N[6])(C[6]C[6,6a]O)(H)	C[5,6](N[6]C[6,6a]H)(C[5]C[5]HH)2(N[6]C[6]H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5]N[6]2)(C[5]C[5]HH)(H)2{2|C<3>,6|H<1>}	N[6](C[5,6]C[5]2N[6])(C[6]C[6,6a]O)(H){2|C<3>,2|C<4>,5|H<1>}	111.7335	0.597	4	111.8448	0.332	8	111.8448	0.332	8	111.8448	0.332	8	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:2:3:3:	3:4:1:1:	4:3:1:	C[5]-4:O[5]-2:C[6]-3:N[6]-3:	C[5,6a]-3:C[5,6]-4:H-1:H-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[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[6]O[5])(H)2	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[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[6]O[5])(H)2{1|N<3>,1|O<1>,2|H<1>,3|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>}	113.8410	0.000	1	113.8410	0.000	1	113.8410	0.000	1	111.6330	9.751	2	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:2:3:3:	3:4:1:1:	4:3:1:	C[5]-4:S[5]-2:C[6]-3:N[6]-3:	C[5,6a]-3:C[5,6]-4:H-1:H-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[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[6]S[5])(H)2	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[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[6]S[5])(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	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>}	109.4250	0.000	1	109.4250	0.000	1	109.4250	0.000	1	111.6330	9.751	2	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:3:3:2:	4:4:1:1:	4:3:4:	C[5]-4:C[6]-3:N[6]-3:O[5]-2:	C[5,6]-4:C[5]-4:H-1:H-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[5](C[5,6]C[6]N[6]O[5])(C[5]N[5]CH)(H)2	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[5](C[5,6]C[6]N[6]O[5])(C[5]N[5]CH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>}	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>}	112.8000	0.000	1	112.8000	0.000	1	112.8000	0.000	1	112.8000	0.000	1	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:3:3:3:	4:3:3:1:	4:4:3:	C[5]-4:N[5]-3:N[6]-3:C[6]-3:	C[5,6]-4:C[5]-3:C[6a]-3:H-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[5](C[5,6]C[6]N[5]N[6])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	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[5](C[5,6]C[6]N[5]N[6])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,7|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>}	117.7470	0.000	1	117.7470	0.000	1	117.7470	0.000	1	117.7470	0.000	1	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:3:3:4:	4:4:3:1:	4:4:2:	C[5]-4:C[5,6]-3:N[6]-3:C-4:	C[5,6]-4:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C-4:N[6]-2:	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(N[6]N[6]C)(CH3)	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	N[6](C[5,6]C[5,6]C[5]C)(CC[6a]HH)(N[6]N[6])	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(N[6]N[6]C)(CH3){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,2|H<1>,2|N<2>,4|C<3>}	N[6](C[5,6]C[5,6]C[5]C)(CC[6a]HH)(N[6]N[6]){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	110.3580	0.211	2	110.3580	0.044	2	110.3580	0.044	2	110.3580	0.044	2	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:3:4:1:	4:2:4:1:	3:4:1:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]HH)(N[6]C[6,6a]H)(C[5]O[5]CH)(H)	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5,6])(CHHO)(H)	N[6](C[6,6a]N[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[5,6](C[5,6]C[5,6]HH)(N[6]C[6,6a]H)(C[5]O[5]CH)(H){1|C<3>,1|H<1>,1|N<3>}	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5,6])(CHHO)(H){1|C<3>,1|N<3>,4|H<1>}	N[6](C[6,6a]N[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	112.1680	0.000	1	112.1680	0.000	1	112.1680	0.000	1	112.1680	0.000	1	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:3:4:1:	4:3:4:1:	3:4:1:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H)	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[5]S)(CCHH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[5]S)(CCHH)(H){1|C<3>,1|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	113.6650	0.000	1	113.9420	0.153	2	114.9020	0.910	5	114.9020	0.910	5	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:3:4:1:	4:3:4:1:	3:4:1:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H)	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[5]S)(CCHH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H){1|S<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[5]S)(CCHH)(H){1|C<3>,1|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	114.2190	0.000	1	113.9420	0.153	2	114.9020	0.910	5	114.9020	0.910	5	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:3:4:1:	4:3:4:1:	3:4:1:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H)	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[5]S)(CC[6a]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H){1|S<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[5]S)(CC[6a]HH)(H){1|C<3>,1|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	115.5420	0.455	3	115.5420	0.207	3	114.9020	0.910	5	114.9020	0.910	5	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:3:4:1:	4:4:1:1:	3:4:4:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:S-4:	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H){1|C<2>,2|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|S<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO){2|C<3>,3|C<4>,4|H<1>}	116.4010	0.000	1	116.4010	0.000	1	117.0115	0.745	2	117.0115	0.745	2	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:3:4:1:	4:4:1:1:	3:4:4:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:S-4:	C[5,6](C[5,6]C[5]S[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)	C[5,6](C[5,6]C[5]S[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H){2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|S<2>,1|S<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO){1|S<2>,2|C<3>,2|C<4>,4|H<1>}	117.6220	0.000	1	117.6220	0.000	1	117.0115	0.745	2	117.0115	0.745	2	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:3:4:1:	4:4:1:1:	4:3:2:	C[5,5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-2:	C[5,6](C[5,5,6]C[5,6]C[5]2)(N[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,5,6]N[6]H)(C[5]C[5]HH)(H)2	N[6](C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(N[6]C[6a]C[6])(C[5]C[5]HH)(H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5,5,6]N[6]H)(C[5]C[5]HH)(H)2{1|C<2>,1|C<3>,2|C<4>,2|H<1>}	N[6](C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6]){3|C<3>,4|C<4>,4|H<1>}	113.1285	2.952	2	113.1285	8.715	2	113.1285	8.715	2	113.1285	8.715	2	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5,5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6](C[5,5,6]C[5,6]C[5]2)(N[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,5,6]N[6]H)(C[5]C[5]HH)(H)2	N[6](C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6]B)	C[5,6](C[5,5,6]C[5,6]C[5]2)(N[6]C[6a]C[6])(C[5]C[5]HH)(H){1|B<4>,1|N<3>,2|C<3>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5,5,6]N[6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6]B){3|C<3>,4|C<4>,4|H<1>}	113.1410	2.891	2	113.1410	8.356	2	113.1180	7.090	4	110.9553	10.829	7	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5,5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6](C[5,5,6]C[5,6]C[5]2)(N[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,5,6]N[6]H)(C[5]C[5]HH)(H)2	N[6](C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6]Rh)	C[5,6](C[5,5,6]C[5,6]C[5]2)(N[6]C[6a]C[6])(C[5]C[5]HH)(H){1|Rh<6>,1|N<3>,2|C<3>,2|C<4>,7|H<1>}	C[5](C[5,6]C[5,5,6]N[6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	N[6](C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6]Rh){3|C<3>,4|C<4>,4|H<1>}	113.0950	3.594	2	113.0950	12.913	2	113.1180	7.090	4	110.9553	10.829	7	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6](C[5,6]C[5,6]CC)(N[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6]Pd)	C[5,6](C[5,6]C[5,6]CC)(N[6]C[6a]C[6])(C[5]C[5]HH)(H){1|Pd<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>}	N[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6]Pd){2|C<3>,2|H<1>,7|C<4>}	108.0717	0.154	3	108.0717	0.024	3	108.0717	0.024	3	110.9553	10.829	7	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:3:4:1:	4:4:1:1:	4:4:3:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:P[6,6]-4:C[6]-3:	C[5,6](C[5,6]C[5,6]CC)(N[6]P[6,6]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2	N[6](C[5,6]C[5,6]C[5]H)(P[6,6]C[3x6]2Rh)(C[6]N[6]H)	C[5,6](C[5,6]C[5,6]CC)(N[6]P[6,6]C[6])(C[5]C[5]HH)(H){1|Rh<4>,1|N<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,1|P<4>,3|C<4>}	N[6](C[5,6]C[5,6]C[5]H)(P[6,6]C[3x6]2Rh)(C[6]N[6]H){2|O<2>,3|H<1>,8|C<4>}	109.1965	0.347	2	109.1965	0.121	2	109.1965	0.121	2	109.1965	0.121	2	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:3:4:1:	4:4:3:1:	4:3:2:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-3:H-1:	C[5,6]-4:C[6a]-3:N[6]-2:	C[5,6](C[5,6]C[5,6,6]HH)(N[6]C[6a]N[6])(C[5]C[5]CH)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6,6]HH)(COO)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(N[6]C[6,6])	C[5,6](C[5,6]C[5,6,6]HH)(N[6]C[6a]N[6])(C[5]C[5]CH)(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6,6]HH)(COO)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(N[6]C[6,6]){2|C<4>,4|C<3>,5|H<1>}	113.2550	0.000	1	113.2550	0.000	1	113.2550	0.000	1	113.2550	0.000	1	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:3:4:1:	4:4:4:1:	3:4:1:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]C[5]CH)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(CC[6a]CH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]C[5]CH)(H){3|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(CC[6a]CH)(H){1|C<3>,1|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){2|C<3>,3|H<1>,4|C<4>}	116.4200	0.744	2	116.4200	0.553	2	116.4200	0.553	2	116.4200	0.553	2	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:3:4:3:	4:4:1:1:	3:4:1:	C[5,6]-4:N[6]-3:C[5]-4:C-3:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]O[6]N)(N[6]C[6,6a]H)(C[5]C[5]HH)(COO)	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)	C[5,6](C[5,6]C[5]O[6]N)(N[6]C[6,6a]H)(C[5]C[5]HH)(COO){2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	115.1170	0.000	1	115.1170	0.000	1	115.1170	0.000	1	115.1170	0.000	1	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:4:2:3:	4:4:4:1:	4:4:3:	C[5]-4:C[6]-4:O[5]-2:N[6]-3:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(N[6]C[6]C)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]N[6]O[5])(CH3)(H)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CCO)	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(N[6]C[6]C){3|C<4>,6|H<1>}	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]N[6]O[5])(CH3)(H){1|C<3>,3|H<1>,6|C<4>}	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CCO){4|H<1>,5|C<4>}	116.2500	0.000	1	116.2500	0.000	1	114.8623	2.010	3	114.8623	2.010	3	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:4:2:3:	4:4:4:1:	4:4:3:	C[5]-4:C[6]-4:O[5]-2:N[6]-3:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(N[6]C[6]C)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]N[6]O[5])(CH3)(H)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(COO)	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(N[6]C[6]C){3|C<4>,6|H<1>}	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]N[6]O[5])(CH3)(H){1|C<3>,3|H<1>,6|C<4>}	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(COO){4|C<4>,5|H<1>}	114.1685	1.064	2	114.1685	1.133	2	114.8623	2.010	3	114.8623	2.010	3	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:4:3:1:	3:4:1:1:	4:3:1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]HH)(N[6]C[6]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O)(H)	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]HH)(N[6]C[6]H)(H){1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H)2{3|H<1>,4|C<3>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O)(H){3|H<1>,4|C<3>}	109.0850	0.000	1	109.0850	0.000	1	109.0850	0.000	1	109.0850	0.000	1	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:4:3:1:	4:3:1:1:	4:2:3:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5,6]-4:N[6]-2:C-3:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(N[6]N[6]C)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]O)(H)2	N[6](C[5,6]C[5,6]C[5]H)(N[6]C[6])(CC[6a]O)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(N[6]N[6]C)(H){1|C<3>,1|O<1>,2|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[6](C[5,6]C[5,6]C[5]H)(N[6]C[6])(CC[6a]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	110.7210	0.000	1	110.7210	0.000	1	110.7210	0.000	1	110.7210	0.000	1	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:4:3:1:	4:3:1:1:	4:3:1:	C[3,5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[3,5,6]C[6,6a]C[3,5]C[3])(C[5]N[5]HH)(N[6]C[6]H)(H)	C[5](C[5,6]C[3,5,6]N[6]H)(N[5]C[3,5]C)(H)2	N[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6,6a]O)(H)	C[5,6](C[3,5,6]C[6,6a]C[3,5]C[3])(C[5]N[5]HH)(N[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[3,5,6]N[6]H)(N[5]C[3,5]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	N[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6,6a]O)(H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,2|H<1>}	109.6520	0.000	1	109.6520	0.000	1	109.6520	0.000	1	109.6520	0.000	1	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:4:3:1:	4:3:4:1:	4:3:1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(N[6]C[6]H)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]O)(CCHH)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(N[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]O)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	111.7120	0.000	1	111.7120	0.000	1	111.7120	0.000	1	111.7120	0.000	1	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:4:3:1:	4:4:1:1:	4:3:1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(N[6]C[6]H)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]HH)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O)(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(N[6]C[6]H)(H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]HH)(H)2{2|C<3>,2|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	110.4060	0.000	1	110.4060	0.000	1	110.4060	0.000	1	110.4060	0.000	1	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:4:3:1:	4:4:1:1:	4:3:3:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C-3:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(N[6]C[6]C)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]S)(CC[6a]O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(N[6]C[6]C)(H){1|N<2>,1|S<2>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]S)(CC[6a]O){3|C<4>,3|H<1>}	116.6580	0.000	1	116.6580	0.000	1	116.6580	0.000	1	116.6580	0.000	1	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:4:3:1:	4:4:1:1:	4:3:4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]B[6,6]N[6])(CCHH)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H){1|B<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,4|C<4>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]B[6,6]N[6])(CCHH){2|H<1>,7|C<4>}	109.2090	0.587	2	109.7020	0.901	3	109.2646	0.626	10	109.2646	0.626	10	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:4:3:1:	4:4:1:1:	4:3:4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]B[6,6]N[6])(CCHH)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H){1|B<4>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,4|C<4>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]B[6,6]N[6])(CCHH){3|H<1>,7|C<4>}	110.6880	0.000	1	109.7020	0.901	3	109.2646	0.626	10	109.2646	0.626	10	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:4:3:1:	4:4:1:1:	4:3:4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]B)(CH3)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H){1|B<4>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,4|C<4>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]B)(CH3){2|H<1>,5|C<4>}	109.8510	0.000	1	109.8510	0.000	1	109.2646	0.626	10	109.2646	0.626	10	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:4:3:1:	4:4:1:1:	4:3:4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]H)(CC[6a]CH)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H){1|C<4>,1|N<3>,3|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,4|C<4>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]H)(CC[6a]CH){2|H<1>,5|C<4>}	109.4460	0.164	2	109.4460	0.027	2	109.2646	0.626	10	109.2646	0.626	10	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:4:3:1:	4:4:1:1:	4:3:4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]H)(CC[6a]HH)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H){1|C<4>,1|N<3>,3|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,4|C<4>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]H)(CC[6a]HH){2|H<1>,5|C<4>}	108.8330	0.815	3	108.8330	0.665	3	109.2646	0.626	10	109.2646	0.626	10	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:4:3:1:	4:4:1:1:	4:3:4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]Ni)(CC[6]CH)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H){1|Ni<4>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,4|C<4>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]Ni)(CC[6]CH){2|H<1>,5|C<4>}	108.2980	0.000	1	108.2980	0.000	1	109.2646	0.626	10	109.2646	0.626	10	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:4:3:1:	4:4:1:1:	4:4:3:	C[5,6,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(N[6]C[6]C)(H)	C[5](C[5,6]C[5,6,6]N[6]H)(C[5]C[5,6]HH)(H)2	N[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CC[6a]O)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(N[6]C[6]C)(H){1|O<1>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6,6]N[6]H)(C[5]C[5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	N[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CC[6a]O){1|C<3>,3|C<4>,4|H<1>}	122.1690	0.000	1	122.1690	0.000	1	122.1690	0.000	1	118.4617	10.694	3	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:4:3:1:	4:4:1:1:	4:4:3:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,5]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(N[6]C[6]C)(H)	C[5](C[5,5]C[5,6]C[5]O[5])(C[5,6]C[5,6]N[6]H)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]O)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(N[6]C[6]C)(H){3|C<4>,4|H<1>}	C[5](C[5,5]C[5,6]C[5]O[5])(C[5,6]C[5,6]N[6]H)(H)2{1|C<3>,3|H<1>,6|C<4>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]O){1|O<2>,2|C<4>,5|H<1>}	116.6080	0.878	2	116.6080	0.771	2	116.6080	0.771	2	118.4617	10.694	3	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:4:3:1:	4:4:2:1:	4:3:1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(N[6]C[6]H)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]HH)(OH)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(N[6]C[6]H)(H){1|O<1>,1|O<2>,1|S<4>,4|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]HH)(OH)(H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	111.1880	1.683	2	111.1880	2.832	2	111.1880	2.832	2	111.1880	2.832	2	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:4:3:1:	4:4:4:1:	4:4:3:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,6]CH)(N[6]C[6]C)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5,6]C[6]2O[5])(CH3)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]O)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,6]CH)(N[6]C[6]C)(H){3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5,6]C[6]2O[5])(CH3)(H){2|C<4>,3|C<3>,3|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	116.9550	0.000	1	116.9550	0.000	1	116.9550	0.000	1	116.9550	0.000	1	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:4:3:2:	4:4:1:1:	4:3:4:	C[6]-4:C[5]-4:N[6]-3:O[5]-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[6]C[6,6]HO)(C[5]C[5]HH)(N[6]C[6]C)(O[5]C[5])	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[5]HH)(H)2	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6]H)(CC[6a]HH)	C[5,6](C[6]C[6,6]HO)(C[5]C[5]HH)(N[6]C[6]C)(O[5]C[5]){2|C<3>,5|H<1>}	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6]H)(CC[6a]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	111.5363	0.621	6	111.5363	0.386	6	112.1571	1.628	8	112.1571	1.628	8	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:4:3:2:	4:4:1:1:	4:3:4:	C[6]-4:C[5]-4:N[6]-3:O[5]-2:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[6]C[6,6]HO)(C[5]C[5]HH)(N[6]C[6]C)(O[5]C[5])	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[5]HH)(H)2	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6]H)(CH3)	C[5,6](C[6]C[6,6]HO)(C[5]C[5]HH)(N[6]C[6]C)(O[5]C[5]){2|C<3>,5|H<1>}	C[5](C[5,6]C[6]N[6]O[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6]H)(CH3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	114.0195	0.469	2	114.0195	0.220	2	112.1571	1.628	8	112.1571	1.628	8	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:4:3:3:	3:4:1:1:	4:3:1:	C[5]-4:C[5]-4:C[6]-3:N[6]-3:	C[5,6a]-3:C[5,6]-4:H-1:H-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[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])(H)2	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[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])(H)2{1|C<2>,1|N<3>,1|O<1>,3|C<3>,3|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>}	107.4260	0.000	1	108.9755	1.830	8	108.9055	1.038	14	108.9055	1.038	14	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:4:3:3:	3:4:1:1:	4:3:1:	C[5]-4:C[5]-4:C[6]-3:N[6]-3:	C[5,6a]-3:C[5,6]-4:H-1:H-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[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])(H)2	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[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])(H)2{1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|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>}	109.4250	1.255	6	108.9755	1.830	8	108.9055	1.038	14	108.9055	1.038	14	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:4:3:3:	3:4:1:1:	4:3:1:	C[5]-4:C[5]-4:C[6]-3:N[6]-3:	C[5,6a]-3:C[5,6]-4:H-1:H-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[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])(H)2	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[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])(H)2{1|N<3>,1|O<1>,3|H<1>,4|C<3>}	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>}	107.8280	0.000	1	108.9755	1.830	8	108.9055	1.038	14	108.9055	1.038	14	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:4:3:3:	3:4:1:1:	4:3:1:	C[5]-4:C[5]-4:C[6]-3:N[6]-3:	C[5,6a]-3:C[5,6]-4:H-1:H-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[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])(H)2	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[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])(H)2{1|C<2>,1|N<3>,1|O<1>,3|C<3>,3|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>}	108.7610	0.506	2	108.8122	0.120	6	108.9055	1.038	14	108.9055	1.038	14	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:4:3:3:	3:4:1:1:	4:3:1:	C[5]-4:C[5]-4:C[6]-3:N[6]-3:	C[5,6a]-3:C[5,6]-4:H-1:H-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[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])(H)2	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[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])(H)2{1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|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>}	108.9095	0.548	2	108.8122	0.120	6	108.9055	1.038	14	108.9055	1.038	14	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:4:3:3:	3:4:1:1:	4:3:1:	C[5]-4:C[5]-4:C[6]-3:N[6]-3:	C[5,6a]-3:C[5,6]-4:H-1:H-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[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])(H)2	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[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]N[6])(H)2{1|N<3>,1|O<1>,3|C<3>,4|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>}	108.7660	0.113	2	108.8122	0.120	6	108.9055	1.038	14	108.9055	1.038	14	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:4:3:3:	4:3:1:1:	3:4:1:	C[5,6]-4:C[5]-4:C[5]-3:N[6]-3:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(N[6]C[6,6a]H)	C[5](C[5,6]C[5,6]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H)	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(N[6]C[6,6a]H){8|C<3>}	C[5](C[5,6]C[5,6]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	111.1240	0.000	1	111.1240	0.000	1	111.1240	0.000	1	111.1240	0.000	1	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:4:3:3:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-4:C[6]-3:N[6]-3:	C[5,6]-4:N[5]-3:H-1:H-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[5](C[5,6]C[5]C[6]N[6])(N[5]C[5]C)(H)2	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[5](C[5,6]C[5]C[6]N[6])(N[5]C[5]C)(H)2{1|N<3>,1|O<1>,2|C<3>,4|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>}	109.9870	0.000	1	109.9870	0.000	1	109.9870	0.000	1	109.9870	0.000	1	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:4:3:3:	4:4:1:1:	4:3:1:	C[5]-4:C[5]-4:C[6]-3:N[6]-3:	C[5,6]-4:C[5]-4:H-1:H-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[5](C[5,6]C[5]C[6]N[6])(C[5]N[5]CH)(H)2	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[5](C[5,6]C[5]C[6]N[6])(C[5]N[5]CH)(H)2{1|N<3>,1|O<1>,2|C<3>,3|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>}	110.9350	0.000	1	110.9350	0.000	1	110.9350	0.000	1	110.9350	0.000	1	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:4:3:3:	4:4:1:1:	4:4:3:	C[6]-4:C[5]-4:C[5]-3:N[6]-3:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6](C[6]C[6,6a]HH)(C[5]C[5]HH)(C[5]N[5]O)(N[6]C[6]C)	C[5](C[5,6]C[5]C[6]N[6])(C[5]N[5]HH)(H)2	N[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(CCO)	C[5,6](C[6]C[6,6a]HH)(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[5](C[5,6]C[5]C[6]N[6])(C[5]N[5]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(CCO){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	113.3930	0.000	1	113.3930	0.000	1	113.3930	0.000	1	113.3930	0.000	1	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:4:3:4:	4:4:1:1:	4:3:1:	C[5,6]-4:C[5]-4:N[6]-3:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]H)(CH3)	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]HH)(H)2	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]H)(H)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]H)(CH3){1|N<3>,4|H<1>}	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]H)(H){1|P<4>,2|H<1>,4|C<4>}	106.4220	0.071	2	106.4220	0.005	2	106.4220	0.005	2	106.4220	0.005	2	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:4:3:4:	4:4:1:1:	4:3:4:	C[5,6]-4:C[5]-4:N[6]-3:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3)	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]HH)(H)2	N[6](C[5,6]C[5,6]C[5]C)(C[6]B[6,6]N[6])(CCHH)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3){1|B<3>,1|N<3>,3|H<1>}	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	N[6](C[5,6]C[5,6]C[5]C)(C[6]B[6,6]N[6])(CCHH){2|H<1>,7|C<4>}	108.0190	0.687	2	108.5227	0.997	3	107.9631	0.456	13	107.9631	0.456	13	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:4:3:4:	4:4:1:1:	4:3:4:	C[5,6]-4:C[5]-4:N[6]-3:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3)	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]HH)(H)2	N[6](C[5,6]C[5,6]C[5]C)(C[6]B[6,6]N[6])(CCHH)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3){1|B<4>,1|N<3>,3|H<1>}	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	N[6](C[5,6]C[5,6]C[5]C)(C[6]B[6,6]N[6])(CCHH){3|H<1>,7|C<4>}	109.5300	0.000	1	108.5227	0.997	3	107.9631	0.456	13	107.9631	0.456	13	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:4:3:4:	4:4:1:1:	4:3:4:	C[5,6]-4:C[5]-4:N[6]-3:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3)	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]HH)(H)2	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]B)(CH3)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3){1|B<4>,1|N<3>,3|H<1>}	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]B)(CH3){2|H<1>,5|C<4>}	107.0290	0.000	1	107.0290	0.000	1	107.9631	0.456	13	107.9631	0.456	13	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:4:3:4:	4:4:1:1:	4:3:4:	C[5,6]-4:C[5]-4:N[6]-3:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3)	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]HH)(H)2	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]H)(CC[6a]HH)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3){1|N<3>,4|H<1>}	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]H)(CC[6a]HH){2|H<1>,5|C<4>}	107.8736	0.258	5	107.8736	0.067	5	107.9631	0.456	13	107.9631	0.456	13	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:4:3:4:	4:4:1:1:	4:3:4:	C[5,6]-4:C[5]-4:N[6]-3:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3)	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]HH)(H)2	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]Ni)(CC[6a]HH)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3){1|Ni<4>,1|N<3>,3|H<1>}	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]Ni)(CC[6a]HH){2|H<1>,5|C<4>}	107.6370	0.000	1	107.6370	0.000	1	107.9631	0.456	13	107.9631	0.456	13	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:4:3:4:	4:4:1:1:	4:3:4:	C[5,6]-4:C[5]-4:N[6]-3:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3)	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]HH)(H)2	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]Pd)(CH3)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3){1|Pd<4>,1|N<3>,3|H<1>}	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]Pd)(CH3){1|C<3>,2|H<1>,4|C<4>}	107.9727	0.792	3	107.9727	0.627	3	107.9631	0.456	13	107.9631	0.456	13	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5,6]	C[5]	N[6]	4:4:4:3:	4:4:1:1:	4:4:3:	C[5]-4:C[5]-4:C[6]-4:N[6]-3:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6](C[5]C[5]HH)2(C[6]C[6]HO)(N[6]C[6]C)	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HO)(H)2	N[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCO)	C[5,6](C[5]C[5]HH)2(C[6]C[6]HO)(N[6]C[6]C){1|C<4>,3|O<2>,5|H<1>}	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HO)(H)2{1|C<3>,2|C<4>,2|O<2>,4|H<1>}	N[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(CCO){2|O<2>,3|C<4>,6|H<1>}	112.4675	0.446	2	112.4675	0.199	2	112.4675	0.199	2	112.4675	0.199	2	111.6056	9.408	129	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5]	C[5,5]	N[6]	4:3:2:1:	4:4:2:1:	4:3:3:	C[5,5]-4:N[6]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[6]2)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6]O[5]H)(O[5]C[5])(H)	N[6](C[5]C[5,5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6]O[5]H)(O[5]C[5])(H){1|H<1>,2|C<3>,3|C<4>}	N[6](C[5]C[5,5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	116.4550	0.000	1	116.4550	0.000	1	116.4550	0.000	1	116.4550	0.000	1	114.6434	2.632	5	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5]	C[5,5]	N[6]	4:3:2:1:	4:4:2:1:	4:4:3:	C[5,5]-4:N[6]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[5,6]C[6])(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6]O[5]H)(O[5]C[5])(H)	N[6](C[5,6]C[5]C[6]O[5])(C[5]C[5,5]O[5]H)(C[6]N[6]O)	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[5,6]C[6])(O[5]C[5])(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,4|C<4>}	N[6](C[5,6]C[5]C[6]O[5])(C[5]C[5,5]O[5]H)(C[6]N[6]O){1|C<3>,3|C<4>,3|O<2>,5|H<1>}	114.8710	0.000	1	114.8710	0.000	1	114.8710	0.000	1	114.1905	2.141	4	114.6434	2.632	5	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5]	C[5,5]	N[6]	4:3:2:1:	4:4:2:1:	4:4:3:	C[5,5]-4:N[6]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-3:	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[6]2)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6]O[5]H)(O[5]C[5])(H)	N[6](C[5]C[5,5]O[5]H)(C[6]C[6]HN)(C[6]N[6]O)	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[6]2)(O[5]C[5])(H){1|O<1>,1|O<2>,2|N<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,4|C<4>}	N[6](C[5]C[5,5]O[5]H)(C[6]C[6]HN)(C[6]N[6]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	112.7520	0.000	1	112.7520	0.000	1	113.9637	2.903	3	114.1905	2.141	4	114.6434	2.632	5	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5]	C[5,5]	N[6]	4:3:2:1:	4:4:2:1:	4:4:3:	C[5,5]-4:N[6]-3:O[5]-2:H-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:C[6]-4:C[6]-3:	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[6]2)(O[5]C[5])(H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6]O[5]H)(O[5]C[5])(H)	N[6](C[5]C[5,5]O[5]H)(C[6]C[6]HS)(C[6]N[6]O)	C[5](C[5,5]C[5,5]O[5]H)(N[6]C[6]2)(O[5]C[5])(H){1|N<3>,1|O<1>,1|O<2>,1|S<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]N[6]O[5]H)(O[5]C[5])(H){1|C<3>,1|H<1>,4|C<4>}	N[6](C[5]C[5,5]O[5]H)(C[6]C[6]HS)(C[6]N[6]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	114.5695	1.899	2	114.5695	3.605	2	113.9637	2.903	3	114.1905	2.141	4	114.6434	2.632	5	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5]	C[5]	N[6]	3:4:2:1:	4:4:2:1:	3:4:3:	N[6]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[6,6]-3:C[5]-4:C[6]-3:	C[5](N[6]C[6,6]C[6])(C[5]C[5]HO)(O[5]C[5])(H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HH)(OH)(H)	N[6](C[6,6]C[6,6]N[6])(C[5]C[5]O[5]H)(C[6]N[6]H)	C[5](N[6]C[6,6]C[6])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,2|N<2>,4|H<1>}	C[5](C[5]N[6]O[5]H)(C[5]C[5]HH)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6]C[6,6]N[6])(C[5]C[5]O[5]H)(C[6]N[6]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	112.2740	0.000	1	112.2740	0.000	1	112.2740	0.000	1	112.2740	0.000	1	112.7804	3.235	55	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5]	C[5]	N[6]	3:4:4:1:	4:4:1:1:	3:3:4:	N[6]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[5]-4:	C[5](N[6]C[6,6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5]2H)	C[5](N[6]C[6,6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){4|C<3>,4|H<1>}	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5]2H){1|O<2>,2|C<4>,5|C<3>,5|H<1>}	117.9900	0.000	1	117.9900	0.000	1	117.9900	0.000	1	117.9900	0.000	1	112.7804	3.235	55	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5]	C[5]	N[6]	3:4:4:1:	4:4:2:1:	3:3:4:	N[6]-3:C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[6,6a]-3:C[6,6a]-3:C[5]-4:	C[5](N[6]C[6,6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(OC)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5]2H)	C[5](N[6]C[6,6a]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){4|C<3>,4|H<1>}	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(OC)(H){2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5]2H){1|O<2>,2|C<4>,5|C<3>,5|H<1>}	114.5950	0.000	1	114.5950	0.000	1	114.5950	0.000	1	114.5950	0.000	1	112.7804	3.235	55	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5]	C[5]	N[6]	4:2:3:1:	4:4:1:1:	4:3:3:	C[5]-4:O[5]-2:N[6]-3:H-1:	C[3,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5](C[5]C[3,5]HH)(O[5]C[3,5])(N[6]C[6]2)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]N[6]O[5]H)(H)2	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[5](C[5]C[3,5]HH)(O[5]C[3,5])(N[6]C[6]2)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[5]N[6]O[5]H)(H)2{1|C<4>,2|C<3>,2|F<1>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,2|C<4>,4|H<1>}	113.9360	0.000	1	113.9360	0.000	1	113.9360	0.000	1	113.9445	0.000	2	112.7804	3.235	55	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5]	C[5]	N[6]	4:2:3:1:	4:4:1:1:	4:3:3:	C[5]-4:O[5]-2:N[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(N[6]C[6]2)(H)	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[6]O[5]H)(H)2	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(N[6]C[6]2)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]O)(C[5]N[6]O[5]H)(H)2{2|C<3>,2|H<1>,3|C<4>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,2|H<1>,3|C<4>}	113.9530	0.000	1	113.9530	0.000	1	113.9530	0.000	1	113.9445	0.000	2	112.7804	3.235	55	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5]	C[5]	N[6]	4:3:2:1:	4:2:1:1:	4:3:3:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:S[5]-2:H-1:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5](C[5]S[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	C[5](C[5]N[6]O[5]H)(S[5]C[5])(H)2	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[5](C[5]S[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5]N[6]O[5]H)(S[5]C[5])(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|S<2>,4|H<1>}	111.6588	1.075	25	111.6588	1.155	25	111.6588	1.155	25	111.6588	1.155	25	112.7804	3.235	55	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5]	C[5]	N[6]	4:3:2:1:	4:4:1:1:	4:3:2:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-3:C[6]-2:	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2	N[6](C[5]C[5]O[5]H)(C[6]N[6]O)(C[6]C[6])	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>}	N[6](C[5]C[5]O[5]H)(C[6]N[6]O)(C[6]C[6]){1|C<3>,2|H<1>,3|C<4>}	112.0780	0.000	1	112.0780	0.000	1	112.0780	0.000	1	112.0780	0.000	1	112.7804	3.235	55	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5]	C[5]	N[6]	4:3:2:1:	4:4:1:1:	4:3:3:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:C[6]-3:C[6]-3:	C[5](C[5]C[5]FF)(N[6]C[6]2)(O[5]C[5])(H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]CC)(F)2	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[5](C[5]C[5]FF)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](C[5]N[6]O[5]H)(C[5]C[5]CC)(F)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,2|C<4>,2|F<1>,2|H<1>}	113.1410	0.000	1	113.1410	0.000	1	112.8010	0.231	2	113.2564	2.606	14	112.7804	3.235	55	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5]	C[5]	N[6]	4:3:2:1:	4:4:1:1:	4:3:3:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:C[6]-3:C[6]-3:	C[5](C[5]C[5]FF)(N[6]C[6]2)(O[5]C[5])(H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(F)2	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[5](C[5]C[5]FF)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(F)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,2|C<4>,2|F<1>,2|H<1>}	112.4610	0.000	1	112.4610	0.000	1	112.8010	0.231	2	113.2564	2.606	14	112.7804	3.235	55	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5]	C[5]	N[6]	4:3:2:1:	4:4:1:1:	4:3:3:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5](C[5]C[5]FH)(N[6]C[6]2)(O[5]C[5])(H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]FH)(F)(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[5](C[5]C[5]FH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<2>,1|O<1>,3|H<1>}	C[5](C[5]N[6]O[5]H)(C[5]C[5]FH)(F)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,1|F<1>,1|H<1>,3|C<4>}	114.1800	0.000	1	114.1800	0.000	1	114.1800	0.000	1	113.2564	2.606	14	112.7804	3.235	55	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5]	C[5]	N[6]	4:3:2:1:	4:4:1:1:	4:3:3:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	C[5](C[5]C[5]N[5]H)(C[5]N[6]O[5]H)(H)2	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]N[6]O[5]H)(H)2{1|H<1>,2|C<4>,3|C<3>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,2|H<1>,3|C<4>}	115.1120	0.000	1	115.1120	0.000	1	113.2552	3.238	11	113.2564	2.606	14	112.7804	3.235	55	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5]	C[5]	N[6]	4:3:2:1:	4:4:1:1:	4:3:3:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HH)(H)2	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5](C[5]N[6]O[5]H)(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,2|C<4>,4|H<1>}	111.2315	0.345	4	111.2315	0.119	4	113.2552	3.238	11	113.2564	2.606	14	112.7804	3.235	55	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5]	C[5]	N[6]	4:3:2:1:	4:4:1:1:	4:3:3:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2	N[6](C[5]C[5]O[5]H)(C[6]C[6]C)(C[6]C[6]H)	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	113.6340	0.000	1	113.6340	0.000	1	113.2552	3.238	11	113.2564	2.606	14	112.7804	3.235	55	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5]	C[5]	N[6]	4:3:2:1:	4:4:1:1:	4:3:3:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	116.3430	0.000	1	114.4270	1.297	5	113.2552	3.238	11	113.2564	2.606	14	112.7804	3.235	55	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5]	C[5]	N[6]	4:3:2:1:	4:4:1:1:	4:3:3:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,2|H<1>,3|C<4>}	113.7870	0.000	1	114.4270	1.297	5	113.2552	3.238	11	113.2564	2.606	14	112.7804	3.235	55	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5]	C[5]	N[6]	4:3:2:1:	4:4:1:1:	4:3:3:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){2|C<3>,2|C<4>,2|H<1>}	114.5450	0.000	1	114.4270	1.297	5	113.2552	3.238	11	113.2564	2.606	14	112.7804	3.235	55	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5]	C[5]	N[6]	4:3:2:1:	4:4:1:1:	4:3:3:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|B<4>,1|C<3>,2|C<4>,3|H<1>}	113.9780	0.000	1	114.4270	1.297	5	113.2552	3.238	11	113.2564	2.606	14	112.7804	3.235	55	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5]	C[5]	N[6]	4:3:2:1:	4:4:1:1:	4:3:3:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|Os<8>,3|C<4>,3|H<1>}	113.4820	0.000	1	114.4270	1.297	5	113.2552	3.238	11	113.2564	2.606	14	112.7804	3.235	55	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5]	C[5]	N[6]	4:3:2:1:	4:4:1:1:	4:4:3:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:C[6]-3:	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2	N[6](C[6]C[6a]C[6]H)(C[5]C[5]O[5]H)(C[6]N[6]O)	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6a]C[6]H)(C[5]C[5]O[5]H)(C[6]N[6]O){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	115.3070	0.000	1	115.8550	0.291	3	115.8550	0.291	3	115.8550	0.291	3	112.7804	3.235	55	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5]	C[5]	N[6]	4:3:2:1:	4:4:1:1:	4:4:3:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:C[6]-3:	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2	N[6](C[6]C[6a]C[6]H)(C[5]C[5]O[5]H)(C[6]N[6]O)	C[5](C[5]C[5]HH)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6a]C[6]H)(C[5]C[5]O[5]H)(C[6]N[6]O){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	116.1290	0.362	2	115.8550	0.291	3	115.8550	0.291	3	115.8550	0.291	3	112.7804	3.235	55	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5]	C[5]	N[6]	4:3:2:1:	4:4:2:1:	4:3:3:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5](C[5]C[5]HO)(N[6]C[6]2)(O[5]C[5])(H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(OH)(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	C[5](C[5]C[5]HO)(N[6]C[6]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	114.5280	0.000	1	114.5280	0.000	1	112.3873	3.437	3	112.3873	3.437	3	112.7804	3.235	55	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5]	C[5]	N[6]	4:3:2:1:	4:4:2:1:	4:3:3:	C[5]-4:N[6]-3:O[5]-2:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5](C[5]C[5]HO)(N[6]C[6]2)(O[5]C[5])(H)	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(OH)(H)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)2	C[5](C[5]C[5]HO)(N[6]C[6]2)(O[5]C[5])(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]N[6]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	111.3170	0.034	2	111.3170	0.001	2	112.3873	3.437	3	112.3873	3.437	3	112.7804	3.235	55	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5]	C[5]	N[6]	4:4:3:1:	4:4:1:1:	3:4:4:	C[5]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[6]-3:C[5]-4:C[6]-4:	C[5](C[5]C[5]HH)2(N[6]C[6]2)(H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2	N[6](C[6]C[6,6]O)(C[5]C[5]2H)(C[6]C[6]HH)	C[5](C[5]C[5]HH)2(N[6]C[6]2)(H){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	N[6](C[6]C[6,6]O)(C[5]C[5]2H)(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<4>,5|H<1>}	114.6005	0.639	2	114.6005	0.408	2	114.6005	0.408	2	114.6005	0.408	2	112.7804	3.235	55	112.5749	9.775	249
474	474	856	0:SP3_SP2_SP3	C[5]	C[5]	N[6]	4:4:3:1:	4:4:1:1:	4:3:3:	C[5]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5](C[5]C[5]HH)2(N[6]C[6]2)(H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2	N[6](C[5]C[5]2H)(C[6]C[6]H)2	C[5](C[5]C[5]HH)2(N[6]C[6]2)(H){2|C<3>,6|H<1>}	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	N[6](C[5]C[5]2H)(C[6]C[6]H)2{1|C<3>,2|C<4>,6|H<1>}	113.5530	0.187	2	113.5530	0.035	2	113.5530	0.035	2	113.5530	0.035	2	112.7804	3.235	55	112.5749	9.775	249
474	474	856	0:SP3_SP3_SP3	C[5,5,3x6]	C[5,6,6]	N[6]	4:3:2:3:	4:3:4:1:	4:4:1:	C[5,6,6]-4:N[5,3x6]-3:O[5,5]-2:N[6]-3:	C[5,5,3x6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,5,3x6]-4:C[6]-4:H-1:	C[5,5,3x6](C[5,6,6]C[6,6a]C[5,6]H)(N[5,3x6]C[5,6]C[6,6])(O[5,5]C[5,5,6])(N[6]C[6]H)	C[5,6,6](C[5,5,3x6]N[5,3x6]O[5,5]N[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]HH)(H)	N[6](C[5,5,3x6]C[5,6,6]N[5,3x6]O[5,5])(C[6]C[6]CH)(H)	C[5,5,3x6](C[5,6,6]C[6,6a]C[5,6]H)(N[5,3x6]C[5,6]C[6,6])(O[5,5]C[5,5,6])(N[6]C[6]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5,6,6](C[5,5,3x6]N[5,3x6]O[5,5]N[6])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5,6]HH)(H){2|C<4>,2|H<1>,4|C<3>}	N[6](C[5,5,3x6]C[5,6,6]N[5,3x6]O[5,5])(C[6]C[6]CH)(H){2|H<1>,3|C<3>,3|C<4>}	118.3540	0.000	1	118.3540	0.000	1	118.3540	0.000	1	118.3540	0.000	1	118.3540	0.000	1	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,5,6]	C[5,5,6]	N[6]	4:4:3:1:	4:4:4:1:	4:4:3:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,4x6]-4:C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[6]-4:C-3:	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H)	C[5,5,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H)	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO)	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[5,5,6](C[5,4x6]C[5,3x6]C[6,6]2)(C[5,5,6]C[5,5,3x6]N[6]H)(C[5,6]C[5,3x6]HH)(H){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO){1|H<1>,7|C<4>}	114.1080	0.000	1	114.1080	0.000	1	114.1080	0.000	1	114.1080	0.000	1	114.1080	0.000	1	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,5,6]	C[5,5]	N[6]	4:4:4:3:	4:4:2:1:	4:4:1:	C[5,5]-4:C[5,6]-4:C[5]-4:N[6]-3:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,5,6]-4:C[6]-4:H-1:	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(N[6]C[6]H)	C[5,5](C[5,5,6]C[5,6]C[5]N[6])(C[5]O[5]CH)(O[5]C[5])(H)	N[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]O[6]CH)(H)	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(N[6]C[6]H){1|O<2>,2|C<4>,6|H<1>}	C[5,5](C[5,5,6]C[5,6]C[5]N[6])(C[5]O[5]CH)(O[5]C[5])(H){2|C<4>,6|H<1>}	N[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]O[6]CH)(H){2|O<2>,3|C<4>,4|H<1>}	113.8770	0.000	1	113.8770	0.000	1	113.8770	0.000	1	113.8770	0.000	1	113.8770	0.000	1	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,5,6]	C[5,6]	N[6]	4:2:3:3:	4:4:3:1:	4:4:4:	C[5,6]-4:O[5,5]-2:C[5,6]-3:N[6]-3:	C[5,6,6]-4:C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:C[6]-4:C[6]-4:	C[5,5,6](C[5,6]C[5,6,6]CH)(O[5,5]C[5,5,6,6])(C[5,6]N[5,6]C)(N[6]C[6]2)	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6a]H)(C[5,5,6]C[5,6]O[5,5]N[6])(COO)(H)	N[6](C[5,5,6]C[5,6]2O[5,5])(C[6]C[6]HH)2	C[5,5,6](C[5,6]C[5,6,6]CH)(O[5,5]C[5,5,6,6])(C[5,6]N[5,6]C)(N[6]C[6]2){1|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,5,6,6]C[6,6a]H)(C[5,5,6]C[5,6]O[5,5]N[6])(COO)(H){1|N<2>,2|C<3>,4|C<4>}	N[6](C[5,5,6]C[5,6]2O[5,5])(C[6]C[6]HH)2{1|C<3>,1|N<2>,1|O<2>,3|C<4>,5|H<1>}	118.4370	0.000	1	118.4370	0.000	1	118.4370	0.000	1	118.4370	0.000	1	118.4370	0.000	1	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,5,6]	C[5]	N[6]	4:4:4:3:	4:2:1:1:	4:4:1:	C[5,5]-4:C[5,6]-4:C[5]-4:N[6]-3:	C[5,5,6]-4:O[5]-2:H-1:H-1:	C[5,5,6]-4:C[6]-4:H-1:	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(N[6]C[6]H)	C[5](C[5,5,6]C[5,5]C[5,6]N[6])(O[5]C[5])(H)2	N[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]O[6]CH)(H)	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(N[6]C[6]H){1|O<2>,2|C<4>,6|H<1>}	C[5](C[5,5,6]C[5,5]C[5,6]N[6])(O[5]C[5])(H)2{1|O<2>,4|C<4>,4|H<1>}	N[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]O[6]CH)(H){2|O<2>,3|C<4>,4|H<1>}	108.7810	0.000	1	108.7810	0.000	1	108.7810	0.000	1	108.7810	0.000	1	108.7810	0.000	1	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6,6]	C[5,5,6]	N[6]	4:4:3:1:	4:4:3:1:	4:4:1:	C[5,5,6]-4:C[5,6,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,6,6]-4:C[6]-4:H-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]H)(N[6]C[6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6a]N[6]H)(H)	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)(N[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,4|H<1>}	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6a]N[6]H)(H){2|H<1>,3|C<4>,4|C<3>}	113.0730	0.000	1	113.0730	0.000	1	113.0730	0.000	1	113.0730	0.000	1	117.7090	27.020	6	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6,6]	C[5,5,6]	N[6]	4:4:3:1:	4:4:4:1:	4:3:4:	C[5,5,6]-4:C[5,6,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:S-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6,6a]S)(H)	C[5,5,6](C[5,6,6]C[5,6,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6,6a]S)(H){1|C<4>,2|C<3>,5|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<2>,1|S<4>,4|H<1>}	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	126.2210	0.000	1	126.2210	0.000	1	126.2210	0.000	1	126.2210	0.000	1	117.7090	27.020	6	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6,6]	C[5,5,6]	N[6]	4:4:3:1:	4:4:4:2:	4:4:4:	C[5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]O[5])(N[6]C[6]C)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,6,6]C[5,3x6]N[6]H)(C[5]C[5,6,6]HO)(O[5]C[5])	N[6](C[5,6,6]C[5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCHH)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]O[5])(N[6]C[6]C)(H){3|O<2>,6|C<4>,6|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,6,6]C[5,3x6]N[6]H)(C[5]C[5,6,6]HO)(O[5]C[5]){6|H<1>,7|C<4>}	N[6](C[5,6,6]C[5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCHH){1|H<1>,1|O<2>,6|C<4>}	118.3820	0.000	1	118.4957	0.204	3	118.4957	0.204	3	118.4957	0.204	3	117.7090	27.020	6	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6,6]	C[5,5,6]	N[6]	4:4:3:1:	4:4:4:2:	4:4:4:	C[5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]O[5])(N[6]C[6]C)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,6,6]C[5,3x6]N[6]H)(C[5]C[5,6,6]HO)(O[5]C[5])	N[6](C[5,6,6]C[5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCHH)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]O[5])(N[6]C[6]C)(H){4|O<2>,5|H<1>,6|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,6,6]C[5,3x6]N[6]H)(C[5]C[5,6,6]HO)(O[5]C[5]){1|O<2>,5|H<1>,7|C<4>}	N[6](C[5,6,6]C[5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCHH){1|O<2>,7|C<4>}	118.1120	0.000	1	118.4957	0.204	3	118.4957	0.204	3	118.4957	0.204	3	117.7090	27.020	6	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6,6]	C[5,5,6]	N[6]	4:4:3:1:	4:4:4:2:	4:4:4:	C[5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5]-4:O[5]-2:	C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]O[5])(N[6]C[6]C)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,6,6]C[5,3x6]N[6]H)(C[5]C[5,6,6]HO)(O[5]C[5])	N[6](C[5,6,6]C[5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCHH)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]O[5])(N[6]C[6]C)(H){4|O<2>,5|H<1>,6|C<4>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]O[5])(C[5,6,6]C[5,3x6]N[6]H)(C[5]C[5,6,6]HO)(O[5]C[5]){6|H<1>,7|C<4>}	N[6](C[5,6,6]C[5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCHH){1|O<2>,7|C<4>}	118.9930	0.000	1	118.4957	0.204	3	118.4957	0.204	3	118.4957	0.204	3	117.7090	27.020	6	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6,6]	C[5,5,6]	N[6]	4:4:4:3:	4:4:3:2:	4:4:1:	C[5,5,6]-4:C[6,6]-4:C[5]-4:N[6]-3:	C[5,6,6]-4:C[5,6,6]-4:C[5]-3:O[5]-2:	C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(N[6]C[6]H)	C[5,5,6](C[5,6,6]C[6,6]C[5]N[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]H)(O[5]C[5])	N[6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6]C[6]HH)(H)	C[5,6,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(N[6]C[6]H){1|O<2>,3|C<3>,3|C<4>,7|H<1>}	C[5,5,6](C[5,6,6]C[6,6]C[5]N[6])(C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]H)(O[5]C[5]){1|C<3>,1|O<1>,4|C<4>,7|H<1>}	N[6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	111.4730	0.000	1	111.4730	0.000	1	111.4730	0.000	1	111.4730	0.000	1	117.7090	27.020	6	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	N[6]	3:4:4:3:	4:2:4:1:	4:3:2:	C[5,6,6a]-3:C[5,6]-4:C[6]-4:N[6]-3:	C[5,6,6]-4:O[5]-2:C[6]-4:H-1:	C[5,6,6]-4:C[6]-3:O-2:	C[5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[6]C[6]O)	C[5,6](C[5,6,6]C[5,6,6a]C[6]N[6])(O[5]C[5,6a])(C[6]C[6]HH)(H)	N[6](C[5,6,6]C[5,6,6a]C[5,6]C[6])(C[6]C[6]O)(OC)	C[5,6,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[6]C[6]O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6,6a]C[6]N[6])(O[5]C[5,6a])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	N[6](C[5,6,6]C[5,6,6a]C[5,6]C[6])(C[6]C[6]O)(OC){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	113.8810	0.000	1	113.8810	0.000	1	113.8810	0.000	1	113.8810	0.000	1	114.8883	0.462	21	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	N[6]	4:4:3:1:	4:4:1:1:	4:4:4:	C[5,5,6,6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:S-4:	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]HH)(N[6]C[6]S)(H)	C[5,6](C[5,6,6]C[5,5,6,6]N[6]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2	N[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]O[6]CH)(SC[6a]OO)	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]HH)(N[6]C[6]S)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,5,6,6]N[6]H)(C[5,5,6]C[5,5]C[5,6]H)(H)2{1|S<4>,2|H<1>,5|C<4>}	N[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]O[6]CH)(SC[6a]OO){2|H<1>,4|C<4>}	114.1790	0.000	1	114.1790	0.000	1	114.1790	0.000	1	114.1790	0.000	1	114.8883	0.462	21	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	N[6]	4:4:3:1:	4:4:4:1:	4:4:4:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(N[6]C[6]C)(H)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[5]C[5,6,6]HO)(C[6]C[6,6]CO)(H)	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(N[6]C[6]C)(H){3|O<2>,5|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[5]C[5,6,6]HO)(C[6]C[6,6]CO)(H){1|C<3>,2|H<1>,5|C<4>}	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH){1|H<1>,7|C<4>}	115.8250	0.000	1	115.8250	0.000	1	115.8250	0.000	1	115.1335	0.180	17	114.8883	0.462	21	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	N[6]	4:4:3:1:	4:4:4:1:	4:4:4:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H)	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){2|O<2>,5|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H){1|O<2>,3|H<1>,7|C<4>}	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH){1|H<1>,1|O<2>,6|C<4>}	115.0240	0.000	1	115.0458	0.174	11	115.0903	0.158	16	115.1335	0.180	17	114.8883	0.462	21	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	N[6]	4:4:3:1:	4:4:4:1:	4:4:4:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H)	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){2|O<2>,5|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H){4|H<1>,7|C<4>}	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH){1|H<1>,1|O<2>,6|C<4>}	115.7160	0.000	1	115.0458	0.174	11	115.0903	0.158	16	115.1335	0.180	17	114.8883	0.462	21	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	N[6]	4:4:3:1:	4:4:4:1:	4:4:4:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H)	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){2|O<2>,5|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H){4|H<1>,7|C<4>}	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH){1|H<1>,7|C<4>}	115.1300	0.521	4	115.0458	0.174	11	115.0903	0.158	16	115.1335	0.180	17	114.8883	0.462	21	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	N[6]	4:4:3:1:	4:4:4:1:	4:4:4:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H)	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){3|O<2>,5|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HH)(H){1|O<2>,3|H<1>,7|C<4>}	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH){1|H<1>,7|C<4>}	114.8488	0.252	5	115.0458	0.174	11	115.0903	0.158	16	115.1335	0.180	17	114.8883	0.462	21	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	N[6]	4:4:3:1:	4:4:4:1:	4:4:4:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H)	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){3|O<2>,5|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H){4|H<1>,7|C<4>}	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH){1|H<1>,7|C<4>}	114.9500	0.212	2	114.9393	0.023	3	115.0903	0.158	16	115.1335	0.180	17	114.8883	0.462	21	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	N[6]	4:4:3:1:	4:4:4:1:	4:4:4:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H)	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){4|O<2>,5|C<4>,5|H<1>}	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H){1|O<2>,3|H<1>,7|C<4>}	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH){1|H<1>,7|C<4>}	114.9180	0.000	1	114.9393	0.023	3	115.0903	0.158	16	115.1335	0.180	17	114.8883	0.462	21	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	N[6]	4:4:3:1:	4:4:4:1:	4:4:4:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H)	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CH3)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){3|O<2>,5|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,3x6]N[6]H)(C[6,6]C[5,6,6]C[6]O)(C[5]C[5,6,6]HO)(H){1|O<2>,3|H<1>,7|C<4>}	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CH3){1|H<1>,7|C<4>}	115.5615	0.217	2	115.5615	0.047	2	115.0903	0.158	16	115.1335	0.180	17	114.8883	0.462	21	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6,6]	C[5,6]	N[6]	4:4:3:2:	4:4:1:1:	4:4:4:	C[5,6,6]-4:C[5,6]-4:N[6]-3:O[5]-2:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]HH)(N[6]C[6]C)(O[5]C[5])	C[5,6](C[5,6,6]C[5,6,6]N[6]O[5])(C[5,6]C[5]C[6]H)(H)2	N[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(CCHH)	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]HH)(N[6]C[6]C)(O[5]C[5]){1|O<1>,5|C<4>,7|H<1>}	C[5,6](C[5,6,6]C[5,6,6]N[6]O[5])(C[5,6]C[5]C[6]H)(H)2{1|O<1>,2|H<1>,5|C<4>}	N[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(CCHH){1|C<3>,4|C<4>,4|H<1>}	113.6625	0.904	2	113.6625	0.818	2	113.6625	0.818	2	113.6625	0.818	2	114.8883	0.462	21	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6,6]	C[5]	N[6,6]	4:3:4:4:	4:4:1:1:	4:4:2:	C[5,6]-4:N[6,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:O-2:	C[5,6,6](C[5,6]C[5]C[6]H)(N[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH)	C[5](C[5,6,6]C[5,6]N[6,6]C[6])(C[5]C[5]HH)(H)2	N[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]O[6]H)(OH)	C[5,6,6](C[5,6]C[5]C[6]H)(N[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|O<2>,9|H<1>}	C[5](C[5,6,6]C[5,6]N[6,6]C[6])(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,5|H<1>}	N[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]O[6]H)(OH){4|C<4>,7|H<1>}	110.7580	0.000	1	110.7580	0.000	1	110.7580	0.000	1	110.7580	0.000	1	110.7580	0.000	1	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6,6]	C[5]	N[6]	4:4:4:3:	4:4:1:1:	4:4:1:	C[5,5,6]-4:C[6,6]-4:C[5]-4:N[6]-3:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(N[6]C[6]H)	C[5](C[5,6,6]C[5,5,6]C[6,6]N[6])(C[5,6]C[5,6,6]C[6]C)(H)2	N[6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6]C[6]HH)(H)	C[5,6,6](C[5,5,6]C[5,6,6]C[5]O[5])(C[6,6]C[6,6]C[6]H)(C[5]C[5,6]HH)(N[6]C[6]H){1|O<2>,3|C<3>,3|C<4>,7|H<1>}	C[5](C[5,6,6]C[5,5,6]C[6,6]N[6])(C[5,6]C[5,6,6]C[6]C)(H)2{1|C<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	N[6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	112.7540	0.000	1	112.7540	0.000	1	112.7540	0.000	1	112.7540	0.000	1	112.7540	0.000	1	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	N[6]	4:4:3:1:	4:4:4:4:	4:4:4:	C[5,5,6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[5,5]-4:C[5,6]-4:C-4:	C[5,6]-4:C[6]-4:C[6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(N[6]C[6]2)(H)	C[5,5,6](C[5,6]C[5,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3)	N[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(N[6]C[6]2)(H){1|C<3>,2|C<4>,9|H<1>}	C[5,5,6](C[5,6]C[5,6]N[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(CH3){3|H<1>,4|C<4>}	N[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)2{1|N<3>,1|O<1>,2|H<1>,6|C<4>}	122.6320	0.000	1	122.6320	0.000	1	122.6320	0.000	1	122.6320	0.000	1	122.6320	0.000	1	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	N[6]	4:4:3:1:	4:4:4:1:	4:4:1:	C[5,3x6]-4:C[5,6,6]-4:N[6]-3:H-1:	C[5,4x6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6]-4:C[6]-4:Cl-1:	C[5,6](C[5,3x6]C[5,3x6]C[3x6]C[6])(C[5,6,6]C[5,4x6]C[6,6]H)(N[6]C[6]Cl)(H)	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]C[6])(C[5,6]C[5,3x6]N[6]H)(C[6,6]C[3x6]HO)(H)	N[6](C[5,6]C[5,3x6]C[5,6,6]H)(C[6]C[6,6]HH)(Cl)	C[5,6](C[5,3x6]C[5,3x6]C[3x6]C[6])(C[5,6,6]C[5,4x6]C[6,6]H)(N[6]C[6]Cl)(H){1|O<2>,7|C<4>,7|H<1>}	C[5,6,6](C[5,4x6]C[5,3x6]C[6,6]C[6])(C[5,6]C[5,3x6]N[6]H)(C[6,6]C[3x6]HO)(H){1|Cl<1>,6|C<4>,6|H<1>}	N[6](C[5,6]C[5,3x6]C[5,6,6]H)(C[6]C[6,6]HH)(Cl){1|H<1>,7|C<4>}	108.8460	0.000	1	108.8460	0.000	1	108.8460	0.000	1	108.8460	0.000	1	108.8460	0.000	1	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	4:3:3:1:	4:3:3:1:	4:4:4:	C[5,6]-4:N[5,6]-3:N[6]-3:H-1:	C[5,6]-4:N[5,6]-3:N[6]-3:H-1:	C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]N[5,6]N[6]H)(N[5,6]C[6,6a]C[5])(N[6]C[6]C)(H)	C[5,6](C[5,6]N[5,6]N[6]H)(N[5,6]C[5]C[6])(N[6]C[6,6a]C)(H)	N[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6,6a]HH)(CHHN)	C[5,6](C[5,6]N[5,6]N[6]H)(N[5,6]C[6,6a]C[5])(N[6]C[6]C)(H){2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]N[5,6]N[6]H)(N[5,6]C[5]C[6])(N[6]C[6,6a]C)(H){2|C<4>,3|C<3>,4|H<1>}	N[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6,6a]HH)(CHHN){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	114.1880	0.000	1	114.1880	0.000	1	114.1880	0.000	1	114.1880	0.000	1	116.7683	6.310	3	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	4:4:3:1:	4:4:4:4:	3:4:1:	C[5,6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(H)	C[5,6](C[5,6]C[5,6]N[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(H){2|C<3>,2|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]N[6]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(H){2|C<3>,2|H<1>,5|C<4>}	119.2060	0.000	1	119.2060	0.000	1	119.2060	0.000	1	119.2060	0.000	1	116.7683	6.310	3	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	4:4:3:1:	4:4:4:4:	4:4:4:	C[5,5,6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:C[6]-4:C[6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(N[6]C[6]2)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[6]H)(CH3)2	N[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(N[6]C[6]2)(H){1|C<3>,2|C<4>,9|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]N[6]H)(CH3)2{4|C<4>,4|H<1>}	N[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)2{1|N<3>,1|O<1>,2|H<1>,6|C<4>}	116.9110	0.000	1	116.9110	0.000	1	116.9110	0.000	1	116.9110	0.000	1	116.7683	6.310	3	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6]	C[5]	N[6,6]	4:3:4:1:	4:4:1:1:	4:4:4:	C[5,6]-4:N[6,6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[6a]C[5]C[6])(N[6,6]C[6,6]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]N[6,6]H)(C[5]C[5]CH)(H)2	N[6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)	C[5,6](C[5,6]C[6a]C[5]C[6])(N[6,6]C[6,6]C[6])(C[5]C[5]HH)(H){3|C<3>,3|C<4>,8|H<1>}	C[5](C[5,6]C[5,6]N[6,6]H)(C[5]C[5]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	119.1150	0.000	1	119.1150	0.000	1	119.1150	0.000	1	119.1150	0.000	1	119.1150	0.000	1	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6]	C[5]	N[6]	2:4:3:4:	4:4:2:1:	4:3:2:	O[5,6]-2:C[5]-4:N[6]-3:C-4:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[6]-3:O-2:	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(N[6]C[6]O)(CCHH)	C[5](C[5,6]O[5,6]N[6]C)(C[5]C[5,6]HH)(OH)(H)	N[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(OC)	C[5,6](O[5,6]C[5,6])(C[5]C[5]HO)(N[6]C[6]O)(CCHH){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6]O[5,6]N[6]C)(C[5]C[5,6]HH)(OH)(H){1|C<3>,1|C<4>,2|O<2>}	N[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(OC){1|H<1>,1|O<2>,4|C<4>}	107.0710	0.000	1	107.0710	0.000	1	107.0710	0.000	1	107.0710	0.000	1	113.7188	14.537	60	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6]	C[5]	N[6]	3:3:4:1:	4:4:1:1:	4:4:3:	N[5,6]-3:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:	C[5,6](N[5,6]C[6,6a]C[5])(N[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6]N[6]H)(C[5]C[5]HH)(H)2	N[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2)	C[5,6](N[5,6]C[6,6a]C[5])(N[6]C[6a]C[6])(C[5]C[5]HH)(H){4|C<3>,6|H<1>}	C[5](C[5,6]N[5,6]N[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	115.8170	0.000	1	115.7265	0.016	2	115.7265	0.016	2	115.7265	0.016	2	113.7188	14.537	60	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6]	C[5]	N[6]	3:3:4:1:	4:4:1:1:	4:4:3:	N[5,6]-3:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[6a]-3:	C[5,6](N[5,6]C[6,6a]C[5])(N[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[5](C[5,6]N[5,6]N[6]H)(C[5]C[5]HH)(H)2	N[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2)	C[5,6](N[5,6]C[6,6a]C[5])(N[6]C[6a]C[6])(C[5]C[5]HH)(H){4|C<3>,6|H<1>}	C[5](C[5,6]N[5,6]N[6]H)(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2){2|H<1>,4|C<3>,4|C<4>}	115.6360	0.000	1	115.7265	0.016	2	115.7265	0.016	2	115.7265	0.016	2	113.7188	14.537	60	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6]	C[5]	N[6]	3:3:4:1:	4:4:4:1:	3:4:1:	N[5,6]-3:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]CH)(H)	C[5](C[5,6]N[5,6]N[6]H)(C[5]C[5]HH)(CC[6a]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]CH)(H){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,6]N[5,6]N[6]H)(C[5]C[5]HH)(CC[6a]HH)(H){2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H){2|H<1>,3|C<3>,3|C<4>}	117.2290	0.000	1	117.2290	0.000	1	117.2290	0.000	1	117.2290	0.000	1	113.7188	14.537	60	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6]	C[5]	N[6]	3:3:4:3:	4:4:1:1:	4:4:1:	N[5,6]-3:C[6a]-3:C[5]-4:N[6]-3:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(N[6]C[6]H)	C[5](C[5,6]N[5,6]C[6a]N[6])(C[5]C[5]HH)(H)2	N[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,8|H<1>}	C[5](C[5,6]N[5,6]C[6a]N[6])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	111.3590	0.000	1	111.3590	0.000	1	111.3590	0.000	1	111.3590	0.000	1	113.7188	14.537	60	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6]	C[5]	N[6]	3:3:4:4:	4:4:1:1:	3:4:1:	C[5,6]-3:N[6]-3:C[5]-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)(CH3)	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)(CH3){2|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5]HH)(H)2{2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H){2|C<4>,3|C<3>,3|H<1>}	112.7030	0.000	1	112.7030	0.000	1	112.7030	0.000	1	111.2325	4.325	2	113.7188	14.537	60	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6]	C[5]	N[6]	3:3:4:4:	4:4:1:1:	3:4:1:	N[5,6]-3:N[6]-3:C[5]-4:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)(CH3)	C[5](C[5,6]N[5,6]N[6]C)(C[5]C[5]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H)	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)(CH3){1|O<1>,2|C<3>,4|H<1>}	C[5](C[5,6]N[5,6]N[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H){2|C<4>,3|C<3>,3|H<1>}	109.7620	0.000	1	109.7620	0.000	1	109.7620	0.000	1	111.2325	4.325	2	113.7188	14.537	60	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6]	C[5]	N[6]	3:4:3:1:	4:2:2:1:	4:4:4:	C[5,6]-3:C[5]-4:N[6]-3:H-1:	C[5,6]-4:O[5]-2:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HO)(N[6]C[6]C)(H)	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5])(OC[6])(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]O[5]HO)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5])(OC[6])(H){1|C<3>,1|O<1>,2|C<4>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|O<2>,3|H<1>}	116.2540	0.000	1	116.2540	0.000	1	116.2540	0.000	1	116.2540	0.000	1	113.7188	14.537	60	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6]	C[5]	N[6]	3:4:3:1:	4:4:1:1:	4:3:3:	N[5,6]-3:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-3:N-3:	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(N[6]C[6]N)(H)	C[5](C[5,6]N[5,6]N[6]H)(C[5]C[5]HH)(H)2	N[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]O)(NCH)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(N[6]C[6]N)(H){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6]N[5,6]N[6]H)(C[5]C[5]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	N[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]O)(NCH){2|C<3>,2|C<4>,2|H<1>}	115.5070	0.764	2	115.5070	0.583	2	115.5070	0.583	2	115.5070	0.583	2	113.7188	14.537	60	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6]	C[5]	N[6]	3:4:3:1:	4:4:1:1:	4:4:4:	C[5,6]-3:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:S-4:	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(N[6]C[6]S)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]HH)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(SC[6a]OO)	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(N[6]C[6]S)(H){1|S<4>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]HH)(H)2{1|C<3>,1|C<4>,2|S<4>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(SC[6a]OO){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	116.6890	0.450	2	116.6890	0.202	2	116.6890	0.202	2	116.6890	0.202	2	113.7188	14.537	60	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6]	C[5]	N[6]	3:4:3:4:	4:2:1:1:	4:3:2:	C[5,6,6a]-3:C[5]-4:N[6]-3:C-4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[6]-3:O-2:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)(N[6]C[6]O)(CH3)	C[5](C[5,6]C[5,6,6a]N[6]C)(O[5]C[5,6a])(H)2	N[6](C[5,6]C[5,6,6a]C[5]C)(C[6]C[6]O)(OC)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]O[5]HH)(N[6]C[6]O)(CH3){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6,6a]N[6]C)(O[5]C[5,6a])(H)2{1|O<2>,3|C<3>}	N[6](C[5,6]C[5,6,6a]C[5]C)(C[6]C[6]O)(OC){1|O<2>,2|C<3>,4|H<1>}	113.7650	0.105	2	113.7650	0.011	2	113.7650	0.011	2	113.7650	0.011	2	113.7188	14.537	60	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6]	C[5]	N[6]	3:4:3:4:	4:4:1:1:	4:4:3:	N[5,6]-3:C[5]-4:N[6]-3:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]C)(CH3)	C[5](C[5,6]N[5,6]N[6]C)(C[5]C[5]HH)(H)2	N[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(CCO)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]C)(CH3){1|C<4>,1|O<1>,6|H<1>}	C[5](C[5,6]N[5,6]N[6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	N[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(CCO){1|C<3>,2|H<1>,4|C<4>}	112.3930	0.000	1	112.3930	0.000	1	112.3930	0.000	1	112.3930	0.000	1	113.7188	14.537	60	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6]	C[5]	N[6]	3:4:4:3:	4:4:1:1:	3:4:1:	N[6]-3:C[5]-4:C[5]-4:N[6]-3:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](N[6]C[6,6a]H)(C[5]C[5]HH)2(N[6]C[6]H)	C[5](C[5,6]C[5]N[6]2)(C[5]C[5]HH)(H)2	N[6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[5]2N[6])(H)	C[5,6](N[6]C[6,6a]H)(C[5]C[5]HH)2(N[6]C[6]H){1|C<3>,1|N<2>,1|O<1>,4|H<1>}	C[5](C[5,6]C[5]N[6]2)(C[5]C[5]HH)(H)2{2|C<3>,6|H<1>}	N[6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[5]2N[6])(H){2|C<4>,3|C<3>,5|H<1>}	111.1020	0.749	4	111.1020	0.562	4	111.1020	0.562	4	111.1020	0.562	4	113.7188	14.537	60	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6]	C[5]	N[6]	3:4:4:4:	4:4:1:1:	3:4:1:	N[6]-3:C[5]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[5]-4:H-1:H-1:	N[5a,6]-3:C[5,6]-4:H-1:	C[5,6](N[6]N[5a,6]H)(C[5]C[5]HH)2(C[6]S[6]CH)	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(H)2	N[6](N[5a,6]C[5a,6]N[5a])(C[5,6]C[5]2C[6])(H)	C[5,6](N[6]N[5a,6]H)(C[5]C[5]HH)2(C[6]S[6]CH){1|C<3>,1|N<2>,4|H<1>}	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,1|S<2>,6|H<1>}	N[6](N[5a,6]C[5a,6]N[5a])(C[5,6]C[5]2C[6])(H){1|N<2>,1|S<2>,2|C<3>,2|C<4>,5|H<1>}	107.4950	2.990	2	107.4950	8.938	2	107.4950	8.938	2	107.4950	8.938	2	113.7188	14.537	60	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6]	C[5]	N[6]	4:3:3:2:	4:3:3:1:	4:4:3:	C[5]-4:N[6]-3:C[6]-3:O[5]-2:	C[5,6]-4:C[5]-3:C[6a]-3:H-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[5](C[5,6]C[6]N[6]O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H)	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[5](C[5,6]C[6]N[6]O[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,6|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>}	117.3630	0.000	1	117.3630	0.000	1	117.3630	0.000	1	117.3630	0.000	1	113.7188	14.537	60	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6]	C[5]	N[6]	4:3:4:1:	4:2:1:1:	4:4:1:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[6,6]-4:H-1:	C[5,6](C[5,6]C[5]N[6]H)(N[6]C[6,6]H)(C[5]O[5]HH)(H)	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5])(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]3)(H)	C[5,6](C[5,6]C[5]N[6]H)(N[6]C[6,6]H)(C[5]O[5]HH)(H){2|H<1>,4|C<4>}	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5])(H)2{1|C<4>,1|N<3>,4|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]3)(H){1|N<3>,1|O<2>,3|C<4>,9|H<1>}	117.5580	0.000	1	117.5580	0.000	1	117.5580	0.000	1	117.5580	0.000	1	113.7188	14.537	60	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6]	C[5]	N[6]	4:3:4:1:	4:3:1:1:	3:4:4:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-3:H-1:H-1:	C[5a,6]-3:C[5,6]-4:S-4:	C[5,6](C[5,6]C[6]O[5]C)(N[6]C[5a,6]S)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]O)(H)2	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)	C[5,6](C[5,6]C[6]O[5]C)(N[6]C[5a,6]S)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]O)(H)2{1|C<3>,1|S<4>,2|C<4>}	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5]H)(SC[6a]OO){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	108.5170	0.000	1	108.5170	0.000	1	108.5170	0.000	1	108.5170	0.000	1	113.7188	14.537	60	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6]	C[5]	N[6]	4:3:4:1:	4:3:2:1:	4:3:4:	C[5,6,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(N[6]C[6a]C[6])(C[5]C[5]HO)(H)	C[5](C[5,6]C[5,6,6]N[6]H)(C[5]N[5,6]O)(OC)(H)	N[6](C[5,6]C[5,6,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(N[6]C[6a]C[6])(C[5]C[5]HO)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6,6]N[6]H)(C[5]N[5,6]O)(OC)(H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[5,6]C[5,6,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,1|O<2>,4|C<3>,5|H<1>}	124.9220	0.000	1	124.9220	0.000	1	124.9220	0.000	1	124.9220	0.000	1	113.7188	14.537	60	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6]	C[5]	N[6]	4:3:4:1:	4:3:4:1:	3:4:1:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H)	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[5]S)(CCHH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[5]S)(CCHH)(H){1|C<3>,1|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	114.1790	0.000	1	114.3920	0.090	3	114.5098	0.276	5	114.5098	0.276	5	113.7188	14.537	60	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6]	C[5]	N[6]	4:3:4:1:	4:3:4:1:	3:4:1:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H)	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[5]S)(CCHH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H){1|S<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[5]S)(CCHH)(H){1|C<3>,1|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	114.4985	0.336	2	114.3920	0.090	3	114.5098	0.276	5	114.5098	0.276	5	113.7188	14.537	60	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6]	C[5]	N[6]	4:3:4:1:	4:3:4:1:	3:4:1:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H)	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[5]S)(CC[6a]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H){1|S<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[5]S)(CC[6a]HH)(H){1|C<3>,1|C<4>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	114.6865	0.904	2	114.6865	0.818	2	114.5098	0.276	5	114.5098	0.276	5	113.7188	14.537	60	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6]	C[5]	N[6]	4:3:4:1:	4:4:1:1:	3:4:4:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:S-4:	C[5,6](C[5,6]C[5]O[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)	C[5,6](C[5,6]C[5]O[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H){2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,1|S<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	119.5460	0.000	1	119.5460	0.000	1	119.5460	0.000	1	119.5460	0.000	1	113.7188	14.537	60	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6]	C[5]	N[6]	4:4:2:3:	4:4:4:1:	4:4:1:	C[5]-4:C[6]-4:O[5]-2:N[6]-3:	C[5,5]-4:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(N[6]C[6]H)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]N[6]O[5])(CH3)(H)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)	C[5,6](C[5]C[5,5]CH)(C[6]C[6]HH)(O[5]C[5,5])(N[6]C[6]H){3|C<4>,6|H<1>}	C[5](C[5,5]C[5,5]C[5,6]H)(C[5,6]C[6]N[6]O[5])(CH3)(H){4|H<1>,6|C<4>}	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H){4|H<1>,5|C<4>}	111.8860	0.000	1	111.8860	0.000	1	111.8860	0.000	1	111.8860	0.000	1	113.7188	14.537	60	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6]	C[5]	N[6]	4:4:3:1:	3:4:1:1:	4:4:4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]HH)(N[6]C[6]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]HH)(N[6]C[6]C)(H){3|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH){2|H<1>,5|C<3>}	115.9357	0.142	3	115.9357	0.020	3	115.9357	0.020	3	114.8322	2.293	5	113.7188	14.537	60	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6]	C[5]	N[6]	4:4:3:1:	3:4:1:1:	4:4:4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:S-4:	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]HH)(N[6]C[6]S)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(SC[6a]OO)	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]HH)(N[6]C[6]S)(H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(SC[6a]OO){3|H<1>,4|C<3>}	113.1770	0.000	2	113.1770	0.000	2	113.1770	0.000	2	114.8322	2.293	5	113.7188	14.537	60	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6]	C[5]	N[6]	4:4:3:1:	3:4:4:1:	4:4:4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,5a]-3:C[5,6]-4:S-4:H-1:	C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]C[5,5a]HS)(N[6]C[6]C)(H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]N[6]H)(SC[6a]OO)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]HH)	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]C[5,5a]HS)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6]C[5,6]N[6]H)(SC[6a]OO)(H){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	114.0850	0.000	1	114.0850	0.000	1	114.0850	0.000	1	111.2510	6.024	3	113.7188	14.537	60	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6]	C[5]	N[6]	4:4:3:1:	3:4:4:1:	4:4:4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C-4:H-1:	C[5,6]-4:C[6]-4:S-4:	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]CH)(N[6]C[6]S)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CH3)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(SC[6a]OO)	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]CH)(N[6]C[6]S)(H){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CH3)(H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(SC[6a]OO){1|C<4>,2|H<1>,4|C<3>}	109.8340	0.000	2	109.8340	0.000	2	109.8340	0.000	2	111.2510	6.024	3	113.7188	14.537	60	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6]	C[5]	N[6]	4:4:3:1:	4:2:1:1:	4:4:4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5]N[6]H)(C[5]O[5]HH)(N[6]C[6]C)(H)	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5])(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CC[6a]HH)	C[5,6](C[5,6]C[5]N[6]H)(C[5]O[5]HH)(N[6]C[6]C)(H){1|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5])(H)2{1|N<3>,2|C<4>,3|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CC[6a]HH){1|N<3>,1|O<2>,3|C<4>,3|H<1>}	118.8430	0.000	1	118.8430	0.000	1	118.8430	0.000	1	118.8430	0.000	1	113.7188	14.537	60	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6]	C[5]	N[6]	4:4:3:1:	4:2:4:1:	4:4:4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-4:C[6]-4:S-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CH)(N[6]C[6]S)(H)	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5,6])(CHHO)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(SC[6a]OO)	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CH)(N[6]C[6]S)(H){1|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(O[5]C[5,6])(CHHO)(H){1|S<4>,2|C<4>,3|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(SC[6a]OO){1|O<2>,2|C<4>,5|H<1>}	110.6000	0.000	1	110.6000	0.000	1	110.6000	0.000	1	110.6000	0.000	1	113.7188	14.537	60	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6]	C[5]	N[6]	4:4:3:1:	4:3:1:1:	4:4:4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:S-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]N[5]HH)(N[6]C[6]S)(H)	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[5,6]S)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(SC[6a]OO)	C[5,6](C[5,6]C[5,6]HO)(C[5]N[5]HH)(N[6]C[6]S)(H){1|C<4>,1|S<4>,3|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[5,6]S)(H)2{1|O<2>,1|S<4>,2|C<4>,2|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|N<3>,2|O<2>,4|H<1>}	114.5240	0.716	2	114.5240	0.512	2	114.5240	0.512	2	114.5240	0.512	2	113.7188	14.537	60	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6]	C[5]	N[6]	4:4:3:1:	4:3:2:1:	4:4:1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:N[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]S[6]H)(C[5]N[6a]O[5]H)(N[6]C[6]H)(H)	C[5](C[5,6]C[5,6]N[6]H)(N[6a]C[6a]2)(O[5]C[5])(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]S[6]H)(C[5]N[6a]O[5]H)(N[6]C[6]H)(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|S<4>,2|C<4>,4|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,1|S<4>,4|H<1>}	108.8590	0.000	1	108.8590	0.000	1	108.8590	0.000	1	109.8425	1.935	2	113.7188	14.537	60	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6]	C[5]	N[6]	4:4:3:1:	4:3:2:1:	4:4:1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:N[6a]-3:O[5]-2:H-1:	C[5,6]-4:S[6]-4:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[5]N[6a]O[5]H)(N[6]S[6]H)(H)	C[5](C[5,6]C[5,6]N[6]H)(N[6a]C[6a]2)(O[5]C[5,6])(H)	N[6](C[5,6]C[5,6]C[5]H)(S[6]C[6]OO)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]N[6a]O[5]H)(N[6]S[6]H)(H){2|C<3>,2|C<4>,2|O<1>}	C[5](C[5,6]C[5,6]N[6]H)(N[6a]C[6a]2)(O[5]C[5,6])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(S[6]C[6]OO)(H){1|C<4>,1|N<3>,2|O<2>,4|H<1>}	110.8260	0.000	1	110.8260	0.000	1	110.8260	0.000	1	109.8425	1.935	2	113.7188	14.537	60	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6]	C[5]	N[6]	4:4:3:1:	4:3:2:1:	4:4:4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-3:O-2:H-1:	C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(N[6]C[6]C)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]O)(OH)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]CH)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(N[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]O)(OH)(H){1|H<1>,3|C<4>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]CH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	121.0680	0.000	1	121.0680	0.000	1	121.0680	0.000	1	121.0680	0.000	1	113.7188	14.537	60	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6]	C[5]	N[6]	4:4:3:1:	4:3:3:1:	3:4:1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]C[5]H)(N[6]C[6,6a]H)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[6a]C[6a]2)(C[5]C[5]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]C[5]H)(N[6]C[6,6a]H)(H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]N[6]H)(C[6a]C[6a]2)(C[5]C[5]O)(H){1|O<2>,3|C<3>,6|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	117.4850	0.000	1	117.4850	0.000	1	117.4850	0.000	1	117.4850	0.000	1	113.7188	14.537	60	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6]	C[5]	N[6]	4:4:3:1:	4:3:4:1:	4:4:3:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(N[6]C[6]C)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]O)(CH3)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,4|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]O)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	124.3090	0.000	1	124.3090	0.000	1	124.3090	0.000	1	124.3090	0.000	1	113.7188	14.537	60	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6]	C[5]	N[6]	4:4:3:1:	4:4:1:1:	4:4:4:	C[5,5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:S-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]S)(H)	C[5](C[5,6]C[5,5,6]N[6]H)(C[5]C[5,5]HH)(H)2	N[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(SC[6a]OO)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]S)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[5](C[5,6]C[5,5,6]N[6]H)(C[5]C[5,5]HH)(H)2{1|S<4>,2|C<3>,3|C<4>}	N[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,3|C<4>,4|H<1>}	117.5760	0.000	1	117.5760	0.000	1	117.5760	0.000	1	117.5760	0.000	1	113.7188	14.537	60	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6]	C[5]	N[6]	4:4:3:1:	4:4:2:1:	4:4:4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-4:O-2:H-1:	C[5,6]-4:C[6]-4:S-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HO)(N[6]C[6]S)(H)	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(OC)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(SC[6a]OO)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HO)(N[6]C[6]S)(H){1|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]HH)(OC)(H){1|S<4>,2|C<4>,3|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(SC[6a]OO){1|O<2>,2|C<4>,5|H<1>}	113.3210	0.000	1	113.3210	0.000	1	113.3210	0.000	1	113.3210	0.000	1	113.7188	14.537	60	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6]	C[5]	N[6]	4:4:3:3:	4:3:1:1:	3:4:1:	C[5,6]-4:C[5]-4:C[5]-3:N[6]-3:	C[5,6]-4:C[5,6a]-3:H-1:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(N[6]C[6,6a]H)	C[5](C[5,6]C[5,6]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H)	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(N[6]C[6,6a]H){8|C<3>}	C[5](C[5,6]C[5,6]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	111.1490	0.000	1	111.1490	0.000	1	111.1490	0.000	1	111.1490	0.000	1	113.7188	14.537	60	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6]	C[5]	N[6]	4:4:3:3:	4:4:1:1:	4:4:1:	C[5]-4:C[6]-4:C[5]-3:N[6]-3:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O)(N[6]C[6]H)	C[5](C[5,6]C[5]C[6]N[6])(C[5]O[5]HH)(H)2	N[6](C[5,6]C[5]2C[6])(C[6]C[6a]C[6]H)(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[5]O[5]O)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5,6]C[5]C[6]N[6])(C[5]O[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6](C[5,6]C[5]2C[6])(C[6]C[6a]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	113.9540	0.000	1	113.9540	0.000	1	113.9540	0.000	1	113.9540	0.000	1	113.7188	14.537	60	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6]	C[5]	N[6]	4:4:3:4:	4:3:3:1:	3:4:1:	C[5,6]-4:C[5]-4:N[6]-3:C-4:	C[5,6]-4:C[5]-3:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]H)(N[6]C[6,6a]H)(CH3)	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]O)(C[6a]C[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]H)(N[6]C[6,6a]H)(CH3){1|C<4>,1|O<1>,4|C<3>}	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5,6]O)(C[6a]C[6a]2)(H){1|C<4>,4|C<3>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H){1|C<4>,4|C<3>,4|H<1>}	112.2500	0.000	1	112.2500	0.000	1	112.2500	0.000	1	112.2500	0.000	1	113.7188	14.537	60	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6]	C[5]	N[6]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,5,6]-4:C[5]-4:N[6]-3:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[5]C[5]HH)(N[6]C[6]H)(CCHH)	C[5](C[5,6]C[5,5,6]N[6]C)(C[5]C[5,6]HH)(H)2	N[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[5]C[5]HH)(N[6]C[6]H)(CCHH){1|C<3>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5,5,6]N[6]C)(C[5]C[5,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	N[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	109.6085	0.248	2	109.6085	0.062	2	109.6085	0.062	2	109.6085	0.062	2	113.7188	14.537	60	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6]	C[5]	N[6]	4:4:4:3:	4:4:1:1:	4:4:2:	C[5]-4:C[5]-4:C[6]-4:N[6]-3:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-2:	C[5,6](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)(N[6]C[6]O)	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(H)2	N[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)	C[5,6](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)(N[6]C[6]O){2|C<4>,7|H<1>}	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,5|H<1>}	N[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH){4|C<4>,7|H<1>}	110.0130	0.000	1	110.0130	0.000	1	110.0130	0.000	1	110.0130	0.000	1	113.7188	14.537	60	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6]	C[5]	N[6]	4:4:4:3:	4:4:1:1:	4:4:4:	C[5]-4:C[5]-4:C[6]-4:N[6]-3:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:S-4:	C[5,6](C[5]C[5]HH)2(C[6]C[6]HH)(N[6]C[6]S)	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(H)2	N[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(SO3)	C[5,6](C[5]C[5]HH)2(C[6]C[6]HH)(N[6]C[6]S){1|C<3>,1|C<4>,7|H<1>}	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(H)2{1|S<4>,2|C<4>,6|H<1>}	N[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(SO3){3|C<4>,8|H<1>}	111.7750	4.395	2	111.7750	19.319	2	111.7750	19.319	2	111.7750	19.319	2	113.7188	14.537	60	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5,6]	C[5]	N[6]	4:4:4:3:	4:4:4:1:	4:4:2:	C[5]-4:C[5]-4:C[6]-4:N[6]-3:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6]-4:C[6]-4:O-2:	C[5,6](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)(N[6]C[6]O)	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(CHHO)(H)	N[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH)	C[5,6](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)(N[6]C[6]O){2|C<4>,7|H<1>}	C[5](C[5,6]C[5]C[6]N[6])(C[5]C[5]HH)(CHHO)(H){1|O<2>,2|C<4>,6|H<1>}	N[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(OH){4|C<4>,7|H<1>}	111.2600	0.000	1	111.2600	0.000	1	111.2600	0.000	1	111.2600	0.000	1	113.7188	14.537	60	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5]	C[5,6]	N[6]	4:4:3:1:	3:4:4:1:	4:4:4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(N[6]C[6]2)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]N[6]H)(C[6]C[6]HH)(H)	N[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(N[6]C[6]2)(H){1|C<3>,4|C<4>,7|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]N[6]H)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	N[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)2{1|N<3>,3|C<4>,7|H<1>}	114.6370	0.000	1	114.6370	0.000	1	114.6370	0.000	1	114.6370	0.000	1	114.7235	0.015	2	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5]	C[5,6]	N[6]	4:4:3:1:	3:4:4:4:	4:4:4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:C-4:	C[5]-4:C[6]-4:C[6]-4:	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]ClH)(N[6]C[6]2)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]N[6]H)(CH3)	N[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)2	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]ClH)(N[6]C[6]2)(H){2|C<3>,3|C<4>,7|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]N[6]H)(CH3){1|Cl<1>,2|C<3>,3|C<4>,6|H<1>}	N[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)2{1|Cl<1>,1|C<3>,1|O<2>,3|C<4>,5|H<1>}	114.8100	0.000	1	114.8100	0.000	1	114.8100	0.000	1	114.8100	0.000	1	114.7235	0.015	2	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5]	C[5]	N[6,6]	3:3:4:1:	4:4:1:1:	4:4:3:	C[5,6a]-3:N[6,6]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6,6]-4:P[6,6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[6,6]C[6,6]P[6,6])(C[5]C[5]HH)(H)	C[5](C[5]C[5,6a]N[6,6]H)(C[5]C[5,6a]HH)(H)2	N[6,6](C[5]C[5,6a]C[5]H)(C[6,6]C[6,6a]2H)(P[6,6]O[6]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[6,6]C[6,6]P[6,6])(C[5]C[5]HH)(H){2|O<2>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6a]N[6,6]H)(C[5]C[5,6a]HH)(H)2{1|C<4>,1|P<3>,2|C<3>}	N[6,6](C[5]C[5,6a]C[5]H)(C[6,6]C[6,6a]2H)(P[6,6]O[6]2){1|C<4>,2|H<1>,6|C<3>}	116.7820	0.000	1	116.7820	0.000	1	116.7820	0.000	1	116.7820	0.000	1	116.7820	0.000	1	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5]	C[5]	N[6]	3:4:3:1:	4:4:1:1:	4:4:4:	C[5,6a]-3:C[5]-4:N[6]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(N[6]C[6]2)(H)	C[5](C[5]C[5,6a]N[6]H)(C[5]C[5,6a]CO)(H)2	N[6](C[5]C[5,6a]C[5]H)(C[6]C[6]HH)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(N[6]C[6]2)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[5](C[5]C[5,6a]N[6]H)(C[5]C[5,6a]CO)(H)2{2|C<3>,2|C<4>}	N[6](C[5]C[5,6a]C[5]H)(C[6]C[6]HH)2{1|C<4>,1|O<2>,2|C<3>,6|H<1>}	118.2790	0.000	1	118.2790	0.000	1	118.2790	0.000	1	118.2790	0.000	1	114.4395	7.196	26	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5]	C[5]	N[6]	4:2:3:1:	3:4:4:4:	4:4:4:	C[5]-4:O[5]-2:N[6]-3:H-1:	C[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[6]-4:C[6]-4:	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(N[6]C[6]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[6]O[5]H)(CCHH)2	N[6](C[5]C[5]O[5]H)(C[6]C[6]HH)2	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(N[6]C[6]2)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[6]O[5]H)(CCHH)2{2|C<4>,3|C<3>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]HH)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	117.2820	0.000	1	117.2820	0.000	1	117.2820	0.000	1	117.2820	0.000	1	114.4395	7.196	26	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5]	C[5]	N[6]	4:3:3:1:	4:3:3:1:	4:4:4:	C[5]-4:C[5]-3:N[6]-3:H-1:	C[5]-4:C[5]-3:C[6]-3:H-1:	C[5]-4:C[6]-4:C[6]-4:	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]2)(H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]O)(C[6]C[6]2)(H)	N[6](C[5]C[5]2H)(C[6]C[6]HH)2	C[5](C[5]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]2)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	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>}	N[6](C[5]C[5]2H)(C[6]C[6]HH)2{1|N<4>,3|C<3>,6|H<1>}	118.7970	0.639	2	118.7970	0.409	2	118.7970	0.409	2	118.7970	0.409	2	114.4395	7.196	26	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5]	C[5]	N[6]	4:4:3:1:	4:4:1:1:	4:4:4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:C[5]-4:Cl-1:H-1:	C[5]-4:C[6]-4:C[6]-4:	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]ClH)(N[6]C[6]2)(H)	C[5](C[5]C[5,6]N[6]H)(C[5]C[5,6]HH)(Cl)(H)	N[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)2	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]ClH)(N[6]C[6]2)(H){2|C<3>,3|C<4>,7|H<1>}	C[5](C[5]C[5,6]N[6]H)(C[5]C[5,6]HH)(Cl)(H){1|C<3>,1|H<1>,4|C<4>}	N[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)2{1|Cl<1>,1|C<3>,1|O<2>,3|C<4>,5|H<1>}	119.8860	0.000	1	119.8860	0.000	1	119.8860	0.000	1	113.7478	5.530	20	114.4395	7.196	26	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5]	C[5]	N[6]	4:4:3:1:	4:4:1:1:	4:4:4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(N[6]C[6]2)(H)	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]N[6]H)(H)2	N[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)2	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HH)(N[6]C[6]2)(H){1|C<3>,4|C<4>,7|H<1>}	C[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]N[6]H)(H)2{1|H<1>,2|C<3>,4|C<4>}	N[6](C[5]C[5,6]C[5]H)(C[6]C[6]HH)2{1|N<3>,3|C<4>,7|H<1>}	117.0960	0.000	1	117.0960	0.000	1	117.0960	0.000	1	113.7478	5.530	20	114.4395	7.196	26	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5]	C[5]	N[6]	4:4:3:1:	4:4:1:1:	4:4:4:	C[5]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2)(H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2	N[6](C[5]C[5]2H)(C[6]C[6]HH)2	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2)(H){2|C<4>,8|H<1>}	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2{1|B<4>,2|C<4>,3|H<1>}	N[6](C[5]C[5]2H)(C[6]C[6]HH)2{1|B<4>,3|C<4>,7|H<1>}	116.4950	1.335	2	116.4950	1.782	2	113.6198	3.287	10	113.7478	5.530	20	114.4395	7.196	26	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5]	C[5]	N[6]	4:4:3:1:	4:4:1:1:	4:4:4:	C[5]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:	C[5](C[5]C[5]HH)2(N[6]C[6]2)(H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2	N[6](C[5]C[5]2H)(C[6]C[6]HH)2	C[5](C[5]C[5]HH)2(N[6]C[6]2)(H){1|S<4>,2|C<4>,7|H<1>}	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2{1|S<4>,2|C<4>,3|H<1>}	N[6](C[5]C[5]2H)(C[6]C[6]HH)2{1|N<3>,2|C<4>,8|H<1>}	113.5888	0.709	4	113.5888	0.503	4	113.6198	3.287	10	113.7478	5.530	20	114.4395	7.196	26	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5]	C[5]	N[6]	4:4:3:1:	4:4:1:1:	4:4:4:	C[5]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6]-4:C[6]-4:	C[5](C[5]C[5]HH)2(N[6]C[6]2)(H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HS)(H)2	N[6](C[5]C[5]2H)(C[6]C[6]HH)2	C[5](C[5]C[5]HH)2(N[6]C[6]2)(H){1|S<4>,2|C<4>,7|H<1>}	C[5](C[5]C[5]N[6]H)(C[5]C[5]HS)(H)2{2|C<4>,4|H<1>}	N[6](C[5]C[5]2H)(C[6]C[6]HH)2{1|N<3>,2|C<4>,8|H<1>}	112.2133	0.783	4	112.2133	0.614	4	113.6198	3.287	10	113.7478	5.530	20	114.4395	7.196	26	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5]	C[5]	N[6]	4:4:3:1:	4:4:1:1:	4:4:4:	C[5]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:C[6]-4:	C[5](C[5]C[5]HH)2(N[6]C[6]2)(H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2	N[6](C[6]C[6,6a]HH)(C[5]C[5]2H)(C[6]C[6]HH)	C[5](C[5]C[5]HH)2(N[6]C[6]2)(H){1|C<3>,1|C<4>,1|S<4>,7|H<1>}	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(H)2{1|S<4>,2|C<4>,3|H<1>}	N[6](C[6]C[6,6a]HH)(C[5]C[5]2H)(C[6]C[6]HH){2|C<3>,2|C<4>,6|H<1>}	113.0282	2.126	4	113.0282	4.519	4	112.7220	2.575	8	113.7478	5.530	20	114.4395	7.196	26	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5]	C[5]	N[6]	4:4:3:1:	4:4:1:1:	4:4:4:	C[5]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[6]-4:C[5]-4:C[6]-4:	C[5](C[5]C[5]HH)2(N[6]C[6]2)(H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HS)(H)2	N[6](C[6]C[6,6a]HH)(C[5]C[5]2H)(C[6]C[6]HH)	C[5](C[5]C[5]HH)2(N[6]C[6]2)(H){1|C<3>,1|C<4>,1|S<4>,7|H<1>}	C[5](C[5]C[5]N[6]H)(C[5]C[5]HS)(H)2{2|C<4>,4|H<1>}	N[6](C[6]C[6,6a]HH)(C[5]C[5]2H)(C[6]C[6]HH){2|C<3>,2|C<4>,6|H<1>}	112.4158	1.113	4	112.4158	1.239	4	112.7220	2.575	8	113.7478	5.530	20	114.4395	7.196	26	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5]	C[5]	N[6]	4:4:3:1:	4:4:4:1:	4:4:4:	C[5]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:B-4:C[5]-4:H-1:	C[5]-4:C[6]-4:C[6]-4:	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2)(H)	C[5](C[5]C[5]N[6]H)(BC[6a]2N[6])(C[5]C[5]HH)(H)	N[6](C[5]C[5]2H)(C[6]C[6]HH)2	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2)(H){2|C<4>,8|H<1>}	C[5](C[5]C[5]N[6]H)(BC[6a]2N[6])(C[5]C[5]HH)(H){2|C<4>,4|H<1>}	N[6](C[5]C[5]2H)(C[6]C[6]HH)2{1|B<4>,3|C<4>,7|H<1>}	112.4670	0.000	1	112.4670	0.000	1	112.4670	0.000	1	113.6580	2.837	2	114.4395	7.196	26	114.4315	11.847	129
474	474	856	0:SP3_SP3_SP3	C[5]	C[5]	N[6]	4:4:3:1:	4:4:4:1:	4:4:4:	C[5]-4:C[5]-4:N[6]-3:H-1:	C[5]-4:C[5]-4:B-4:H-1:	C[5]-4:C[6]-4:C[6]-4:	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2)(H)	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(BC[6a]2C)(H)	N[6](C[5]C[5]2H)(C[6]C[6]HH)2	C[5](C[5]C[5]BH)(C[5]C[5]HH)(N[6]C[6]2)(H){2|C<4>,8|H<1>}	C[5](C[5]C[5]N[6]H)(C[5]C[5]HH)(BC[6a]2C)(H){2|C<4>,4|H<1>}	N[6](C[5]C[5]2H)(C[6]C[6]HH)2{1|B<4>,3|C<4>,7|H<1>}	114.8490	0.000	1	114.8490	0.000	1	114.8490	0.000	1	113.6580	2.837	2	114.4395	7.196	26	114.4315	11.847	129
474	474	856	6:SP3_SP2_SP3	C[5,3x6]	C[5,3x6]	N[6]	3:3:4:3:	3:3:4:3:	4:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:N[6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6,6a]-3:	C[5,3x6]-4:C[6]-3:C-4:	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,3x6]C[5,6,6a]2C[6,6a])(N[6]C[6]C)	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,3x6]C[5,6,6a]2N[6])(C[6,6a]C[6,6a]C[6a])	N[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6]C[6,6a]O)(CC[6a]HH)	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,3x6]C[5,6,6a]2C[6,6a])(N[6]C[6]C){10|C<3>,1|O<1>}	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,3x6]C[5,6,6a]2N[6])(C[6,6a]C[6,6a]C[6a]){11|C<3>,1|C<4>,1|H<1>}	N[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6]C[6,6a]O)(CC[6a]HH){8|C<3>}	113.9720	0.000	1	113.9720	0.000	1	113.9720	0.000	1	113.9720	0.000	1	113.9720	0.000	1	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,3x6]	C[5,5,3x6]	N[6,6]	4:4:3:2:	4:4:4:1:	4:3:1:	C[4,5,6,6]-4:C[5,5,3x6]-4:N[6,6]-3:O-2:	C[5,5,3x6]-4:C[3x5,6]-4:C[5,3x6]-4:H-1:	C[5,3x6]-4:C[6,6]-3: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)(N[6,6]C[6,6]H)(OH)	C[5,5,3x6](C[5,5,3x6]C[3x5,6]C[5,3x6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,3x6]C[4,5,6,6]N[6,6]O)(H)	N[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]O)(C[6,6]C[5,3x6]O)(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)(N[6,6]C[6,6]H)(OH){1|O<1>,4|C<4>,4|H<1>}	C[5,5,3x6](C[5,5,3x6]C[3x5,6]C[5,3x6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,3x6]C[4,5,6,6]N[6,6]O)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	N[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]O)(C[6,6]C[5,3x6]O)(H){1|O<2>,2|H<1>,4|C<4>}	110.9590	0.000	1	110.9590	0.000	1	110.9590	0.000	1	110.9590	0.000	1	110.5895	0.273	2	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,3x6]	C[5,5,3x6]	N[6,6]	4:4:3:3:	4:4:4:1:	4:3:1:	C[4,5,6,6]-4:C[5,5,3x6]-4:N[6,6]-3:N-3:	C[5,5,3x6]-4:C[3x5,6]-4:C[5,3x6]-4:H-1:	C[5,3x6]-4:C[6,6]-3: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)(N[6,6]C[6,6]H)(NHH)	C[5,5,3x6](C[5,5,3x6]C[3x5,6]C[5,3x6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,3x6]C[4,5,6,6]N[6,6]N)(H)	N[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]N)(C[6,6]C[5,3x6]O)(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)(N[6,6]C[6,6]H)(NHH){1|O<1>,4|C<4>,4|H<1>}	C[5,5,3x6](C[5,5,3x6]C[3x5,6]C[5,3x6]H)(C[3x5,6]C[4,5,5,6]C[5,5]H)(C[5,3x6]C[4,5,6,6]N[6,6]N)(H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	N[6,6](C[5,3x6]C[4,5,6,6]C[5,5,3x6]N)(C[6,6]C[5,3x6]O)(H){1|O<2>,2|H<1>,4|C<4>}	110.2200	0.000	1	110.2200	0.000	1	110.2200	0.000	1	110.2200	0.000	1	110.5895	0.273	2	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,3x6]	C[5,6,6]	N[6,6]	4:3:3:4:	4:4:4:1:	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]-4:C[5]-4:H-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]C)(N[6,6]C[6,6]H)(C[5]C[5]HH)	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[3x6]CH)(C[5]C[5]HH)(H)	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[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[3x6]CH)(C[5]C[5]HH)(H){1|C<2>,2|C<3>,6|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>}	106.2310	0.000	1	106.2310	0.000	1	107.9270	5.753	2	107.9270	5.753	2	108.6387	15.009	12	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,3x6]	C[5,6,6]	N[6,6]	4:3:3:4:	4:4:4:1:	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]-4:C[5]-4:H-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[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H)	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[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|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>}	109.6230	0.000	1	109.6230	0.000	1	107.9270	5.753	2	107.9270	5.753	2	108.6387	15.009	12	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,3x6]	C[5,6,6]	N[6,6]	4:3:3:4:	4:4:4:1:	4:3:4:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C[5]-4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-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[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H)	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[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|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>}	106.2690	0.000	1	105.9030	0.268	2	106.2007	0.400	3	106.2007	0.400	3	108.6387	15.009	12	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,3x6]	C[5,6,6]	N[6,6]	4:3:3:4:	4:4:4:1:	4:3:4:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C[5]-4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-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[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H)	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[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,4|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>}	105.5370	0.000	1	105.9030	0.268	2	106.2007	0.400	3	106.2007	0.400	3	108.6387	15.009	12	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,3x6]	C[5,6,6]	N[6,6]	4:3:3:4:	4:4:4:1:	4:3:4:	C[5,6,6]-4:C[6,6]-3:N[6,6]-3:C[5]-4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-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[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5]CC)(H)	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[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5]CC)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	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>}	106.7960	0.000	1	106.7960	0.000	1	106.2007	0.400	3	106.2007	0.400	3	108.6387	15.009	12	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,3x6]	C[5,6,6]	N[6,6]	4:4:3:1:	4:4:2:1:	4:4:3:	C[5,6,6]-4:C[5,6,6]-4:N[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,3x6]-4:C[6,6]-4:C-3:	C[5,3x6](C[5,6,6]C[6,6]C[5]Br)(C[5,6,6]C[6,6]O[5]H)(N[6,6]C[6,6]C)(H)	C[5,6,6](C[5,3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]BrH)(O[5]C[5])(H)	N[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]HH)(COO)	C[5,3x6](C[5,6,6]C[6,6]C[5]Br)(C[5,6,6]C[6,6]O[5]H)(N[6,6]C[6,6]C)(H){1|Br<1>,1|C<4>,1|O<1>,5|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]BrH)(O[5]C[5])(H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]HH)(COO){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	113.5150	0.000	1	113.5150	0.000	1	112.9715	0.591	2	112.9715	0.591	2	108.6387	15.009	12	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,3x6]	C[5,6,6]	N[6,6]	4:4:3:1:	4:4:2:1:	4:4:3:	C[5,6,6]-4:C[5,6,6]-4:N[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:O[5]-2:H-1:	C[5,3x6]-4:C[6,6]-4:C-3:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]H)(N[6,6]C[6,6]C)(H)	C[5,6,6](C[5,3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]BrH)(O[5]C[5])(H)	N[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]HH)(COO)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]H)(N[6,6]C[6,6]C)(H){1|Br<1>,1|C<4>,1|O<1>,5|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]BrH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]HH)(COO){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	112.4280	0.000	1	112.4280	0.000	1	112.9715	0.591	2	112.9715	0.591	2	108.6387	15.009	12	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,3x6]	C[5,6,6]	N[6,6]	4:4:3:1:	4:4:3:1:	4:4:3:	C[5,6,6]-4:C[5,6,6]-4:N[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:Br-1:	C[5,3x6]-4:C[6,6]-4:C-3:	C[5,3x6](C[5,6,6]C[6,6]C[5]Br)(C[5,6,6]C[6,6]O[5]H)(N[6,6]C[6,6]C)(H)	C[5,6,6](C[5,3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]HH)(C[5]O[5]O)(Br)	N[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]HH)(COO)	C[5,3x6](C[5,6,6]C[6,6]C[5]Br)(C[5,6,6]C[6,6]O[5]H)(N[6,6]C[6,6]C)(H){1|Br<1>,1|C<4>,1|O<1>,5|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]HH)(C[5]O[5]O)(Br){1|C<3>,2|C<4>,2|H<1>}	N[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]HH)(COO){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	114.1960	0.000	1	114.1960	0.000	1	114.1960	0.000	1	114.1660	0.002	2	108.6387	15.009	12	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,3x6]	C[5,6,6]	N[6,6]	4:4:3:1:	4:4:3:1:	4:4:3:	C[5,6,6]-4:C[5,6,6]-4:N[6,6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C-3:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]H)(N[6,6]C[6,6]C)(H)	C[5,6,6](C[5,3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]HH)(C[5]O[5]O)(H)	N[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]HH)(COO)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]H)(N[6,6]C[6,6]C)(H){1|Br<1>,1|C<4>,1|O<1>,5|H<1>}	C[5,6,6](C[5,3x6]C[5,6,6]N[6,6]H)(C[6,6]C[3x6]HH)(C[5]O[5]O)(H){1|C<3>,2|C<4>,2|H<1>}	N[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]HH)(COO){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	114.1360	0.000	1	114.1360	0.000	1	114.1360	0.000	1	114.1660	0.002	2	108.6387	15.009	12	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,3x6]	C[5,6,6]	N[6,6]	4:4:3:4:	4:4:4:1:	4:3:1:	C[5,6,6]-4:C[6,6]-4:N[6,6]-3:C[5]-4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-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[3x6]HH)(N[6,6]C[6,6]H)(C[5]C[5,5]HH)	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[4x6]HH)(C[5]C[5,5]CC)(H)	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[4x6]O)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[6,6]N[3x6]HH)(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[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[4x6]HH)(C[5]C[5,5]CC)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	N[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[4x6]O)(H){1|N<3>,4|C<4>,5|H<1>}	105.1840	0.000	2	105.1840	0.000	2	105.1840	0.000	2	105.1840	0.000	2	108.6387	15.009	12	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,3x6]	C[5,6,6]	N[6,6]	4:4:3:4:	4:4:4:1:	4:3:4:	C[5,6,6]-4:C[6,6]-4:N[6,6]-3:C[5]-4:	C[5,3x6]-4:C[6,6]-4:C[5]-4:H-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]HH)(N[6,6]C[6,6]C)(C[5]C[5,5]HH)	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H)	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]HH)(N[6,6]C[6,6]C)(C[5]C[5,5]HH){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5,5]CC)(H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	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>,4|C<4>,5|H<1>}	104.5650	0.000	1	104.5650	0.000	1	104.5650	0.000	1	104.5650	0.000	1	108.6387	15.009	12	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,5,6,6]	C[5,5,6]	N[6]	3:4:4:3:	4:3:3:2:	4:3:1:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5,6]-4:N[6]-3:	C[5,5,6,6]-4:C[5,6a]-3:N[6]-3:O[5]-2:	C[5,5,6,6]-4:C[6,6a]-3:H-1:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,6a]N[6]O[5])(N[6]C[6,6a]H)	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]N[6])(C[5,6a]C[5,6a,6a]C[5a,6a])(N[6]C[6,6a]H)(O[5]C[5,5])	N[6](C[5,5,6,6]C[5,6,6a]C[5,5,6]2)(C[6,6a]C[6,6a]C[6a])(H)	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,6a]N[6]O[5])(N[6]C[6,6a]H){1|H<1>,1|O<2>,8|C<3>}	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]N[6])(C[5,6a]C[5,6a,6a]C[5a,6a])(N[6]C[6,6a]H)(O[5]C[5,5]){1|O<2>,2|H<1>,8|C<3>}	N[6](C[5,5,6,6]C[5,6,6a]C[5,5,6]2)(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,6|C<3>}	109.6620	0.000	1	109.6620	0.000	1	109.6620	0.000	1	109.6620	0.000	1	109.6620	0.000	1	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,3x6]	N[6]	4:4:3:1:	4:4:4:4:	4:4:3:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[4,5,6]-4:C[5,3x6]-4:C[5,5,6]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:C-3:	C[5,5,6](C[5,5,3x6]C[4,5,6]C[5,3x6]C[6])(C[5,5,6]C[4,5,6,6]C[5,6]H)(N[6]C[6]C)(H)	C[5,5,3x6](C[4,5,6]C[4,5,6,6]C[4]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO)	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO)	C[5,5,6](C[5,5,3x6]C[4,5,6]C[5,3x6]C[6])(C[5,5,6]C[4,5,6,6]C[5,6]H)(N[6]C[6]C)(H){1|O<2>,5|C<4>,7|H<1>}	C[5,5,3x6](C[4,5,6]C[4,5,6,6]C[4]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO){1|C<3>,4|C<4>,8|H<1>}	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO){2|H<1>,6|C<4>}	114.2420	0.491	3	114.2420	0.241	3	114.2420	0.241	3	113.8863	0.409	9	113.8863	0.409	9	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,3x6]	N[6]	4:4:3:1:	4:4:4:4:	4:4:3:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,5,6]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:C-3:	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H)	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO)	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCO)	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO){2|C<3>,5|C<4>,7|H<1>}	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCO){1|H<1>,7|C<4>}	113.1950	0.000	1	113.8185	0.778	2	114.0047	0.493	3	113.8863	0.409	9	113.8863	0.409	9	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,3x6]	N[6]	4:4:3:1:	4:4:4:4:	4:4:3:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,5,6]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:C-3:	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H)	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO)	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCO)	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO){3|C<3>,4|C<4>,7|H<1>}	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCO){1|H<1>,7|C<4>}	114.4420	0.000	1	113.8185	0.778	2	114.0047	0.493	3	113.8863	0.409	9	113.8863	0.409	9	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,3x6]	N[6]	4:4:3:1:	4:4:4:4:	4:4:3:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,5,6]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:C-3:	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H)	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO)	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO)	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO){2|C<3>,5|C<4>,7|H<1>}	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO){1|H<1>,7|C<4>}	114.3770	0.000	1	114.3770	0.000	1	114.0047	0.493	3	113.8863	0.409	9	113.8863	0.409	9	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,3x6]	N[6]	4:4:3:1:	4:4:4:4:	4:4:3:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,3x6]-4:C[5,5,6]-4:C[5,6,6]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:C-3:	C[5,5,6](C[5,5,3x6]C[5,3x6]C[5,6,6]C[6])(C[5,5,6]C[5,6,6]C[5,6]H)(N[6]C[6]C)(H)	C[5,5,3x6](C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO)	C[5,5,6](C[5,5,3x6]C[5,3x6]C[5,6,6]C[6])(C[5,5,6]C[5,6,6]C[5,6]H)(N[6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5,5,3x6](C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6]HO){2|C<3>,3|C<4>,8|H<1>}	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO){1|C<3>,2|H<1>,5|C<4>}	114.0980	0.000	1	114.0980	0.000	1	114.0980	0.000	1	113.8863	0.409	9	113.8863	0.409	9	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,3x6]	N[6]	4:4:3:1:	4:4:4:4:	4:4:3:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,5,6]-4:C[5,3x6]-4:C[5,5,6]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:C-3:	C[5,5,6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,5,6]C[3,5,5,6]C[5,6]H)(N[6]C[6]C)(H)	C[5,5,3x6](C[5,5,6]C[3,5,5,6]C[5]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO)	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO)	C[5,5,6](C[5,5,3x6]C[5,3x6]C[5,5,6]C[6])(C[5,5,6]C[3,5,5,6]C[5,6]H)(N[6]C[6]C)(H){1|O<2>,5|C<4>,7|H<1>}	C[5,5,3x6](C[5,5,6]C[3,5,5,6]C[5]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO){1|C<3>,5|C<4>,8|H<1>}	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO){2|H<1>,6|C<4>}	113.0695	0.070	2	113.0695	0.005	2	113.0695	0.005	2	113.8863	0.409	9	113.8863	0.409	9	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,5,6]	C[5,5,6,6]	N[6]	4:3:3:2:	3:4:4:3:	4:3:1:	C[5,5,6,6]-4:C[5,6a]-3:N[6]-3:O[5]-2:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5,6]-4:N[6]-3:	C[5,5,6]-4:C[6,6a]-3:H-1:	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]N[6])(C[5,6a]C[5,6a,6a]C[5a,6a])(N[6]C[6,6a]H)(O[5]C[5,5])	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,6a]N[6]O[5])(N[6]C[6,6a]H)	N[6](C[5,5,6]C[5,5,6,6]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6a])(H)	C[5,5,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]N[6])(C[5,6a]C[5,6a,6a]C[5a,6a])(N[6]C[6,6a]H)(O[5]C[5,5]){1|O<2>,2|H<1>,8|C<3>}	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,6a]N[6]O[5])(N[6]C[6,6a]H){1|H<1>,1|O<2>,8|C<3>}	N[6](C[5,5,6]C[5,5,6,6]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	114.1830	0.000	1	114.1830	0.000	1	114.1830	0.000	1	114.1830	0.000	1	114.1830	0.000	1	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,5,6]	C[5,6]	N[6]	4:4:4:3:	4:4:1:1:	4:3:4:	C[3x5,6]-4:C[5,6]-4:C[5]-4:N[6]-3:	C[3x5,6,6]-4:C[5,5,6]-4:H-1:H-1:	C[5,5,6]-4:C[6]-3:C-4:	C[5,5,6](C[3x5,6]C[3x5,6]O[5,6]C[5])(C[5,6]C[3x5,6,6]HH)(C[5]O[5]HH)(N[6]C[6]C)	C[5,6](C[3x5,6,6]C[5,5,6,6]C[3x5,6]C[5])(C[5,5,6]C[3x5,6]C[5]N[6])(H)2	N[6](C[5,5,6]C[3x5,6]C[5,6]C[5])(C[6]C[5,5,6,6]O)(CCHH)	C[5,5,6](C[3x5,6]C[3x5,6]O[5,6]C[5])(C[5,6]C[3x5,6,6]HH)(C[5]O[5]HH)(N[6]C[6]C){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[5,6](C[3x5,6,6]C[5,5,6,6]C[3x5,6]C[5])(C[5,5,6]C[3x5,6]C[5]N[6])(H)2{1|C<3>,1|O<1>,2|H<1>,2|O<2>,7|C<4>}	N[6](C[5,5,6]C[3x5,6]C[5,6]C[5])(C[6]C[5,5,6,6]O)(CCHH){2|O<2>,4|H<1>,5|C<4>}	106.8750	0.000	1	106.8750	0.000	1	106.8750	0.000	1	106.8750	0.000	1	106.8750	0.000	1	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	N[6]	4:2:4:3:	4:4:4:1:	4:3:4:	C[5,6,6]-4:O[6]-2:C[5]-4:N[6]-3:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6]-3:C-4:	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(N[6]C[6]C)	C[5,6,6](C[5,6,6]C[5]N[6]O[6])(C[6,6]C[6,6a]C[6]H)(C[5]C[5]HH)(H)	N[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]C[6]O)(CC[6a]CH)	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(N[6]C[6]C){1|O<1>,3|C<3>,5|H<1>}	C[5,6,6](C[5,6,6]C[5]N[6]O[6])(C[6,6]C[6,6a]C[6]H)(C[5]C[5]HH)(H){1|C<4>,4|C<3>,4|H<1>}	N[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]C[6]O)(CC[6a]CH){2|C<3>,3|C<4>,3|H<1>}	111.8843	0.600	8	111.8843	0.360	8	111.9746	0.388	9	111.9746	0.388	9	112.6198	1.494	13	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	N[6]	4:2:4:3:	4:4:4:1:	4:3:4:	C[5,6,6]-4:O[6]-2:C[5]-4:N[6]-3:	C[5,6,6]-4:C[6,6]-4:C[5]-4:H-1:	C[5,6,6]-4:C[6]-3:C-4:	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(N[6]C[6]C)	C[5,6,6](C[5,6,6]C[5]N[6]O[6])(C[6,6]C[6,6a]C[6]H)(C[5]C[5]HH)(H)	N[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]C[6]O)(CC[6a]HH)	C[5,6,6](C[5,6,6]C[6,6]C[5]H)(O[6]C[6,6a])(C[5]C[5]HH)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5,6,6](C[5,6,6]C[5]N[6]O[6])(C[6,6]C[6,6a]C[6]H)(C[5]C[5]HH)(H){1|C<4>,1|P<4>,3|C<3>,5|H<1>}	N[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|P<4>,3|C<4>,4|H<1>}	112.6970	0.000	1	112.6970	0.000	1	111.9746	0.388	9	111.9746	0.388	9	112.6198	1.494	13	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	N[6]	4:4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6,6]-4:N[6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6,6a]-3:H-1:	C[5,6,6]-4:C[6]-3:H-1:	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[6,6a]H)(N[6]C[6]H)(H)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6,6a]O)(H)	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[6,6a]H)(N[6]C[6]H)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6,6a]C[6,6a]C[6a])(H){3|H<1>,5|C<3>}	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6,6a]O)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	114.9420	0.000	1	114.9420	0.000	1	114.9420	0.000	1	114.6485	0.172	2	112.6198	1.494	13	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	N[6]	4:4:3:1:	4:4:3:1:	4:3:1:	C[5,6,6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6,6a]-3:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[6]C[6]H)(H)	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[6,6a]C[6,6a]C[6a])(H)	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6,6a]O)(H)	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(N[6]C[6]H)(H){1|O<1>,3|C<3>,4|H<1>}	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[6,6a]C[6,6a]C[6a])(H){4|C<3>,6|H<1>}	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6,6a]O)(H){2|C<4>,2|H<1>,3|C<3>}	114.3550	0.000	1	114.3550	0.000	1	114.3550	0.000	1	114.6485	0.172	2	112.6198	1.494	13	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	N[6]	4:4:3:1:	4:4:4:1:	4:3:4:	C[5,5,6]-4:C[5,6,6]-4:N[6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:S-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)(N[6]C[6,6a]S)(H)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6]C[6,6a]CH)(H)	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO)	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)(N[6]C[6,6a]S)(H){1|C<4>,2|H<1>,4|C<3>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6]C[6,6a]CH)(H){1|H<1>,1|S<4>,4|C<3>}	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	112.7390	0.000	1	112.7390	0.000	1	113.4950	1.143	2	113.4950	1.143	2	112.6198	1.494	13	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	N[6]	4:4:3:1:	4:4:4:1:	4:3:4:	C[5,5,6]-4:C[5,6,6]-4:N[6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6a]-3:S-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)(N[6]C[6,6a]S)(H)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6]C[6,6a]HH)(H)	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO)	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)(N[6]C[6,6a]S)(H){3|H<1>,4|C<3>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]N[6]H)(C[6]C[6,6a]HH)(H){1|H<1>,1|S<4>,4|C<3>}	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	114.2510	0.000	1	114.2510	0.000	1	113.4950	1.143	2	113.4950	1.143	2	112.6198	1.494	13	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6,6]	C[5,6]	N[6,6]	3:4:3:2:	4:4:3:1:	4:3:3:	N[6,6]-3:C[5,6]-4:C[6]-3:O[5]-2:	C[5,6,6]-4:C[6]-4:C[5]-3:H-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[5,6](C[5,6,6]N[6,6]C[6]O[5])(C[6]C[6,6a]HO)(C[5]C[5]H)(H)	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[5,6](C[5,6,6]N[6,6]C[6]O[5])(C[6]C[6,6a]HO)(C[5]C[5]H)(H){1|H<1>,1|N<3>,1|O<1>,3|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>}	111.4970	0.000	1	111.4970	0.000	1	111.4970	0.000	1	111.4970	0.000	1	113.4428	13.207	8	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6,6]	C[5,6]	N[6,6]	3:4:3:4:	4:4:4:1:	4:4:3:	C[6,6a]-3:C[5,6]-4:N[6,6]-3:C[5]-4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(C[5]C[5]HH)	C[5,6](C[5,6,6]C[6,6a]N[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[6,6](C[5,6,6]C[6,6a]C[5,6]C[5])(C[6]C[6]CH)(C[6]C[6]O)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(C[5]C[5]HH){1|O<1>,2|C<3>,3|C<4>,8|H<1>}	C[5,6](C[5,6,6]C[6,6a]N[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,6|H<1>}	N[6,6](C[5,6,6]C[6,6a]C[5,6]C[5])(C[6]C[6]CH)(C[6]C[6]O){2|C<3>,3|C<4>,7|H<1>}	111.8550	0.000	1	111.8550	0.000	1	111.8550	0.000	1	111.8550	0.000	1	113.4428	13.207	8	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6,6]	C[5,6]	N[6,6]	4:3:3:2:	4:4:3:1:	4:3:3:	C[5,6]-4:N[6,6]-3:C[6]-3:O[5]-2:	C[5,6,6]-4:C[5,6]-4:C[5]-3:H-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[5,6](C[5,6,6]N[6,6]C[6]O[5])(C[5,6]C[5,6,6a]C[5]O)(C[5]C[5]H)(H)	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[5,6](C[5,6,6]N[6,6]C[6]O[5])(C[5,6]C[5,6,6a]C[5]O)(C[5]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|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>}	115.7080	0.000	1	115.7080	0.000	1	115.7080	0.000	1	115.7080	0.000	1	113.4428	13.207	8	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6,6]	C[5,6]	N[6,6]	4:3:3:3:	4:4:3:2:	4:3:3:	C[5,6]-4:N[6,6]-3:C[6]-3:N[5]-3:	C[5,6,6]-4:C[6]-4:C[6a]-3:O[5]-2:	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[5,6](C[5,6,6]N[6,6]C[6]N[5])(C[6]C[6,6a]HO)(C[6a]C[6a]2)(O[5]C[5])	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[5,6](C[5,6,6]N[6,6]C[6]N[5])(C[6]C[6,6a]HO)(C[6a]C[6a]2)(O[5]C[5]){1|N<3>,1|O<1>,1|S<1>,3|H<1>,5|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>}	111.3190	0.000	1	111.3190	0.000	1	111.3190	0.000	1	111.3190	0.000	1	113.4428	13.207	8	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6,6]	C[5,6]	N[6,6]	4:4:3:1:	4:3:4:1:	4:3:4:	C[5,6]-4:C[5,6]-4:N[6,6]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:H-1:	C[5,6,6]-4:C[6]-3:C[6]-4:	C[5,6,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(H)	C[5,6](C[5,6,6]C[5,6]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH)(H)	N[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[5,6,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(H){1|O<1>,4|C<3>,6|H<1>}	C[5,6](C[5,6,6]C[5,6]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH)(H){1|C<4>,4|C<3>,4|H<1>}	N[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	118.5785	0.194	2	118.5785	0.038	2	118.5785	0.038	2	118.5785	0.038	2	113.4428	13.207	8	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6,6]	C[5,6]	N[6,6]	4:4:3:1:	4:4:3:1:	4:3:4:	C[5,6]-4:C[5,6]-4:N[6,6]-3:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:C[6]-4:	C[5,6,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(H)	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)	N[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH)	C[5,6,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(H){1|O<1>,4|C<3>,6|H<1>}	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>}	N[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6,6a]O)(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	110.0030	0.219	2	110.0030	0.048	2	110.0030	0.048	2	110.0030	0.048	2	113.4428	13.207	8	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,5,6]	N[6]	4:3:3:1:	4:3:4:3:	4:3:4:	C[5,5,6]-4:C[5]-3:N[6]-3:H-1:	C[5,5]-4:N[5,6]-3:C[5,6]-4:C[6a]-3:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[5]N[5]O)(N[6]C[6]C)(H)	C[5,5,6](C[5,5]C[5,6a]N[5]O)(N[5,6]C[5,6a]C[6])(C[5,6]C[5]N[6]H)(C[6a]C[6a]2)	N[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(CC[6a]HH)	C[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[5]N[5]O)(N[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[5,5,6](C[5,5]C[5,6a]N[5]O)(N[5,6]C[5,6a]C[6])(C[5,6]C[5]N[6]H)(C[6a]C[6a]2){1|C<4>,2|O<1>,3|H<1>,5|C<3>}	N[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,2|N<3>,2|O<1>}	113.1940	0.164	2	113.1940	0.027	2	113.1940	0.027	2	113.1940	0.027	2	110.7337	6.264	9	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,5,6]	N[6]	4:3:3:4:	4:4:3:1:	4:4:3:	C[5,5,6]-4:C[5]-3:N[6]-3:C-4:	C[5,5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5]C[5]O)(N[6]C[6]C)(CH3)	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]N[6]C)(N[5]C[5,6a]H)(H)	N[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(COO)	C[5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5]C[5]O)(N[6]C[6]C)(CH3){2|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]N[6]C)(N[5]C[5,6a]H)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	N[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(COO){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	105.0990	0.000	1	105.0990	0.000	1	105.0990	0.000	1	105.0990	0.000	1	110.7337	6.264	9	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,5,6]	N[6]	4:3:4:1:	4:4:4:4:	4:3:2:	C[5,5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5,6]-4:C[6a]-3:C[6]-2:	C[5,6](C[5,5,6]C[5,6]C[5]2)(N[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[5,5,6](C[5,6]C[5]N[6]H)2(C[5]C[5]HH)2	N[6](C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6])	C[5,6](C[5,5,6]C[5,6]C[5]2)(N[6]C[6a]C[6])(C[5]C[5]HH)(H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	C[5,5,6](C[5,6]C[5]N[6]H)2(C[5]C[5]HH)2{1|C<2>,2|C<3>,8|H<1>}	N[6](C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6]){3|C<3>,4|C<4>,4|H<1>}	110.1775	0.108	2	110.1775	0.012	2	110.1775	0.012	2	110.1775	0.012	2	110.7337	6.264	9	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,5,6]	N[6]	4:3:4:1:	4:4:4:4:	4:3:3:	C[5,5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6](C[5,5,6]C[5,6]C[5]2)(N[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[5,5,6](C[5,6]C[5]N[6]H)2(C[5]C[5]HH)2	N[6](C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6]B)	C[5,6](C[5,5,6]C[5,6]C[5]2)(N[6]C[6a]C[6])(C[5]C[5]HH)(H){1|B<4>,1|N<3>,2|C<3>,2|C<4>,7|H<1>}	C[5,5,6](C[5,6]C[5]N[6]H)2(C[5]C[5]HH)2{3|C<3>,8|H<1>}	N[6](C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6]B){3|C<3>,4|C<4>,4|H<1>}	111.6515	0.141	2	111.6515	0.020	2	111.1903	1.589	4	111.1903	1.589	4	110.7337	6.264	9	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,5,6]	N[6]	4:3:4:1:	4:4:4:4:	4:3:3:	C[5,5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:C[5]-4:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6](C[5,5,6]C[5,6]C[5]2)(N[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[5,5,6](C[5,6]C[5]N[6]H)2(C[5]C[5]HH)2	N[6](C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6]Rh)	C[5,6](C[5,5,6]C[5,6]C[5]2)(N[6]C[6a]C[6])(C[5]C[5]HH)(H){1|Rh<6>,1|N<3>,2|C<3>,2|C<4>,7|H<1>}	C[5,5,6](C[5,6]C[5]N[6]H)2(C[5]C[5]HH)2{3|C<3>,8|H<1>}	N[6](C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6]Rh){3|C<3>,4|C<4>,4|H<1>}	110.7290	1.974	2	110.7290	3.898	2	111.1903	1.589	4	111.1903	1.589	4	110.7337	6.264	9	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6,6]	N[6]	4:3:2:1:	4:4:4:1:	4:3:1:	C[5,6,6]-4:N[6]-3:O[5]-2:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(N[6]C[6,6a]H)(O[5]C[5])(H)	C[5,6,6](C[5,6]C[6a]C[5]O[6])(C[6,6]C[6,6a]C[6]H)(C[5,6]N[6]O[5]H)(H)	N[6](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6,6a]C[6a])(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(N[6]C[6,6a]H)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6,6](C[5,6]C[6a]C[5]O[6])(C[6,6]C[6,6a]C[6]H)(C[5,6]N[6]O[5]H)(H){1|C<4>,4|C<3>,5|H<1>}	N[6](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6,6a]C[6a])(H){2|C<3>,2|H<1>,3|C<4>}	113.1740	0.000	1	113.1740	0.000	1	113.1740	0.000	1	113.1740	0.000	1	113.0040	2.377	6	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6,6]	N[6]	4:3:3:1:	3:4:4:3:	4:4:3:	C[5,6,6]-4:C[5]-3:N[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:C[6]-4:C-3:	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]N[5]O)(N[6]C[6]C)(H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(C[5,6]C[6]N[5]H)(C[6]C[6]H)	N[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6a]HH)(CHO)	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]N[5]O)(N[6]C[6]C)(H){2|C<4>,3|C<3>,4|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(C[5,6]C[6]N[5]H)(C[6]C[6]H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	N[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6a]HH)(CHO){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	114.0190	0.000	1	114.0190	0.000	1	114.0190	0.000	1	114.0190	0.000	1	113.0040	2.377	6	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6,6]	N[6]	4:3:3:1:	3:4:4:4:	4:3:1:	C[5,6,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:C[6,6a]-3:H-1:	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5,6]N[5]N[6]H)(C[6]C[6]HH)	N[6](C[5,6]C[5,6,6]N[5]H)(C[6,6a]C[6,6a]C[6a])(H)	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H){2|C<4>,3|H<1>,4|C<3>}	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5,6]N[5]N[6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,4|H<1>,6|C<3>}	N[6](C[5,6]C[5,6,6]N[5]H)(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,3|C<4>,4|C<3>}	111.6630	0.000	1	111.9990	0.226	2	111.9990	0.226	2	111.9990	0.226	2	113.0040	2.377	6	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6,6]	N[6]	4:3:3:1:	3:4:4:4:	4:3:1:	C[5,6,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:C[6,6a]-3:H-1:	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H)	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5,6]N[5]N[6]H)(C[6]C[6]HH)	N[6](C[5,6]C[5,6,6]N[5]H)(C[6,6a]C[6,6a]C[6a])(H)	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H){2|C<4>,3|H<1>,4|C<3>}	C[5,6,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5,6]N[5]N[6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,5|C<3>,5|H<1>}	N[6](C[5,6]C[5,6,6]N[5]H)(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,3|C<4>,4|C<3>}	112.3350	0.000	1	111.9990	0.226	2	111.9990	0.226	2	111.9990	0.226	2	113.0040	2.377	6	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6,6]	N[6]	4:3:3:1:	4:3:4:4:	4:3:4:	C[5,6,6]-4:C[5,6a]-3:N[6]-3:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:C[6]-4:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(H)	C[5,6,6](C[5,6]C[5,6a]N[6]H)(C[5,6]C[5,6a]C[6])(C[6]C[6]HH)2	N[6](C[5,6]C[5,6,6]C[5,6a]H)(C[6]C[6]O)(CC[6a]HH)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[5,6,6](C[5,6]C[5,6a]N[6]H)(C[5,6]C[5,6a]C[6])(C[6]C[6]HH)2{2|C<4>,3|C<3>,5|H<1>}	N[6](C[5,6]C[5,6,6]C[5,6a]H)(C[6]C[6]O)(CC[6a]HH){2|C<4>,2|H<1>,3|C<3>}	115.4460	0.000	1	115.4460	0.000	1	115.4460	0.000	1	115.4460	0.000	1	113.0040	2.377	6	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6,6]	N[6]	4:4:3:1:	4:4:4:3:	4:4:3:	C[5,6,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6]-4:C-3:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(N[6]C[6]C)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]N[6]H)(C[6]C[6]HH)(C[6]C[6]O)	N[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CC[6a]O)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(N[6]C[6]C)(H){1|O<1>,3|C<4>,7|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]N[6]H)(C[6]C[6]HH)(C[6]C[6]O){10|H<1>,1|C<3>,2|C<4>}	N[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CC[6a]O){1|C<3>,3|C<4>,4|H<1>}	111.3870	0.000	1	111.3870	0.000	1	111.3870	0.000	1	111.3870	0.000	1	113.0040	2.377	6	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6,6]	3:3:4:1:	4:4:2:1:	4:3:3:	C[5,6a]-3:N[6,6]-3:C[5,6]-4:H-1:	C[5,6]-4:C[5]-4:Se[6]-2:H-1:	C[5,6]-4:C[6,6,6a]-3:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6,6]C[6,6,6a]C[6])(C[5,6]Se[6]C[5]H)(H)	C[5,6](C[5,6]C[5,6a]N[6,6]H)(C[5]C[5,6a]HH)(Se[6]C[6,6a])(H)	N[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6,6]C[6,6,6a]C[6])(C[5,6]Se[6]C[5]H)(H){4|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]N[6,6]H)(C[5]C[5,6a]HH)(Se[6]C[6,6a])(H){5|C<3>}	N[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]H){1|Se<2>,1|C<4>,2|H<1>,5|C<3>}	118.7520	0.000	1	118.7520	0.000	1	118.7520	0.000	1	118.7520	0.000	1	115.6735	18.954	2	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6,6]	3:4:3:2:	4:4:4:1:	4:3:4:	N[6,6]-3:C[5,6]-4:C[5]-3:O-2:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[5,6](N[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(OH)	C[5,6](C[5,6]N[6,6]C[5]O)(C[6]C[6a]C[6]H)(C[5]N[5]HH)(H)	N[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[5,6](N[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(C[5]N[5]O)(OH){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]N[6,6]C[5]O)(C[6]C[6a]C[6]H)(C[5]N[5]HH)(H){1|O<1>,2|C<4>,4|C<3>}	N[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6]N[6])(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	112.5950	0.000	1	112.5950	0.000	1	112.5950	0.000	1	112.5950	0.000	1	115.6735	18.954	2	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	3:4:3:1:	3:4:4:3:	4:3:4:	C[5,5a]-3:C[5,6]-4:N[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,5a]C[5,5a]S[5a])(C[5,6]C[6,6a]C[5]C)(N[6]C[6]C)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5a]N[6]H)(C[5]C[5,5a]HH)(COO)	N[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6,6a]O)(CC[6a]HH)	C[5,6](C[5,5a]C[5,5a]S[5a])(C[5,6]C[6,6a]C[5]C)(N[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5a]N[6]H)(C[5]C[5,5a]HH)(COO){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	N[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6,6a]O)(CC[6a]HH){1|C<4>,1|S<2>,4|C<3>}	114.3480	0.000	1	114.3480	0.000	1	114.3480	0.000	1	114.3480	0.000	1	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	3:4:3:1:	4:4:4:1:	4:3:4:	C[5,6a]-3:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-3:S-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6]C[6]S)(H)	C[5,6](C[5,6]C[5,6a]N[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H)	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]C)(SC[6a]OO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6]C[6]S)(H){4|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]N[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]HH)(H){1|H<1>,1|S<4>,5|C<3>}	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]C)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	115.3730	0.000	1	115.3730	0.000	1	115.3730	0.000	1	115.3730	0.000	1	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	3:4:3:2:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[5,6]-4:N[6]-3:O-2:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6,6a]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(OH)	C[5,6](C[5,6]C[5,6a]N[6]O)(C[6]C[6,6a]C[6a]H)(C[5]C[5,6a]O)(H)	N[6](C[5,6]C[5,6a]C[5,6]O)(C[6,6a]C[6,6a]N[6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(OH){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]N[6]O)(C[6]C[6,6a]C[6a]H)(C[5]C[5,6a]O)(H){1|H<1>,6|C<3>}	N[6](C[5,6]C[5,6a]C[5,6]O)(C[6,6a]C[6,6a]N[6a])(H){1|C<4>,1|H<1>,5|C<3>}	110.9860	0.000	1	110.9860	0.000	1	110.9860	0.000	1	110.9860	0.000	1	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	3:4:3:3:	3:4:2:4:	4:3:4:	C[5,6a]-3:C[5,6]-4:N[6]-3:C-3:	C[6,6a]-3:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]C)(N[6]C[6]C)(CNO)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6]C)(O[5]C[5,6a])(CH3)	N[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6a]O)(CC[6a]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5]C)(N[6]C[6]C)(CNO){1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6]C)(O[5]C[5,6a])(CH3){1|C<4>,1|H<1>,5|C<3>}	N[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6a]O)(CC[6a]HH){1|C<4>,1|O<2>,4|C<3>}	112.5730	0.000	1	112.5730	0.000	1	112.5730	0.000	1	112.5730	0.000	1	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:3:2:1:	3:4:4:1:	3:4:3:	C[5,6]-4:N[6]-3:O[5]-2:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:N-3:	C[5,6](C[5,6]C[5,6a]C[6]H)(N[6]C[6,6a]N)(O[5]C[5,6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]O[5]H)(C[6]C[6,6a]CH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(NCC)	C[5,6](C[5,6]C[5,6a]C[6]H)(N[6]C[6,6a]N)(O[5]C[5,6a])(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]O[5]H)(C[6]C[6,6a]CH)(H){1|H<1>,1|N<3>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(NCC){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	114.7960	0.000	1	114.7960	0.000	1	114.7960	0.000	1	114.7960	0.000	1	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:3:2:1:	4:4:4:1:	3:4:4:	C[5,6]-4:N[6]-3:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[5,6]-4:S-4:	C[5,6](C[5,6]C[5,6]C[6]H)(N[6]C[6,6a]S)(O[5]C[5,6])(H)	C[5,6](C[5,6]C[5,6]N[6]H)(C[5,6]N[6]O[5]H)(C[6]C[6,6a]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(SC[6a]OO)	C[5,6](C[5,6]C[5,6]C[6]H)(N[6]C[6,6a]S)(O[5]C[5,6])(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]N[6]H)(C[5,6]N[6]O[5]H)(C[6]C[6,6a]HH)(H){1|C<4>,1|H<1>,2|S<4>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(SC[6a]OO){2|C<3>,2|H<1>,3|C<4>}	112.8760	0.000	1	112.8760	0.000	1	112.8760	0.000	1	112.8760	0.000	1	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:3:2:3:	4:3:4:1:	4:3:1:	C[5,6]-4:C[6a]-3:O[5]-2:N[6]-3:	C[5,6]-4:C[5,6a]-3:C[6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6a]C[6a]2)(O[5]C[5,6a])(N[6]C[6]H)	C[5,6](C[5,6]C[6a]N[6]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H)	N[6](C[5,6]C[5,6]C[6a]O[5])(C[6]C[6]O)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6a]C[6a]2)(O[5]C[5,6a])(N[6]C[6]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5,6](C[5,6]C[6a]N[6]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)(H){4|H<1>,5|C<3>}	N[6](C[5,6]C[5,6]C[6a]O[5])(C[6]C[6]O)(H){1|C<4>,3|H<1>,4|C<3>}	113.2180	0.000	1	113.2180	0.000	1	113.2180	0.000	1	113.2180	0.000	1	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:3:3:1:	3:4:3:1:	4:2:1:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	N[5,6]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:N[6]-2:H-1:	C[5,6](C[5,6]N[5,6]N[5]H)(N[5]C[5]C)(N[6]N[6]H)(H)	C[5,6](N[5,6]C[5,6]C[5])(C[5,6]N[5]N[6]H)(N[5]C[5]C)(H)	N[6](C[5,6]C[5,6]N[5]H)(N[6]C[5,6])(H)	C[5,6](C[5,6]N[5,6]N[5]H)(N[5]C[5]C)(N[6]N[6]H)(H){1|C<4>,1|O<1>,2|C<3>}	C[5,6](N[5,6]C[5,6]C[5])(C[5,6]N[5]N[6]H)(N[5]C[5]C)(H){1|H<1>,1|N<2>,1|S<2>,2|C<4>,2|O<1>}	N[6](C[5,6]C[5,6]N[5]H)(N[6]C[5,6])(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>,2|N<3>}	110.9390	0.000	1	110.9390	0.000	1	110.9390	0.000	1	110.9390	0.000	1	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:3:3:1:	3:4:4:3:	4:3:4:	C[5,6]-4:C[5,6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-4:C[6a]-3:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6a]C[6a]2)	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]O)(CC[6a]HH)	C[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(H){1|O<1>,3|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]O)(CC[6a]HH){1|C<4>,5|C<3>}	114.3960	0.000	1	114.3960	0.000	1	114.3960	0.000	1	114.3960	0.000	1	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:3:3:1:	3:4:4:4:	3:4:1:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(C[6]C[6,6a]CH)(CCHH)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H){1|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(C[6]C[6,6a]CH)(CCHH){1|H<1>,2|C<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H){1|H<1>,3|C<4>,4|C<3>}	114.4710	0.000	1	114.4710	0.000	1	114.4710	0.000	1	114.4710	0.000	1	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:3:3:1:	3:4:4:4:	3:4:4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[5,6]-4:S-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]S)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(C[6]C[6,6a]CH)(CCHH)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(SC[6a]OO)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]S)(H){1|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(C[6]C[6,6a]CH)(CCHH){1|Br<1>,1|S<4>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(SC[6a]OO){1|H<1>,2|C<4>,5|C<3>}	111.5040	0.000	1	111.5040	0.000	1	111.7935	0.168	2	111.7935	0.168	2	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:3:3:1:	3:4:4:4:	3:4:4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[5,6]-4:S-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]H)(N[6]C[6,6a]S)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(C[6]C[6,6a]CH)(CCHH)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(SC[6a]OO)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]H)(N[6]C[6,6a]S)(H){1|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(C[6]C[6,6a]CH)(CCHH){1|Br<1>,1|H<1>,1|S<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(SC[6a]OO){2|C<4>,2|H<1>,4|C<3>}	112.0830	0.000	1	112.0830	0.000	1	111.7935	0.168	2	111.7935	0.168	2	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:3:3:1:	4:3:3:1:	4:4:3:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6]-4:C[6]-4:N-3:	C[5,6](C[5,6]N[5]N[6]H)(N[5]C[5]N)(N[6]C[6]N)(H)	C[5,6](C[5,6]N[5]N[6]H)(N[5]C[5]H)(N[6]C[6]N)(H)	N[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(NOO)	C[5,6](C[5,6]N[5]N[6]H)(N[5]C[5]N)(N[6]C[6]N)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5,6]N[5]N[6]H)(N[5]C[5]H)(N[6]C[6]N)(H){1|C<4>,1|O<1>,2|H<1>,2|N<3>}	N[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(NOO){1|C<3>,3|H<1>,3|N<3>}	111.5950	0.000	1	111.5950	0.000	1	111.5950	0.000	1	109.3013	1.087	44	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:3:3:1:	4:3:3:1:	4:4:3:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C-3:	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]N)(H)	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]N)(H)	N[6](C[5,6]C[5,6]N[5]H)2(CHO)	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]N)(H){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]N)(H){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	N[6](C[5,6]C[5,6]N[5]H)2(CHO){2|C<4>,2|H<1>,5|N<3>}	109.9655	0.215	4	109.9655	0.046	4	110.3552	0.166	16	109.3013	1.087	44	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:3:3:1:	4:3:3:1:	4:4:3:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C-3:	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]N)(H)	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]N)(H)	N[6](C[5,6]C[5,6]N[5]H)2(CNO)	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]N)(H){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]N)(H){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	N[6](C[5,6]C[5,6]N[5]H)2(CNO){2|C<4>,2|H<1>,5|N<3>}	110.3782	0.346	8	110.3782	0.120	8	110.3552	0.166	16	109.3013	1.087	44	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:3:3:1:	4:3:3:1:	4:4:3:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C-3:	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]N)(H)	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]N)(N[5]C[5]N)(H)	N[6](C[5,6]C[5,6]N[5]H)2(CHO)	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]N)(H){2|C<4>,2|H<1>,3|N<3>}	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]N)(N[5]C[5]N)(H){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	N[6](C[5,6]C[5,6]N[5]H)2(CHO){2|C<4>,2|H<1>,5|N<3>}	110.6990	0.380	4	110.6990	0.144	4	110.3552	0.166	16	109.3013	1.087	44	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:3:3:1:	4:3:3:1:	4:4:3:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:N-3:	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]N)(N[5]C[5]N)(H)	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]N)(H)	N[6](C[5,6]C[5,6]N[5]H)2(NOO)	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]N)(N[5]C[5]N)(H){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]N)(H){2|C<4>,2|H<1>,3|N<3>}	N[6](C[5,6]C[5,6]N[5]H)2(NOO){2|C<4>,2|H<1>,5|N<3>}	108.0030	0.062	2	108.0030	0.004	2	108.5919	0.293	27	109.3013	1.087	44	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:3:3:1:	4:3:3:1:	4:4:3:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:N-3:	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]N)(N[5]C[5]N)(H)	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]N)(N[5]C[5]N)(H)	N[6](C[5,6]C[5,6]N[5]H)2(NOO)	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]N)(N[5]C[5]N)(H){2|C<4>,2|H<1>,3|N<3>}	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]N)(N[5]C[5]N)(H){2|C<4>,2|H<1>,3|N<3>}	N[6](C[5,6]C[5,6]N[5]H)2(NOO){2|C<4>,2|H<1>,5|N<3>}	108.6390	0.535	25	108.6390	0.286	25	108.5919	0.293	27	109.3013	1.087	44	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:3:3:1:	4:3:3:1:	4:4:4:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C-4:	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]C)(H)	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]C)(H)	N[6](C[5,6]C[5,6]N[5]H)2(CC[6a]HH)	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]C)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]C)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	N[6](C[5,6]C[5,6]N[5]H)2(CC[6a]HH){1|C<3>,2|H<1>,3|C<4>,3|N<3>}	114.3140	0.000	1	114.0185	0.175	2	114.0185	0.175	2	114.0185	0.175	2	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:3:3:1:	4:3:3:1:	4:4:4:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C-4:	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]C)(H)	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]C)(H)	N[6](C[5,6]C[5,6]N[5]H)2(CC[6a]HH)	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]C)(H){1|N<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]C)(H){1|N<3>,3|C<4>,3|H<1>}	N[6](C[5,6]C[5,6]N[5]H)2(CC[6a]HH){1|C<3>,2|H<1>,3|C<4>,3|N<3>}	113.7230	0.000	1	114.0185	0.175	2	114.0185	0.175	2	114.0185	0.175	2	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:3:3:1:	4:4:1:1:	3:4:3:	C[5,6]-4:N[6]-3:S[5]-3:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C-3:	C[5,6](C[5,6]C[5,6,6]HH)(N[6]C[6,6a]C)(S[5]C[5,6]O)(H)	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5,6]N[6]S[5]H)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5]H)(COO)	C[5,6](C[5,6]C[5,6,6]HH)(N[6]C[6,6a]C)(S[5]C[5,6]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5,6]N[6]S[5]H)(H)2{1|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5]H)(COO){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	112.9630	0.000	1	112.9630	0.000	1	112.9630	0.000	1	112.9630	0.000	1	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:3:3:1:	4:4:1:1:	3:4:4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C-4:	C[5,6](C[5,6]C[5,6]HH)(N[5]C[6a]C[5])(N[6]C[6,6a]C)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]N[5]N[6]H)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(CC[6a]HH)	C[5,6](C[5,6]C[5,6]HH)(N[5]C[6a]C[5])(N[6]C[6,6a]C)(H){1|H<1>,6|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]N[5]N[6]H)(H)2{1|C<4>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(CC[6a]HH){2|C<4>,3|C<3>,3|H<1>}	110.4300	0.000	1	110.4300	0.000	1	110.4300	0.000	1	110.4300	0.000	1	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:3:3:1:	4:4:3:1:	4:3:4:	C[5,6]-4:C[5]-3:N[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:S-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]S)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]C)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(SC[6a]OO)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]S)(H){3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]C)(H){1|S<4>,3|C<3>,3|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	115.1481	1.717	7	115.1481	2.948	7	115.1481	2.948	7	115.1481	2.948	7	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:3:3:1:	4:4:4:1:	4:3:1:	C[5,6]-4:C[5]-3:N[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(N[6]C[6]O)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6a]2C[6])(C[5]O[5]CC)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]O)(N[6]C[6]O)(H){2|C<4>,4|C<3>}	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6a]2C[6])(C[5]O[5]CC)(H){3|O<1>,5|C<3>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(O){1|H<1>,1|O<2>,2|C<4>,2|O<1>}	114.6640	0.000	1	114.6640	0.000	1	114.6640	0.000	1	114.6640	0.000	1	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:3:3:1:	4:4:4:1:	4:3:3:	C[5,6]-4:C[5]-3:N[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-3:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]C)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[5]C[5]HH)(C[6]N[6]HH)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]N)(COO)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]C)(H){1|N<2>,1|N<3>,5|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[5]C[5]HH)(C[6]N[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]N)(COO){1|C<3>,2|H<1>,3|C<4>}	111.2090	0.000	1	111.2090	0.000	1	111.2090	0.000	1	111.2090	0.000	1	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:3:3:1:	4:4:4:1:	4:3:4:	C[5,6]-4:C[5]-3:N[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]C)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[5]C[5]HH)(C[6]N[6]HH)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]N)(CC[6a]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]C)(H){1|N<2>,1|N<3>,5|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[5]C[5]HH)(C[6]N[6]HH)(H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]N)(CC[6a]HH){1|C<3>,2|H<1>,3|C<4>}	113.3280	0.000	1	113.3280	0.000	1	113.3280	0.000	1	113.3280	0.000	1	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:3:3:2:	4:4:4:1:	4:2:1:	C[5,6]-4:C[6a]-3:N[6]-3:O[5]-2:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:N[6]-2:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]N[6a])(N[6]N[6]H)(O[5]C[5])	C[5,6](C[5,6]C[6a]N[6]O[5])(C[5]C[5]CH)(C[6]C[6]CH)(H)	N[6](C[5,6]C[5,6]C[6a]O[5])(N[6]C[6])(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]N[6a])(N[6]N[6]H)(O[5]C[5]){1|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[6a]N[6]O[5])(C[5]C[5]CH)(C[6]C[6]CH)(H){2|C<3>,2|N<2>,3|H<1>}	N[6](C[5,6]C[5,6]C[6a]O[5])(N[6]C[6])(H){1|H<1>,1|N<2>,2|C<3>,3|C<4>}	111.0175	0.129	2	111.0175	0.017	2	111.0175	0.017	2	111.0175	0.017	2	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:3:3:3:	4:3:3:3:	4:3:1:	C[5,6]-4:C[5,6a]-3:C[5]-3:N[6]-3:	C[5,6]-4:C[5,6a]-3:N[5,6]-3:C[5]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(N[5,6]N[5,6]C[5])(C[5]N[5]O)	N[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]N[5,6]S)(H)	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[6]C[6]H){1|H<1>,1|O<1>,1|S<1>,2|C<4>,2|N<3>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(N[5,6]N[5,6]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,3|C<4>,3|H<1>,6|C<3>}	N[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]N[5,6]S)(H){1|C<4>,1|O<1>,2|N<3>,4|C<3>}	109.8130	0.000	1	109.8130	0.000	1	109.8130	0.000	1	109.8130	0.000	1	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:3:3:4:	3:4:4:1:	4:4:3:	C[5,6]-4:C[5,6a]-3:N[6]-3:C-4:	C[6,6a]-3:C[5,6]-4:C[5]-4:Br-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6](C[5,6]C[6,6a]C[5]Br)(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(CH3)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6]C)(C[5]C[5,6a]HO)(Br)	N[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6a]CH)(COO)	C[5,6](C[5,6]C[6,6a]C[5]Br)(C[5,6a]C[5,6a]C[6a])(N[6]C[6]C)(CH3){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6]C)(C[5]C[5,6a]HO)(Br){1|C<4>,1|H<1>,5|C<3>}	N[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6a]CH)(COO){1|Br<1>,1|C<4>,4|C<3>}	108.3950	0.000	1	108.3950	0.000	1	108.3950	0.000	1	108.3950	0.000	1	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:3:3:4:	4:4:1:1:	3:4:1:	C[5,6]-4:N[6]-3:C[5]-3:C-4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]HH)(N[6]C[6,6a]H)(C[5]N[5]O)(CH3)	C[5,6](C[5,6]C[6,6a]N[5]C)(C[5,6]C[5]N[6]C)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)	C[5,6](C[5,6]C[5,6]HH)(N[6]C[6,6a]H)(C[5]N[5]O)(CH3){4|C<3>}	C[5,6](C[5,6]C[6,6a]N[5]C)(C[5,6]C[5]N[6]C)(H)2{1|H<1>,1|O<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	107.2620	0.000	1	107.2620	0.000	1	107.2620	0.000	1	107.2620	0.000	1	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:3:4:1:	4:2:4:1:	3:4:4:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:S[6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:S-4:	C[5,6](C[5,6]C[5]S[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]N[6]H)(S[6]C[6,6a])(C[5]C[5]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)	C[5,6](C[5,6]C[5]S[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H){2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(S[6]C[6,6a])(C[5]C[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO){1|S<2>,2|C<3>,2|C<4>,4|H<1>}	113.7800	0.000	1	113.7800	0.000	1	113.7800	0.000	1	113.7800	0.000	1	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:3:4:1:	4:4:1:1:	3:4:1:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]HH)(N[6]C[6,6a]H)(C[5]O[5]CH)(H)	C[5,6](C[5,6]N[6,6a]O[5]H)(C[5,6]C[5]N[6]H)(H)2	N[6](C[6,6a]N[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[5,6](C[5,6]C[5,6]HH)(N[6]C[6,6a]H)(C[5]O[5]CH)(H){1|C<3>,1|H<1>,1|N<3>}	C[5,6](C[5,6]N[6,6a]O[5]H)(C[5,6]C[5]N[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]N[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	107.6490	0.000	1	107.6490	0.000	1	107.6490	0.000	1	107.6490	0.000	1	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:3:4:1:	4:4:1:1:	4:3:2:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6a]-3:N[6]-2:	C[5,6](C[5,6]C[5,6,6]HH)(N[6]C[6a]N[6])(C[5]C[5]CH)(H)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]N[6]H)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(N[6]C[6,6])	C[5,6](C[5,6]C[5,6,6]HH)(N[6]C[6a]N[6])(C[5]C[5]CH)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]N[6]H)(H)2{1|C<4>,1|N<2>,3|C<3>,5|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(N[6]C[6,6]){2|C<4>,4|C<3>,5|H<1>}	108.1810	0.000	1	108.1810	0.000	1	108.1810	0.000	1	108.1810	0.000	1	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:3:4:1:	4:4:4:1:	3:4:1:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CC)(C[5]N[5]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CC)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	109.8190	0.000	1	109.8190	0.000	1	109.8190	0.000	1	109.2469	1.203	7	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:3:4:1:	4:4:4:1:	3:4:1:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]C[5]CH)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6]H)(C[5]C[5]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]C[5]CH)(H){3|C<3>,5|H<1>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6]H)(C[5]C[5]HH)(H){1|C<4>,4|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){2|C<3>,3|H<1>,4|C<4>}	110.1350	1.359	2	110.1350	1.847	2	109.1515	1.368	6	109.2469	1.203	7	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:3:4:1:	4:4:4:1:	3:4:1:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6]H)(C[5]N[5]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H){1|S<4>,3|C<3>,3|H<1>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6]H)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	108.6598	0.834	4	108.6598	0.696	4	109.1515	1.368	6	109.2469	1.203	7	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:3:4:1:	4:4:4:1:	3:4:4:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:S-4:	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(C[5]C[5]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H){1|C<2>,2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(C[5]C[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO){2|C<3>,3|C<4>,4|H<1>}	111.5640	0.000	1	111.5640	0.000	1	111.5640	0.000	1	111.5640	0.000	1	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:3:4:1:	4:4:4:4:	4:3:3:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6](C[5,6]C[5,6]CC)(N[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]N[6]C)(C[5,6]C[5]N[6]H)(CH3)2	N[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6]Pd)	C[5,6](C[5,6]C[5,6]CC)(N[6]C[6a]C[6])(C[5]C[5]HH)(H){1|Pd<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]N[6]C)(C[5,6]C[5]N[6]H)(CH3)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6]Pd){2|C<3>,2|H<1>,7|C<4>}	109.8090	0.651	3	109.8090	0.424	3	109.8090	0.424	3	109.8090	0.424	3	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:3:4:1:	4:4:4:4:	4:4:3:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:P[6,6]-4:C[6]-3:	C[5,6](C[5,6]C[5,6]CC)(N[6]P[6,6]C[6])(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]N[6]C)(C[5,6]C[5]N[6]H)(CH3)2	N[6](C[5,6]C[5,6]C[5]H)(P[6,6]C[3x6]2Rh)(C[6]N[6]H)	C[5,6](C[5,6]C[5,6]CC)(N[6]P[6,6]C[6])(C[5]C[5]HH)(H){1|Rh<4>,1|N<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]N[6]C)(C[5,6]C[5]N[6]H)(CH3)2{1|C<3>,1|P<4>,5|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(P[6,6]C[3x6]2Rh)(C[6]N[6]H){2|O<2>,3|H<1>,8|C<4>}	109.4250	0.215	2	109.4250	0.046	2	109.4250	0.046	2	109.4250	0.046	2	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:3:4:3:	4:2:4:3:	3:4:1:	C[5,6]-4:N[6]-3:C[5]-4:C-3:	C[5,6]-4:O[6]-2:C[5]-4:N-3:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]O[6]N)(N[6]C[6,6a]H)(C[5]C[5]HH)(COO)	C[5,6](C[5,6]C[5]N[6]C)(O[6]C[6,6a])(C[5]C[5]HH)(NC[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)	C[5,6](C[5,6]C[5]O[6]N)(N[6]C[6,6a]H)(C[5]C[5]HH)(COO){2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]N[6]C)(O[6]C[6,6a])(C[5]C[5]HH)(NC[6a]H){2|C<3>,5|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	110.6230	0.000	1	110.6230	0.000	1	110.6230	0.000	1	110.6230	0.000	1	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:4:3:1:	3:3:4:1:	4:3:1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]HH)(N[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O)(H)	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]HH)(N[6]C[6]H)(H){1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(H){5|C<3>,5|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O)(H){3|H<1>,4|C<3>}	110.6690	0.000	1	110.6690	0.000	1	110.6690	0.000	1	110.6690	0.000	1	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:4:3:1:	3:4:2:1:	4:3:1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(N[6]C[6]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(O[5]C[5])(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O)(H)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]HH)(N[6]C[6]H)(H){1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(O[5]C[5])(H){3|C<3>,6|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]O)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	110.5880	0.000	1	110.5880	0.000	1	110.5880	0.000	1	110.5880	0.000	1	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:4:3:1:	3:4:4:1:	4:3:1:	C[5,6]-4:C[5,5]-4:N[6]-3:H-1:	N[5a,6]-3:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]N[5a,6]C[5]H)(C[5,5]C[5,5]N[5]H)(N[6]C[6]H)(H)	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,5]N[6]H)(C[5]C[5,5]HH)(H)	N[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[5a,6]O)(H)	C[5,6](C[5,6]N[5a,6]C[5]H)(C[5,5]C[5,5]N[5]H)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](N[5a,6]C[5a,6]C[5a])(C[5,6]C[5,5]N[6]H)(C[5]C[5,5]HH)(H){1|Br<1>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	N[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[5a,6]O)(H){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	110.3657	0.255	4	110.3657	0.065	4	110.3657	0.065	4	110.3657	0.065	4	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:4:3:1:	4:4:2:1:	3:4:4:	C[5,6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:S-4:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(N[6]C[6,6a]S)(H)	C[5,6](C[5,6]C[5,6]N[6]H)(C[6]C[6,6a]HH)(O[5]C[5,6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(SC[6a]OO)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5]H)(N[6]C[6,6a]S)(H){1|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]N[6]H)(C[6]C[6,6a]HH)(O[5]C[5,6])(H){1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(SC[6a]OO){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	114.5760	0.000	1	114.5760	0.000	1	114.5760	0.000	1	114.5760	0.000	1	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:4:3:1:	4:4:2:1:	4:2:3:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:N[6]-2:C-3:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(N[6]N[6]C)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	N[6](C[5,6]C[5,6]C[5]H)(N[6]C[6])(CC[6a]O)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(N[6]N[6]C)(H){1|C<3>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(N[6]C[6])(CC[6a]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	110.7440	0.000	1	110.7440	0.000	1	110.7440	0.000	1	110.7440	0.000	1	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:4:3:1:	4:4:2:1:	4:3:4:	C[5,5]-4:C[5,6]-4:N[6]-3:H-1:	C[3,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[3,6]O[5]H)(N[6]C[6]C)(H)	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,5]N[6]H)(O[5]C[5,5])(H)	N[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[3,6]O)(CC[6a]HH)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[3,6]O[5]H)(N[6]C[6]C)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,5]N[6]H)(O[5]C[5,5])(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	N[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[3,6]O)(CC[6a]HH){2|C<4>,3|H<1>,3|O<2>}	111.8860	0.000	1	111.8860	0.000	1	111.8860	0.000	1	111.8860	0.000	1	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:4:3:1:	4:4:2:1:	4:4:3:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(N[6]C[6]C)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]O)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]HH)(N[6]C[6]C)(H){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5,5])(H){1|C<3>,3|C<4>,4|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]O){1|O<2>,2|C<4>,5|H<1>}	114.3115	0.185	2	114.3115	0.034	2	112.8500	6.425	3	112.8500	6.425	3	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:4:3:1:	4:4:2:1:	4:4:3:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,6]CH)(N[6]C[6]C)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5,6])(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]O)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,6]CH)(N[6]C[6]C)(H){3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5,6])(H){1|H<1>,2|C<4>,4|C<3>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	109.9270	0.000	1	109.9270	0.000	1	112.8500	6.425	3	112.8500	6.425	3	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:4:3:1:	4:4:2:4:	4:3:1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(N[6]C[6]H)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5])(CH3)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(N[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	112.4150	0.000	1	112.4150	0.000	1	112.4150	0.000	1	112.4150	0.000	1	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:4:3:1:	4:4:3:1:	4:3:1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(N[6]C[6]H)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]O[6]HH)(N[5]C[5]S)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(N[6]C[6]H)(H){1|O<1>,1|O<2>,1|S<4>,4|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[6]O[6]HH)(N[5]C[5]S)(H){1|C<3>,1|O<2>,4|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	111.1505	1.986	2	111.1505	3.945	2	111.1505	3.945	2	111.1505	3.945	2	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:4:3:1:	4:4:4:1:	4:3:3:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-3:C-3:	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(N[6]C[6]C)(H)	C[5,6](C[5,6]C[5,6a]C[5]N[6])(C[5,6]C[5]N[6]H)(C[5]C[5]HH)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]S)(CC[6a]O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(N[6]C[6]C)(H){1|N<2>,1|S<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6a]C[5]N[6])(C[5,6]C[5]N[6]H)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]S)(CC[6a]O){3|C<4>,3|H<1>}	108.1790	0.000	1	108.1790	0.000	1	108.1790	0.000	1	108.1790	0.000	1	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:4:3:1:	4:4:4:4:	4:3:4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H)	C[5,6](C[5,6]C[5]N[6]C)(C[5,6]C[5]N[6]H)(CH3)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]B[6,6]N[6])(CCHH)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H){1|B<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[5,6]C[5]N[6]C)(C[5,6]C[5]N[6]H)(CH3)2{1|C<3>,2|C<4>,4|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]B[6,6]N[6])(CCHH){2|H<1>,7|C<4>}	107.5700	0.215	2	107.9143	0.379	3	107.7127	0.412	10	107.7127	0.412	10	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:4:3:1:	4:4:4:4:	4:3:4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H)	C[5,6](C[5,6]C[5]N[6]C)(C[5,6]C[5]N[6]H)(CH3)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]B[6,6]N[6])(CCHH)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H){1|B<4>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[5,6]C[5]N[6]C)(C[5,6]C[5]N[6]H)(CH3)2{1|C<3>,2|C<4>,4|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]B[6,6]N[6])(CCHH){3|H<1>,7|C<4>}	108.6030	0.000	1	107.9143	0.379	3	107.7127	0.412	10	107.7127	0.412	10	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:4:3:1:	4:4:4:4:	4:3:4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H)	C[5,6](C[5,6]C[5]N[6]C)(C[5,6]C[5]N[6]H)(CH3)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]B)(CH3)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H){1|B<4>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[5,6]C[5]N[6]C)(C[5,6]C[5]N[6]H)(CH3)2{1|C<3>,2|C<4>,4|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]B)(CH3){2|H<1>,5|C<4>}	107.8060	0.000	1	107.8060	0.000	1	107.7127	0.412	10	107.7127	0.412	10	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:4:3:1:	4:4:4:4:	4:3:4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H)	C[5,6](C[5,6]C[5]N[6]C)(C[5,6]C[5]N[6]H)(CH3)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]H)(CC[6a]CH)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H){1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6]C[5]N[6]C)(C[5,6]C[5]N[6]H)(CH3)2{1|C<3>,2|C<4>,4|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]H)(CC[6a]CH){2|H<1>,5|C<4>}	107.2455	0.356	2	107.2455	0.127	2	107.7127	0.412	10	107.7127	0.412	10	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:4:3:1:	4:4:4:4:	4:3:4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H)	C[5,6](C[5,6]C[5]N[6]C)(C[5,6]C[5]N[6]H)(CH3)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]H)(CC[6a]HH)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H){1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6]C[5]N[6]C)(C[5,6]C[5]N[6]H)(CH3)2{1|C<3>,2|C<4>,4|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]H)(CC[6a]HH){2|H<1>,5|C<4>}	107.9117	1.001	3	107.9117	1.002	3	107.7127	0.412	10	107.7127	0.412	10	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:4:3:1:	4:4:4:4:	4:3:4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H)	C[5,6](C[5,6]C[5]N[6]C)(C[5,6]C[5]N[6]H)(CH3)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]Ni)(CC[6]CH)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(H){1|Ni<4>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[5,6]C[5]N[6]C)(C[5,6]C[5]N[6]H)(CH3)2{1|C<3>,2|C<4>,4|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]Ni)(CC[6]CH){2|H<1>,5|C<4>}	107.3520	0.000	1	107.3520	0.000	1	107.7127	0.412	10	107.7127	0.412	10	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:4:3:3:	3:4:4:1:	3:4:1:	C[5,6]-4:C[5]-4:C[5]-3:N[6]-3:	C[5,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(N[6]C[6,6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]2)(C[5,6]C[5]2N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H)	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(N[6]C[6,6a]H){8|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]2)(C[5,6]C[5]2N[6])(H){2|O<1>,4|H<1>,8|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	107.2130	0.000	1	107.2130	0.000	1	107.2130	0.000	1	107.2130	0.000	1	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:4:3:4:	4:4:4:4:	4:3:1:	C[5,6]-4:C[5]-4:N[6]-3:C-4:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]H)(CH3)	C[5,6](C[5,6]C[5]N[6]C)(C[5,6]C[5]N[6]H)(CH3)2	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]H)(H)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]H)(CH3){1|N<3>,4|H<1>}	C[5,6](C[5,6]C[5]N[6]C)(C[5,6]C[5]N[6]H)(CH3)2{1|C<3>,1|P<4>,5|H<1>}	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]H)(H){1|P<4>,2|H<1>,4|C<4>}	105.3075	0.497	2	105.3075	0.247	2	105.3075	0.247	2	105.3075	0.247	2	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:4:3:4:	4:4:4:4:	4:3:4:	C[5,6]-4:C[5]-4:N[6]-3:C-4:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3)	C[5,6](C[5,6]C[5]N[6]C)(C[5,6]C[5]N[6]H)(CH3)2	N[6](C[5,6]C[5,6]C[5]C)(C[6]B[6,6]N[6])(CCHH)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3){1|B<3>,1|N<3>,3|H<1>}	C[5,6](C[5,6]C[5]N[6]C)(C[5,6]C[5]N[6]H)(CH3)2{1|C<3>,2|C<4>,4|H<1>}	N[6](C[5,6]C[5,6]C[5]C)(C[6]B[6,6]N[6])(CCHH){2|H<1>,7|C<4>}	105.8400	0.554	2	106.1963	0.535	3	106.2082	0.302	13	106.2082	0.302	13	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:4:3:4:	4:4:4:4:	4:3:4:	C[5,6]-4:C[5]-4:N[6]-3:C-4:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3)	C[5,6](C[5,6]C[5]N[6]C)(C[5,6]C[5]N[6]H)(CH3)2	N[6](C[5,6]C[5,6]C[5]C)(C[6]B[6,6]N[6])(CCHH)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3){1|B<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6]C[5]N[6]C)(C[5,6]C[5]N[6]H)(CH3)2{1|C<3>,2|C<4>,4|H<1>}	N[6](C[5,6]C[5,6]C[5]C)(C[6]B[6,6]N[6])(CCHH){3|H<1>,7|C<4>}	106.9090	0.000	1	106.1963	0.535	3	106.2082	0.302	13	106.2082	0.302	13	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:4:3:4:	4:4:4:4:	4:3:4:	C[5,6]-4:C[5]-4:N[6]-3:C-4:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3)	C[5,6](C[5,6]C[5]N[6]C)(C[5,6]C[5]N[6]H)(CH3)2	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]B)(CH3)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3){1|B<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6]C[5]N[6]C)(C[5,6]C[5]N[6]H)(CH3)2{1|C<3>,2|C<4>,4|H<1>}	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]B)(CH3){2|H<1>,5|C<4>}	106.8580	0.000	1	106.8580	0.000	1	106.2082	0.302	13	106.2082	0.302	13	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:4:3:4:	4:4:4:4:	4:3:4:	C[5,6]-4:C[5]-4:N[6]-3:C-4:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3)	C[5,6](C[5,6]C[5]N[6]C)(C[5,6]C[5]N[6]H)(CH3)2	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]H)(CC[6a]HH)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3){1|N<3>,4|H<1>}	C[5,6](C[5,6]C[5]N[6]C)(C[5,6]C[5]N[6]H)(CH3)2{1|C<3>,2|C<4>,4|H<1>}	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]H)(CC[6a]HH){2|H<1>,5|C<4>}	106.3308	0.607	5	106.3308	0.368	5	106.2082	0.302	13	106.2082	0.302	13	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:4:3:4:	4:4:4:4:	4:3:4:	C[5,6]-4:C[5]-4:N[6]-3:C-4:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3)	C[5,6](C[5,6]C[5]N[6]C)(C[5,6]C[5]N[6]H)(CH3)2	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]Ni)(CC[6a]HH)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3){1|Ni<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6]C[5]N[6]C)(C[5,6]C[5]N[6]H)(CH3)2{1|C<3>,2|C<4>,4|H<1>}	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]Ni)(CC[6a]HH){2|H<1>,5|C<4>}	106.2800	0.000	1	106.2800	0.000	1	106.2082	0.302	13	106.2082	0.302	13	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP2_SP3	C[5,6]	C[5,6]	N[6]	4:4:3:4:	4:4:4:4:	4:3:4:	C[5,6]-4:C[5]-4:N[6]-3:C-4:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3)	C[5,6](C[5,6]C[5]N[6]C)(C[5,6]C[5]N[6]H)(CH3)2	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]Pd)(CH3)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(N[6]C[6]C)(CH3){1|Pd<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6]C[5]N[6]C)(C[5,6]C[5]N[6]H)(CH3)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]Pd)(CH3){1|C<3>,2|H<1>,4|C<4>}	105.7750	0.076	3	105.7750	0.006	3	106.2082	0.302	13	106.2082	0.302	13	109.9465	6.915	134	110.5775	8.703	199
474	474	856	6:SP3_SP3_SP3	C[5,3x6]	C[5,6,6]	N[4x6]	4:3:4:1:	4:4:4:1:	4:4:4:	C[5,6,6]-4:N[4x6]-3:C[5,6]-4:H-1:	C[5,3x6]-4:C[3x6]-4:C[5]-4:H-1:	C[5,3x6]-4:C[3x6]-4:C[6,6]-4:	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(N[4x6]C[3x6]C[6,6])(C[5,6]C[5,5,6]HH)(H)	C[5,6,6](C[5,3x6]C[5,6]N[4x6]H)(C[3x6]C[6,6]2H)(C[5]C[5,5,6]HO)(H)	N[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[3x6]C[5,6]C[6,6]H)(C[6,6]C[6,6]CH)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(N[4x6]C[3x6]C[6,6])(C[5,6]C[5,5,6]HH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,3x6]C[5,6]N[4x6]H)(C[3x6]C[6,6]2H)(C[5]C[5,5,6]HO)(H){2|C<3>,3|C<4>,5|H<1>}	N[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[3x6]C[5,6]C[6,6]H)(C[6,6]C[6,6]CH){1|N<2>,4|C<4>,6|H<1>}	110.0870	0.000	1	110.0870	0.000	1	110.0870	0.000	1	110.0870	0.000	1	110.0870	0.000	1	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,3x6]	C[5,6]	N[4x6]	4:3:4:1:	4:4:1:1:	4:4:4:	C[5,6,6]-4:N[4x6]-3:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,3x6]-4:H-1:H-1:	C[5,3x6]-4:C[3x6]-4:C[6,6]-4:	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(N[4x6]C[3x6]C[6,6])(C[5,6]C[5,5,6]HH)(H)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,3x6]C[5,6,6]N[4x6]H)(H)2	N[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[3x6]C[5,6]C[6,6]H)(C[6,6]C[6,6]CH)	C[5,3x6](C[5,6,6]C[3x6]C[5]H)(N[4x6]C[3x6]C[6,6])(C[5,6]C[5,5,6]HH)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,3x6]C[5,6,6]N[4x6]H)(H)2{1|N<2>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	N[4x6](C[5,3x6]C[5,6,6]C[5,6]H)(C[3x6]C[5,6]C[6,6]H)(C[6,6]C[6,6]CH){1|N<2>,4|C<4>,6|H<1>}	110.2320	0.000	1	110.2320	0.000	1	110.2320	0.000	1	110.2320	0.000	1	110.2320	0.000	1	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,4x6]	C[5,4x6]	N[3x6]	3:3:4:3:	3:3:4:4:	4:4:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,4x6]-4:N[3x6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,4x6]-4:N[3x6]-4:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2)	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2H)	N[3x6](C[5,4x6]C[5,6,6a]2C[5,4x6])(C[6,6]C[6,6]HH)2	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2){2|C<4>,5|H<1>,8|C<3>}	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2H){2|C<4>,4|H<1>,8|C<3>}	N[3x6](C[5,4x6]C[5,6,6a]2C[5,4x6])(C[6,6]C[6,6]HH)2{1|N<4>,4|H<1>,6|C<3>}	109.9870	0.000	1	109.9870	0.000	1	109.8850	0.021	2	109.8850	0.021	2	109.8850	0.021	2	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,4x6]	C[5,4x6]	N[3x6]	3:3:4:3:	3:3:4:4:	4:4:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,4x6]-4:N[3x6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,4x6]-4:N[3x6]-4:	C[5,4x6]-4:C[6,6]-4:C[6,6]-4:	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2)	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2H)	N[3x6](C[5,4x6]C[5,6,6a]2C[5,4x6])(C[6,6]C[6,6]HH)2	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2){2|C<4>,5|H<1>,8|C<3>}	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2H){2|C<4>,4|H<1>,8|C<3>}	N[3x6](C[5,4x6]C[5,6,6a]2C[5,4x6])(C[6,6]C[6,6]HH)2{1|N<4>,4|H<1>,6|C<3>}	109.7830	0.000	1	109.7830	0.000	1	109.8850	0.021	2	109.8850	0.021	2	109.8850	0.021	2	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,5,6]	C[5,5,3x6]	N[6]	4:4:3:1:	4:4:4:4:	4:4:3:	C[5,5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,3x6]-4:C[5,3x6]-4:C[5,5,6]-4:C[6]-4:	C[5,5,6]-4:C[6]-4:C-3:	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H)	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO)	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO)	C[5,5,6](C[5,5,3x6]C[5,3x6]2C[6])(C[5,5,6]C[5,4x6]C[5,6]H)(N[6]C[6]C)(H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[5,5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,3x6]C[5,6]C[6,6]H)(C[5,5,6]C[5,5,6]N[6]H)(C[6]C[6]HO){3|C<3>,4|C<4>,7|H<1>}	N[6](C[5,5,6]C[5,5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(COO){1|H<1>,7|C<4>}	114.4630	0.000	1	114.4630	0.000	1	114.4630	0.000	1	114.4630	0.000	1	114.4630	0.000	1	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,5,6]	C[5,6]	N[6]	4:4:4:3:	4:4:4:1:	4:4:1:	C[5,5]-4:C[5,6]-4:C[5]-4:N[6]-3:	C[5,5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,5,6]-4:C[6]-4:H-1:	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(N[6]C[6]H)	C[5,6](C[5,5,6]C[5,5]C[5]N[6])(C[5]O[5]HH)(C[6]O[6]HH)(H)	N[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]O[6]CH)(H)	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5]O[5]HH)(N[6]C[6]H){1|O<2>,2|C<4>,6|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5]N[6])(C[5]O[5]HH)(C[6]O[6]HH)(H){1|O<2>,2|C<4>,4|H<1>}	N[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]O[6]CH)(H){2|O<2>,3|C<4>,4|H<1>}	114.8370	0.000	1	114.8370	0.000	1	114.8370	0.000	1	114.8370	0.000	1	114.8370	0.000	1	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6,6]	C[5,3x6]	N[6]	4:4:3:1:	4:4:4:4:	4:4:4:	C[5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]O[5])(N[6]C[6]C)(H)	C[5,3x6](C[5,6,6]C[5,5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	N[6](C[5,6,6]C[5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCHH)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]O[5])(N[6]C[6]C)(H){3|O<2>,6|C<4>,6|H<1>}	C[5,3x6](C[5,6,6]C[5,5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){2|O<2>,6|C<4>,7|H<1>}	N[6](C[5,6,6]C[5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCHH){1|H<1>,1|O<2>,6|C<4>}	110.6620	0.000	1	110.6620	0.000	1	110.2970	0.494	3	110.7201	1.163	20	110.7201	1.163	20	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6,6]	C[5,3x6]	N[6]	4:4:3:1:	4:4:4:4:	4:4:4:	C[5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]O[5])(N[6]C[6]C)(H)	C[5,3x6](C[5,6,6]C[5,5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HO)	N[6](C[5,6,6]C[5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCHH)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]O[5])(N[6]C[6]C)(H){4|O<2>,5|H<1>,6|C<4>}	C[5,3x6](C[5,6,6]C[5,5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HO){2|O<2>,6|H<1>,7|C<4>}	N[6](C[5,6,6]C[5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCHH){1|O<2>,7|C<4>}	109.4870	0.000	1	109.4870	0.000	1	110.2970	0.494	3	110.7201	1.163	20	110.7201	1.163	20	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6,6]	C[5,3x6]	N[6]	4:4:3:1:	4:4:4:4:	4:4:4:	C[5,3x6]-4:C[5,5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]O[5])(N[6]C[6]C)(H)	C[5,3x6](C[5,6,6]C[5,5,6]N[6]H)(C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	N[6](C[5,6,6]C[5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCHH)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,5,6]C[5,6,6]C[5]O[5])(N[6]C[6]C)(H){4|O<2>,5|H<1>,6|C<4>}	C[5,3x6](C[5,6,6]C[5,5,6]N[6]H)(C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){2|O<2>,6|H<1>,7|C<4>}	N[6](C[5,6,6]C[5,3x6]C[5,5,6]H)(C[6]C[6,6]HH)(CCHH){1|O<2>,7|C<4>}	110.7420	0.000	1	110.7420	0.000	1	110.2970	0.494	3	110.7201	1.163	20	110.7201	1.163	20	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6,6]	C[5,3x6]	N[6]	4:4:3:1:	4:4:4:4:	4:4:4:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){2|O<2>,5|C<4>,7|H<1>}	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){1|O<2>,6|C<4>,8|H<1>}	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH){1|H<1>,1|O<2>,6|C<4>}	109.8810	0.000	1	110.8026	0.920	8	110.8137	1.359	16	110.7201	1.163	20	110.7201	1.163	20	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6,6]	C[5,3x6]	N[6]	4:4:3:1:	4:4:4:4:	4:4:4:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){2|O<2>,5|C<4>,7|H<1>}	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){2|O<2>,6|C<4>,7|H<1>}	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH){1|H<1>,1|O<2>,6|C<4>}	111.0940	0.000	1	110.8026	0.920	8	110.8137	1.359	16	110.7201	1.163	20	110.7201	1.163	20	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6,6]	C[5,3x6]	N[6]	4:4:3:1:	4:4:4:4:	4:4:4:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){2|O<2>,5|C<4>,7|H<1>}	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){7|C<4>,8|H<1>}	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH){1|H<1>,7|C<4>}	110.4917	1.030	4	110.8026	0.920	8	110.8137	1.359	16	110.7201	1.163	20	110.7201	1.163	20	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6,6]	C[5,3x6]	N[6]	4:4:3:1:	4:4:4:4:	4:4:4:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){3|O<2>,5|C<4>,6|H<1>}	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){1|O<2>,7|C<4>,7|H<1>}	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH){1|H<1>,7|C<4>}	111.7395	0.426	2	110.8026	0.920	8	110.8137	1.359	16	110.7201	1.163	20	110.7201	1.163	20	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6,6]	C[5,3x6]	N[6]	4:4:3:1:	4:4:4:4:	4:4:4:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CH3)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){3|O<2>,5|C<4>,6|H<1>}	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){1|O<2>,7|C<4>,7|H<1>}	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CH3){1|H<1>,7|C<4>}	109.9105	0.035	2	109.9105	0.001	2	110.8137	1.359	16	110.7201	1.163	20	110.7201	1.163	20	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6,6]	C[5,3x6]	N[6]	4:4:3:1:	4:4:4:4:	4:4:4:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HO)	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){4|O<2>,5|C<4>,5|H<1>}	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HO){1|O<2>,7|C<4>,7|H<1>}	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH){1|H<1>,7|C<4>}	110.1190	0.000	1	110.1190	0.000	1	110.8137	1.359	16	110.7201	1.163	20	110.7201	1.163	20	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6,6]	C[5,3x6]	N[6]	4:4:3:1:	4:4:4:4:	4:4:4:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH)	C[5,6,6](C[5,3x6]C[5,6,6]C[5,6]C[6])(C[5,6]C[6,6]C[5]H)(N[6]C[6]C)(H){3|O<2>,5|C<4>,6|H<1>}	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]O)(C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO){7|C<4>,8|H<1>}	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH){1|H<1>,7|C<4>}	111.3318	1.618	5	111.3318	2.619	5	110.8137	1.359	16	110.7201	1.163	20	110.7201	1.163	20	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6,6]	C[5,3x6]	N[6]	4:4:3:1:	4:4:4:4:	4:4:4:	C[5,3x6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(N[6]C[6]C)(H)	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(N[6]C[6]C)(H){3|O<2>,5|C<4>,6|H<1>}	C[5,3x6](C[5,6,6]C[5,6]N[6]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HO){1|C<3>,1|O<2>,6|C<4>,7|H<1>}	N[6](C[5,6,6]C[5,3x6]C[5,6]H)(C[6]C[6,6]HH)(CCHH){1|H<1>,7|C<4>}	110.4910	0.000	1	110.4910	0.000	1	110.4910	0.000	1	110.7201	1.163	20	110.7201	1.163	20	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6,6]	C[5,5,6,6]	N[6]	4:2:3:1:	4:4:4:1:	4:4:4:	C[5,5,6,6]-4:O[5,6]-2:N[6]-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,5]-4:H-1:	C[5,6,6]-4:C[6]-4:S-4:	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(O[5,6]C[5,5,6])(N[6]C[6]S)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6,6]O[5,6]N[6]H)(C[5,5]C[5,5,6]HH)(H)	N[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]HH)(SC[6a]OO)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]H)(O[5,6]C[5,5,6])(N[6]C[6]S)(H){2|C<4>,6|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6]H)(C[5,6,6]O[5,6]N[6]H)(C[5,5]C[5,5,6]HH)(H){1|C<4>,1|S<4>,5|H<1>}	N[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]HH)(SC[6a]OO){3|C<4>,3|H<1>}	112.6430	0.000	1	112.6430	0.000	1	112.6430	0.000	1	112.6430	0.000	1	112.0615	0.676	2	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6,6]	C[5,5,6,6]	N[6]	4:4:3:1:	4:4:4:4:	4:4:4:	C[5,5,6,6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:S-4:	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]HH)(N[6]C[6]S)(H)	C[5,5,6,6](C[5,6,6]C[5,6]N[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[6]O[6]HH)	N[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]O[6]CH)(SC[6a]OO)	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]HH)(N[6]C[6]S)(H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]N[6]H)(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[6]O[6]HH){1|C<4>,1|S<4>,5|H<1>}	N[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]O[6]CH)(SC[6a]OO){2|H<1>,4|C<4>}	111.4800	0.000	1	111.4800	0.000	1	111.4800	0.000	1	111.4800	0.000	1	112.0615	0.676	2	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	N[6]	4:3:3:2:	4:3:3:2:	4:3:4:	C[5,6,6]-4:N[5]-3:N[6]-3:O[6]-2:	C[5,6,6]-4:C[6]-3:N[5]-3:O[6]-2:	C[5,6,6]-4:C[6]-3:C-4:	C[5,6,6](C[5,6,6]C[6]N[5]O[6])(N[5]C[5]H)(N[6]C[6]C)(O[6]C[6])	C[5,6,6](C[5,6,6]N[5]N[6]O[6])(C[6]N[6]O)(N[5]C[5]H)(O[6]C[6])	N[6](C[5,6,6]C[5,6,6]N[5]O[6])(C[6]N[6]O)(CH3)	C[5,6,6](C[5,6,6]C[6]N[5]O[6])(N[5]C[5]H)(N[6]C[6]C)(O[6]C[6]){1|C<4>,1|N<3>,3|H<1>,3|O<1>}	C[5,6,6](C[5,6,6]N[5]N[6]O[6])(C[6]N[6]O)(N[5]C[5]H)(O[6]C[6]){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	N[6](C[5,6,6]C[5,6,6]N[5]O[6])(C[6]N[6]O)(CH3){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	112.7770	0.976	2	112.7770	0.952	2	112.7770	0.952	2	112.7770	0.952	2	111.9892	12.165	6	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	N[6]	4:4:3:1:	4:4:2:1:	4:3:4:	C[5,5,6]-4:C[5,6,6]-4:N[6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:O[6]-2:H-1:	C[5,6,6]-4:C[6,6a]-3:S-4:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6,6a]S)(H)	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)(O[6]C[6,6a])(H)	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6,6a]S)(H){1|C<4>,2|C<3>,5|H<1>}	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)(O[6]C[6,6a])(H){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	105.0420	0.000	1	105.0420	0.000	1	105.0420	0.000	1	105.0420	0.000	1	111.9892	12.165	6	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	N[6]	4:4:3:1:	4:4:3:1:	4:4:1:	C[5,5,6]-4:C[5,6,6]-4:N[6]-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-4:H-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]H)(N[6]C[6]H)(H)	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)	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6a]N[6]H)(H)	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)(N[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,5|H<1>}	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>}	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6a]N[6]H)(H){2|H<1>,3|C<4>,4|C<3>}	114.4860	0.000	1	114.4860	0.000	1	114.4860	0.000	1	114.4860	0.000	1	111.9892	12.165	6	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	N[6]	4:4:3:2:	4:4:4:4:	4:4:4:	C[5,6,6]-4:C[5,6]-4:N[6]-3:O[5]-2:	C[5,6,6]-4:C[5,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[6]-4:C-4:	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]HH)(N[6]C[6]C)(O[5]C[5])	C[5,6,6](C[5,6,6]C[5,6]N[6]O[5])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)	N[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(CCHH)	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]HH)(N[6]C[6]C)(O[5]C[5]){1|O<1>,5|C<4>,7|H<1>}	C[5,6,6](C[5,6,6]C[5,6]N[6]O[5])(C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,9|H<1>}	N[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(CCHH){1|C<3>,4|C<4>,4|H<1>}	113.4265	0.064	2	113.4265	0.004	2	113.4265	0.004	2	113.4265	0.004	2	111.9892	12.165	6	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6,6]	C[5,6]	N[6,6]	4:3:3:1:	4:3:3:1:	4:4:1:	C[5,6]-4:N[5,6]-3:N[6,6]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:	C[5,6,6](C[5,6]C[5,6a]C[6]H)(N[5,6]C[5,6a]C[6])(N[6,6]C[6,6]H)(H)	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)	N[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)	C[5,6,6](C[5,6]C[5,6a]C[6]H)(N[5,6]C[5,6a]C[6])(N[6,6]C[6,6]H)(H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	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>}	N[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	112.5240	0.000	1	112.5240	0.000	1	112.5240	0.000	1	112.5240	0.000	1	111.5472	1.841	6	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6,6]	C[5,6]	N[6,6]	4:3:4:2:	4:4:4:1:	4:4:1:	C[5,6]-4:N[6,6]-3:C[6]-4:O[5]-2:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:H-1:	C[5,6,6](C[5,6]C[5]C[6]H)(N[6,6]C[6,6]H)(C[6]C[6]CH)(O[5]C[5])	C[5,6](C[5,6,6]N[6,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6]2H)(H)	C[5,6,6](C[5,6]C[5]C[6]H)(N[6,6]C[6,6]H)(C[6]C[6]CH)(O[5]C[5]){1|O<2>,2|C<4>,8|H<1>}	C[5,6](C[5,6,6]N[6,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,3|C<4>,5|H<1>}	N[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]C[6]2H)(H){5|C<4>,6|H<1>}	111.2203	1.906	3	111.2203	3.632	3	111.2203	3.632	3	111.2203	3.632	3	111.5472	1.841	6	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6,6]	C[5,6]	N[6,6]	4:3:4:4:	4:4:4:1:	4:4:2:	C[5,6]-4:N[6,6]-3:C[5]-4:C[6]-4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6,6]-4:O-2:	C[5,6,6](C[5,6]C[5]C[6]H)(N[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6](C[5,6,6]N[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H)	N[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]O[6]H)(OH)	C[5,6,6](C[5,6]C[5]C[6]H)(N[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|O<2>,9|H<1>}	C[5,6](C[5,6,6]N[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H){1|O<2>,2|C<4>,6|H<1>}	N[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]O[6]H)(OH){4|C<4>,7|H<1>}	112.1260	0.000	1	112.1260	0.000	1	112.1260	0.000	1	112.1260	0.000	1	111.5472	1.841	6	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6,6]	C[5,6]	N[6,6]	4:4:3:4:	4:4:4:1:	4:4:4:	C[3,5,6]-4:C[5,6]-4:N[6,6]-3:C-4:	C[5,6,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6]-4:	C[5,6,6](C[3,5,6]C[3,5]C[3]C[6])(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(CCHH)	C[5,6](C[5,6,6]C[3,5,6]N[6,6]C)(C[5]C[3,5]HO)(C[6]C[6]HH)(H)	N[6,6](C[5,6,6]C[3,5,6]C[5,6]C)(C[6]C[6]HH)2	C[5,6,6](C[3,5,6]C[3,5]C[3]C[6])(C[5,6]C[5]C[6]H)(N[6,6]C[6]2)(CCHH){11|H<1>,1|C<3>,1|C<4>,1|O<2>}	C[5,6](C[5,6,6]C[3,5,6]N[6,6]C)(C[5]C[3,5]HO)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	N[6,6](C[5,6,6]C[3,5,6]C[5,6]C)(C[6]C[6]HH)2{1|C<3>,4|C<4>,4|H<1>}	110.9720	0.000	1	110.9720	0.000	1	110.9720	0.000	1	110.9720	0.000	1	111.5472	1.841	6	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,3x6]	N[6]	4:3:3:2:	4:4:4:4:	4:4:4:	C[5,3x6]-4:C[5]-3:N[6]-3:O-2:	C[5,3x6]-4:C[5,6]-4:C[6,6]-4:C[6]-4:	C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,3x6]C[5,3x6]C[6,6]C[6])(C[5]C[5,6,6]O)(N[6]C[6]C)(OH)	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]C)(C[5,6]C[5]N[6]O)(C[6,6]C[3x6]HH)(C[6]C[6]HO)	N[6](C[5,6]C[5,3x6]C[5]O)(C[6]C[6]HH)(CCHH)	C[5,6](C[5,3x6]C[5,3x6]C[6,6]C[6])(C[5]C[5,6,6]O)(N[6]C[6]C)(OH){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[5,3x6](C[5,3x6]C[5,6,6]C[6,6]C)(C[5,6]C[5]N[6]O)(C[6,6]C[3x6]HH)(C[6]C[6]HO){2|O<1>,4|C<4>,4|H<1>}	N[6](C[5,6]C[5,3x6]C[5]O)(C[6]C[6]HH)(CCHH){1|O<1>,2|H<1>,4|C<4>}	115.1470	0.014	2	115.1470	0.000	2	115.1470	0.000	2	115.1470	0.000	2	113.8930	4.718	3	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,3x6]	N[6]	4:4:3:1:	4:4:4:4:	4:4:1:	C[5,3x6]-4:C[5,6,6]-4:N[6]-3:H-1:	C[5,3x6]-4:C[5,6]-4:C[3x6]-4:C[6]-4:	C[5,6]-4:C[6]-4:Cl-1:	C[5,6](C[5,3x6]C[5,3x6]C[3x6]C[6])(C[5,6,6]C[5,4x6]C[6,6]H)(N[6]C[6]Cl)(H)	C[5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,6]C[5,6,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH)	N[6](C[5,6]C[5,3x6]C[5,6,6]H)(C[6]C[6,6]HH)(Cl)	C[5,6](C[5,3x6]C[5,3x6]C[3x6]C[6])(C[5,6,6]C[5,4x6]C[6,6]H)(N[6]C[6]Cl)(H){1|O<2>,7|C<4>,7|H<1>}	C[5,3x6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5,6]C[5,6,6]N[6]H)(C[3x6]C[6,6]C[6]H)(C[6]C[6]HH){1|Cl<1>,7|C<4>,7|H<1>}	N[6](C[5,6]C[5,3x6]C[5,6,6]H)(C[6]C[6,6]HH)(Cl){1|H<1>,7|C<4>}	111.3850	0.000	1	111.3850	0.000	1	111.3850	0.000	1	111.3850	0.000	1	113.8930	4.718	3	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,5,6]	N[6]	4:3:3:1:	4:3:4:4:	4:4:4:	C[5,5,6]-4:C[5]-3:N[6]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C)(C[5]C[5]C)(N[6]C[6]C)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]H)(CH3)	N[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HH)(CH3)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C)(C[5]C[5]C)(N[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]H)(CH3){2|C<4>,2|H<1>,4|C<3>}	N[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HH)(CH3){1|H<1>,2|C<4>,4|C<3>}	109.9767	0.212	3	109.9767	0.045	3	109.9767	0.045	3	109.9767	0.045	3	108.4441	6.933	8	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,5,6]	N[6]	4:3:3:4:	4:4:3:1:	4:4:1:	C[5,5,6]-4:C[5]-3:N[6]-3:C-4:	C[5,5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5]C[5]O)(N[6]C[6]H)(CH3)	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]N[6]C)(N[5]C[5,6a]H)(H)	N[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)	C[5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5]C[5]O)(N[6]C[6]H)(CH3){2|C<3>,2|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]N[6]C)(N[5]C[5,6a]H)(H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	N[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	104.4335	1.049	2	104.4335	1.100	2	104.4335	1.100	2	104.4335	1.100	2	108.4441	6.933	8	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,5,6]	N[6]	4:4:3:1:	4:4:4:3:	4:4:4:	C[5,5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5,5]-4:C[6]-4:C[5]-3:	C[5,6]-4:C[6]-4:S-4:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]S)(H)	C[5,5,6](C[5,6]C[5]N[6]H)(C[5,5]C[5]2C)(C[6]C[6]HH)(C[5]C[5]O)	N[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(SC[6a]OO)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]S)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[5,5,6](C[5,6]C[5]N[6]H)(C[5,5]C[5]2C)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|S<4>,9|H<1>}	N[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(SC[6a]OO){1|C<3>,3|C<4>,4|H<1>}	111.2420	0.000	1	111.2420	0.000	1	111.2420	0.000	1	111.2420	0.000	1	108.4441	6.933	8	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,5,6]	N[6]	4:4:3:4:	3:4:4:4:	4:4:1:	C[5,5,6]-4:C[5]-4:N[6]-3:C-4:	C[5,5]-3:C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[5]C[5]HH)(N[6]C[6]H)(CCHH)	C[5,5,6](C[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(C[5,6]C[5]N[6]C)(C[5]C[5]HH)	N[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C[5])(C[5]C[5]HH)(N[6]C[6]H)(CCHH){1|C<3>,4|C<4>,6|H<1>}	C[5,5,6](C[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(C[5,6]C[5]N[6]C)(C[5]C[5]HH){1|C<3>,5|C<4>,8|H<1>}	N[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H){1|C<3>,3|H<1>,4|C<4>}	108.7570	0.322	2	108.7570	0.104	2	108.7570	0.104	2	108.7570	0.104	2	108.4441	6.933	8	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,6,6]	N[6]	4:3:3:1:	4:4:4:3:	4:4:4:	C[5,6,6]-4:C[5,6]-3:N[6]-3:H-1:	C[5,6,6]-4:C[5,6]-4:C[6]-4:C-3:	C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,6]N[5,6]C[6])(N[6]C[6]C)(H)	C[5,6,6](C[5,6,6]C[6,6]N[5,6]O)(C[5,6]C[5,6]N[6]H)(C[6]N[6]HH)(COO)	N[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6,6]C[6a]H)(CH3)	C[5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,6]N[5,6]C[6])(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[5,6,6](C[5,6,6]C[6,6]N[5,6]O)(C[5,6]C[5,6]N[6]H)(C[6]N[6]HH)(COO){3|C<3>,4|C<4>}	N[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6,6]C[6a]H)(CH3){1|N<2>,1|N<3>,3|C<4>,4|C<3>}	112.4110	0.000	1	112.4110	0.000	1	112.4110	0.000	1	112.4110	0.000	1	110.0700	10.961	2	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,6,6]	N[6]	4:3:4:1:	3:4:3:1:	4:3:4:	C[5,6,6]-4:N[6]-3:C[5]-4:H-1:	N[5,6]-3:C[5,6]-4:C[6,6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(N[6]C[6a]C[6])(C[5]C[5]HO)(H)	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)	N[6](C[5,6]C[5,6,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(N[6]C[6a]C[6])(C[5]C[5]HO)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	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>}	N[6](C[5,6]C[5,6,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,1|O<2>,4|C<3>,5|H<1>}	107.7290	0.000	1	107.7290	0.000	1	107.7290	0.000	1	107.7290	0.000	1	110.0700	10.961	2	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6,6]	3:4:2:4:	4:4:4:1:	4:4:4:	N[6,6]-3:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[6,6]-4:C[5,6]-4:C[6]-4:	C[5,6](N[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3)	C[5,6](C[5,6]N[6,6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)	C[5,6](N[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3){2|C<3>,2|C<4>,8|H<1>}	C[5,6](C[5,6]N[6,6]O[5]C)(C[5]C[5]CH)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5,6]O[5]C)(C[6]C[6]HH){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	109.5670	0.177	2	109.5670	0.031	2	109.5670	0.031	2	109.5670	0.031	2	110.9673	5.898	3	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6,6]	4:3:4:1:	4:3:4:4:	4:4:4:	C[5,6]-4:N[6,6]-3:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:C[5]-4:C[6]-4:	C[6,6]-4:C[5,6]-4:C[6]-4:	C[5,6](C[5,6]C[6a]C[5]C[6])(N[6,6]C[6,6]C[6])(C[5]C[5]HH)(H)	C[5,6](C[5,6]N[6,6]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH)	N[6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)	C[5,6](C[5,6]C[6a]C[5]C[6])(N[6,6]C[6,6]C[6])(C[5]C[5]HH)(H){3|C<3>,3|C<4>,8|H<1>}	C[5,6](C[5,6]N[6,6]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,3|C<4>,7|H<1>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]HH){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	113.7680	0.000	1	113.7680	0.000	1	113.7680	0.000	1	113.7680	0.000	1	110.9673	5.898	3	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	3:4:3:1:	4:3:4:4:	4:3:4:	C[5,6a]-3:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6]-4:C[6a]-3:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6a]C[6])(H)	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]O)(C[6]C[6]HH)(CH3)	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6a]C[6])(H){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]O)(C[6]C[6]HH)(CH3){1|C<4>,2|H<1>,3|C<3>}	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|C<4>,4|H<1>,5|C<3>}	114.3950	0.000	1	114.3950	0.000	1	114.3950	0.000	1	114.3950	0.000	1	110.5768	9.734	125	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	3:4:3:1:	4:4:2:3:	4:3:4:	C[5,6a]-3:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:N-3:	C[5,6]-4:C[6,6a]-3:S-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]N)(N[6]C[6,6a]S)(H)	C[5,6](C[5,6]C[5,6a]N[6]H)(C[6]C[6,6a]CH)(O[5]C[5,6a])(NOO)	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]N)(N[6]C[6,6a]S)(H){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]N[6]H)(C[6]C[6,6a]CH)(O[5]C[5,6a])(NOO){1|S<4>,4|C<3>}	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	112.3620	0.000	1	112.3620	0.000	1	112.3620	0.000	1	112.3620	0.000	1	110.5768	9.734	125	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	3:4:3:1:	4:4:4:1:	4:3:1:	C[5,5a]-3:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6,6a]-3:H-1:	C[5,6](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(H)	C[5,6](C[5,6]C[5,5a]N[6]H)(C[5]N[5,5a]HH)(C[6]C[6,6a]CC)(H)	N[6](C[5,6]C[5,5a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[5,6](C[5,5a]N[5,5a]C[5a])(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(H){1|Cl<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,5a]N[6]H)(C[5]N[5,5a]HH)(C[6]C[6,6a]CC)(H){1|H<1>,4|C<3>}	N[6](C[5,6]C[5,5a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	107.5173	0.291	3	107.5173	0.085	3	107.5173	0.085	3	107.5173	0.085	3	110.5768	9.734	125	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	3:4:3:1:	4:4:4:1:	4:4:4:	C[5,6a]-3:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:S-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6]C[6]S)(H)	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]C[6]HH)(H)	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(SC[6a]OO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(N[6]C[6]S)(H){1|C<4>,2|C<3>,7|H<1>}	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]C[6]HH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(SC[6a]OO){2|C<3>,2|C<4>,3|H<1>}	115.9250	0.000	1	115.9250	0.000	1	115.9250	0.000	1	115.9250	0.000	1	110.5768	9.734	125	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	3:4:3:1:	4:4:4:4:	4:4:4:	C[5,6a]-3:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6]C)(H)	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(CC[6a]HH)	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]O[6]H)(CC[6a]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(CC[6a]HH){2|C<3>,2|C<4>}	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]O[6]H)(CC[6a]HH){3|C<4>,4|C<3>}	117.9395	0.278	2	117.9395	0.077	2	116.2450	9.949	4	116.2450	9.949	4	110.5768	9.734	125	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	3:4:3:1:	4:4:4:4:	4:4:4:	C[5,6a]-3:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6]C)(H)	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(CC[6a]HH)	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]O[6]CC)(CC[6a]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6]C)(H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(CC[6a]HH){2|C<3>,2|C<4>}	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]O[6]CC)(CC[6a]HH){2|C<3>,3|C<4>}	111.5270	0.000	1	111.5270	0.000	1	116.2450	9.949	4	116.2450	9.949	4	110.5768	9.734	125	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	3:4:3:1:	4:4:4:4:	4:4:4:	C[5,6a]-3:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6]C)(H)	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(CH3)	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]O[6]H)(CC[6a]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]HH)(C[6]O[6]CH)(CH3){2|C<3>,2|C<4>}	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]O[6]H)(CC[6a]HH){3|C<4>,4|C<3>}	117.5740	0.000	1	117.5740	0.000	1	116.2450	9.949	4	116.2450	9.949	4	110.5768	9.734	125	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	3:4:3:4:	3:4:3:1:	4:3:2:	C[5,6a]-3:C[5,6]-4:N[6]-3:C-4:	C[5a,6]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-3:O-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(N[6]C[6]O)(CH3)	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6a]N[6]C)(N[5]C[5,6a]C)(H)	N[6](C[5,6]C[5,6a]C[5,6]C)(C[6]N[5a,6]O)(OC)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(N[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6a]N[6]C)(N[5]C[5,6a]C)(H){1|H<1>,1|O<2>,5|C<3>}	N[6](C[5,6]C[5,6a]C[5,6]C)(C[6]N[5a,6]O)(OC){1|H<1>,1|N<3>,4|C<3>}	107.4360	0.000	1	107.4360	0.000	1	107.4360	0.000	1	107.4360	0.000	1	110.5768	9.734	125	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	3:4:3:4:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[5,6]-4:N[6]-3:C-4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(N[6]C[6,6a]H)(CH3)	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5,6]C[5,6a]N[6]C)(H)2	N[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]HH)(N[6]C[6,6a]H)(CH3){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5,6]C[5,6a]N[6]C)(H)2{1|H<1>,4|C<3>}	N[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,3|H<1>,4|C<3>}	106.0980	0.000	1	106.0980	0.000	1	106.0980	0.000	1	106.0980	0.000	1	110.5768	9.734	125	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	4:3:2:1:	4:3:2:1:	4:4:3:	C[5,6]-4:N[6]-3:O[5]-2:H-1:	C[5,6]-4:N[6]-3:O[5]-2:H-1:	C[5,6]-4:C[5,6]-4:N-3:	C[5,6](C[5,6]N[6]O[5]H)(N[6]C[5,6]N)(O[5]C[5])(H)	C[5,6](C[5,6]N[6]O[5]H)(N[6]C[5,6]N)(O[5]C[5])(H)	N[6](C[5,6]C[5,6]O[5]H)2(NOO)	C[5,6](C[5,6]N[6]O[5]H)(N[6]C[5,6]N)(O[5]C[5])(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]N[6]O[5]H)(N[6]C[5,6]N)(O[5]C[5])(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	N[6](C[5,6]C[5,6]O[5]H)2(NOO){1|N<3>,2|C<4>,2|H<1>,2|O<2>}	108.9215	0.202	4	108.9215	0.041	4	108.9215	0.041	4	108.9215	0.041	4	110.5768	9.734	125	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	4:3:2:1:	4:4:4:1:	4:3:2:	C[5,6]-4:N[6]-3:O[5]-2:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:O[6]-2:	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6a]O[6])(O[5]C[5])(H)	C[5,6](C[5,6]N[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]C[6])	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6a]O[6])(O[5]C[5])(H){1|C<4>,2|C<3>,6|H<1>}	C[5,6](C[5,6]N[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,3|C<3>}	N[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]C[6]){3|C<4>,3|H<1>,4|C<3>}	111.2515	1.862	2	111.2515	3.466	2	111.2515	3.466	2	111.2515	3.466	2	110.5768	9.734	125	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	4:3:3:1:	3:4:2:4:	4:3:4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:O[6]-2:C-4:	C[5,6]-4:N[6,6]-3:S-4:	C[5,6](C[5,6]C[5,6a]O[6]C)(N[5]C[5,6a]C)(N[6]N[6,6]S)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(O[6]C[6,6])(CH3)	N[6](C[5,6]C[5,6]N[5]H)(N[6,6]C[6,6]C[6])(SC[6a]OO)	C[5,6](C[5,6]C[5,6a]O[6]C)(N[5]C[5,6a]C)(N[6]N[6,6]S)(H){2|C<3>,2|C<4>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(O[6]C[6,6])(CH3){1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	N[6](C[5,6]C[5,6]N[5]H)(N[6,6]C[6,6]C[6])(SC[6a]OO){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	113.7720	0.953	4	113.7720	0.908	4	113.7720	0.908	4	113.7720	0.908	4	110.5768	9.734	125	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	4:3:3:1:	3:4:3:1:	4:2:1:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	N[5,6]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:N[6]-2:H-1:	C[5,6](C[5,6]N[5,6]N[5]H)(N[5]C[5]C)(N[6]N[6]H)(H)	C[5,6](N[5,6]C[5,6]C[5])(C[5,6]N[5]N[6]H)(N[5]C[5]C)(H)	N[6](C[5,6]C[5,6]N[5]H)(N[6]C[5,6])(H)	C[5,6](C[5,6]N[5,6]N[5]H)(N[5]C[5]C)(N[6]N[6]H)(H){1|C<4>,1|O<1>,2|C<3>}	C[5,6](N[5,6]C[5,6]C[5])(C[5,6]N[5]N[6]H)(N[5]C[5]C)(H){1|H<1>,1|N<2>,1|S<2>,2|C<4>,2|O<1>}	N[6](C[5,6]C[5,6]N[5]H)(N[6]C[5,6])(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>,2|N<3>}	112.6690	0.000	1	112.6690	0.000	1	112.6690	0.000	1	112.6690	0.000	1	110.5768	9.734	125	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	4:3:3:1:	3:4:4:4:	3:4:1:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6]-4:C-4:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6a]C[5,6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]2)(C[5,6]N[5]N[6]H)(CCHH)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)	C[5,6](C[5,6]C[5,6a]C[5,6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H){1|C<4>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]2)(C[5,6]N[5]N[6]H)(CCHH){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H){1|H<1>,3|C<4>,4|C<3>}	115.0790	0.000	1	115.0790	0.000	1	115.0790	0.000	1	115.0790	0.000	1	110.5768	9.734	125	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	4:3:3:1:	3:4:4:4:	3:4:4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-4:C-4:	C[6,6a]-3:C[5,6]-4:S-4:	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]S)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(C[6]C[6,6a]HH)(CCHH)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(SC[6a]OO)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]S)(H){2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6]H)(C[6]C[6,6a]HH)(CCHH){1|S<4>,2|C<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(SC[6a]OO){1|H<1>,3|C<4>,4|C<3>}	116.4700	0.000	1	116.4700	0.000	1	116.4700	0.000	1	116.4700	0.000	1	110.5768	9.734	125	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	4:3:3:1:	4:2:3:1:	4:3:1:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:N[6]-2:N[5]-3:H-1:	C[5,6]-4:N[5,6]-3:H-1:	C[5,6](C[5,6]N[5]N[6]H)(N[6]N[5,6]H)(N[5]C[5]C)(H)	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6])(N[5]C[5]C)(H)	N[6](C[5,6]C[5,6]N[5]H)(N[5,6]C[5,6]C[5])(H)	C[5,6](C[5,6]N[5]N[6]H)(N[6]N[5,6]H)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>}	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6])(N[5]C[5]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	N[6](C[5,6]C[5,6]N[5]H)(N[5,6]C[5,6]C[5])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|S<2>,2|C<4>}	115.9548	0.703	4	115.9548	0.494	4	115.9548	0.494	4	115.9548	0.494	4	110.5768	9.734	125	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	4:3:3:1:	4:3:3:1:	4:4:3:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6]-4:C[6]-4:N-3:	C[5,6](C[5,6]N[5]N[6]H)(N[5]C[5]H)(N[6]C[6]N)(H)	C[5,6](C[5,6]N[5]N[6]H)(N[5]C[5]N)(N[6]C[6]N)(H)	N[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(NOO)	C[5,6](C[5,6]N[5]N[6]H)(N[5]C[5]H)(N[6]C[6]N)(H){1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[5,6](C[5,6]N[5]N[6]H)(N[5]C[5]N)(N[6]C[6]N)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	N[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(NOO){1|C<3>,2|N<3>,4|H<1>}	110.5690	0.000	1	110.5690	0.000	1	110.5690	0.000	1	108.3923	0.442	48	110.5768	9.734	125	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	4:3:3:1:	4:3:3:1:	4:4:3:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:N-3:	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]N)(N[5]C[5]N)(H)	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]N)(H)	N[6](C[5,6]C[5,6]N[5]H)2(NOO)	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]N)(N[5]C[5]N)(H){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]N)(H){2|C<4>,2|H<1>,3|N<3>}	N[6](C[5,6]C[5,6]N[5]H)2(NOO){2|C<4>,2|H<1>,5|N<3>}	107.4890	0.365	2	107.4890	0.133	2	108.3460	0.346	47	108.3923	0.442	48	110.5768	9.734	125	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	4:3:3:1:	4:3:3:1:	4:4:3:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:N-3:	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]N)(N[5]C[5]N)(H)	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]N)(N[5]C[5]N)(H)	N[6](C[5,6]C[5,6]N[5]H)2(NOO)	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]N)(N[5]C[5]N)(H){2|C<4>,2|H<1>,3|N<3>}	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]N)(N[5]C[5]N)(H){2|C<4>,2|H<1>,3|N<3>}	N[6](C[5,6]C[5,6]N[5]H)2(NOO){2|C<4>,2|H<1>,5|N<3>}	108.3841	0.569	45	108.3841	0.324	45	108.3460	0.346	47	108.3923	0.442	48	110.5768	9.734	125	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	4:3:3:1:	4:3:3:1:	4:4:4:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C-4:	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]C)(H)	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]C)(H)	N[6](C[5,6]C[5,6]N[5]H)2(CC[6a]HH)	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]C)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]C)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	N[6](C[5,6]C[5,6]N[5]H)2(CC[6a]HH){1|C<3>,2|H<1>,3|C<4>,3|N<3>}	116.2560	0.000	1	116.2860	0.002	2	116.2860	0.002	2	116.2860	0.002	2	110.5768	9.734	125	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	4:3:3:1:	4:3:3:1:	4:4:4:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C-4:	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]C)(H)	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]C)(H)	N[6](C[5,6]C[5,6]N[5]H)2(CC[6a]HH)	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]C)(H){1|N<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]C)(H){1|N<3>,3|C<4>,3|H<1>}	N[6](C[5,6]C[5,6]N[5]H)2(CC[6a]HH){1|C<3>,2|H<1>,3|C<4>,3|N<3>}	116.3160	0.000	1	116.2860	0.002	2	116.2860	0.002	2	116.2860	0.002	2	110.5768	9.734	125	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	4:3:3:1:	4:3:3:4:	4:4:4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	C[5,6]-4:N[5]-3:C[6a]-3:C[6]-4:	C[5,6]-4:C[6]-4:S-4:	C[5,6](C[5,6]C[6a]C[6]N[5])(N[5]C[6a]C[5])(N[6]C[6]S)(H)	C[5,6](C[5,6]N[5]N[6]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(C[6]N[6]HH)	N[6](C[5,6]C[5,6]N[5]H)(C[6]N[6]HH)(SC[6a]OO)	C[5,6](C[5,6]C[6a]C[6]N[5])(N[5]C[6a]C[5])(N[6]C[6]S)(H){1|N<3>,5|C<3>,6|H<1>}	C[5,6](C[5,6]N[5]N[6]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(C[6]N[6]HH){1|C<4>,1|S<4>,4|H<1>,6|C<3>}	N[6](C[5,6]C[5,6]N[5]H)(C[6]N[6]HH)(SC[6a]OO){1|N<3>,2|C<4>,3|C<3>}	111.2090	0.000	1	111.2090	0.000	1	111.2090	0.000	1	111.2090	0.000	1	110.5768	9.734	125	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	4:3:3:1:	4:4:1:1:	4:4:4:	C[5,6]-4:C[5]-3:N[6]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]O)(N[6]C[6]C)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]O[5]H)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[6a]HH)	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]O)(N[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]O[5]H)(H)2{1|O<1>,2|C<4>,2|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CC[6a]HH){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	108.8210	0.000	1	108.8210	0.000	1	108.8210	0.000	1	108.8210	0.000	1	110.5768	9.734	125	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	4:3:3:1:	4:4:2:1:	3:4:4:	C[5,6]-4:N[6]-3:C[5]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6,6a]-3:C[5,6]-4:S-4:	C[5,6](C[5,6]C[6]O[5]H)(N[6]C[6,6a]S)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(O[5]C[5])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)	C[5,6](C[5,6]C[6]O[5]H)(N[6]C[6,6a]S)(C[5]C[5]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(O[5]C[5])(H){1|S<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	114.2330	0.000	1	114.2330	0.000	1	114.2330	0.000	1	114.2330	0.000	1	110.5768	9.734	125	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	4:3:3:1:	4:4:2:4:	3:4:4:	C[5,6]-4:N[6]-3:C[5]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[6,6a]-3:C[5,6]-4:S-4:	C[5,6](C[5,6]C[6]O[5]C)(N[6]C[6,6a]S)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(O[5]C[5])(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)	C[5,6](C[5,6]C[6]O[5]C)(N[6]C[6,6a]S)(C[5]C[5]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CH)(O[5]C[5])(CH3){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	114.2930	0.000	1	114.2930	0.000	1	114.3435	0.005	2	114.3435	0.005	2	110.5768	9.734	125	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	4:3:3:1:	4:4:2:4:	3:4:4:	C[5,6]-4:N[6]-3:C[5]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[6,6a]-3:C[5,6]-4:S-4:	C[5,6](C[5,6]C[6]O[5]C)(N[6]C[6,6a]S)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]HH)(O[5]C[5])(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)	C[5,6](C[5,6]C[6]O[5]C)(N[6]C[6,6a]S)(C[5]C[5]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]HH)(O[5]C[5])(CH3){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	114.3940	0.000	1	114.3940	0.000	1	114.3435	0.005	2	114.3435	0.005	2	110.5768	9.734	125	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	4:3:3:1:	4:4:3:1:	4:2:3:	C[5,6]-4:C[5]-3:N[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:N[6]-2:C-3:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]N[6]C)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(C[5]C[5]C)(H)	N[6](C[5,6]C[5,6]C[5]H)(N[6]C[6])(CC[6a]O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]N[6]C)(H){2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(C[5]C[5]C)(H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(N[6]C[6])(CC[6a]O){1|C<4>,2|H<1>,3|C<3>}	112.3730	0.000	1	112.3730	0.000	1	112.3730	0.000	1	112.3730	0.000	1	110.5768	9.734	125	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	4:3:3:1:	4:4:3:1:	4:3:4:	C[5,6]-4:C[5]-3:N[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6]-3:S-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]S)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]C)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(SC[6a]OO)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]H)(N[6]C[6]S)(H){3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]C)(H){1|S<4>,3|C<3>,3|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	114.1625	0.051	6	114.1625	0.003	6	114.1625	0.003	6	114.1625	0.003	6	110.5768	9.734	125	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	4:3:3:1:	4:4:3:3:	3:4:1:	C[5,6]-4:N[6]-3:C[5]-3:H-1:	C[5,6]-4:C[5,6]-4:C-3:C-3:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]CC)(N[6]C[6,6a]H)(C[5]O[5]O)(H)	C[5,6](C[5,6]C[6,6a]O[5]C)(C[5,6]C[5]N[6]H)(COO)2	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[5,6](C[5,6]C[5,6]CC)(N[6]C[6,6a]H)(C[5]O[5]O)(H){1|C<4>,2|C<3>}	C[5,6](C[5,6]C[6,6a]O[5]C)(C[5,6]C[5]N[6]H)(COO)2{1|H<1>,1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	108.4140	0.000	1	108.4140	0.000	1	108.4140	0.000	1	108.4140	0.000	1	110.5768	9.734	125	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	4:3:3:3:	4:3:2:3:	4:3:1:	C[5,6]-4:C[6a]-3:N[6]-3:N[5]-3:	C[5,6]-4:C[6a]-3:N[6]-2:N[5]-3:	C[5,6]-4:N[5,6]-3:H-1:	C[5,6](C[5,6]C[6a]N[5]N[6])(C[6a]C[6a]2)(N[6]N[5,6]H)(N[5]C[5]C)	C[5,6](C[5,6]C[6a]N[5]N[6])(C[6a]C[6a]2)(N[6]C[5,6])(N[5]C[5]C)	N[6](C[5,6]C[5,6]C[6a]N[5])(N[5,6]C[5,6]C[5])(H)	C[5,6](C[5,6]C[6a]N[5]N[6])(C[6a]C[6a]2)(N[6]N[5,6]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[5,6](C[5,6]C[6a]N[5]N[6])(C[6a]C[6a]2)(N[6]C[5,6])(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|H<1>,4|C<3>}	N[6](C[5,6]C[5,6]C[6a]N[5])(N[5,6]C[5,6]C[5])(H){1|N<2>,1|N<3>,1|O<1>,1|S<2>,2|C<4>,4|C<3>}	109.4320	0.021	2	109.4320	0.000	2	109.4320	0.000	2	112.2082	10.612	4	110.5768	9.734	125	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	4:3:3:3:	4:3:2:3:	4:3:1:	C[5,6]-4:N[6]-3:C[6a]-3:N[5]-3:	C[5,6]-4:C[6a]-3:N[6]-2:N[5]-3:	C[5,6]-4:N[5a,6]-3:H-1:	C[5,6](C[5,6]C[6a]N[5]N[6])(N[6]N[5a,6]H)(C[6a]C[6a]2)(N[5]C[5]C)	C[5,6](C[5,6]C[6a]N[5]N[6])(C[6a]C[6a]2)(N[6]C[5a,6])(N[5]C[5]C)	N[6](C[5,6]C[5,6]C[6a]N[5])(N[5a,6]C[5a,6]C[5a])(H)	C[5,6](C[5,6]C[6a]N[5]N[6])(N[6]N[5a,6]H)(C[6a]C[6a]2)(N[5]C[5]C){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[5,6](C[5,6]C[6a]N[5]N[6])(C[6a]C[6a]2)(N[6]C[5a,6])(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|H<1>,4|C<3>}	N[6](C[5,6]C[5,6]C[6a]N[5])(N[5a,6]C[5a,6]C[5a])(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|S<2>,5|C<3>}	114.9845	1.002	2	114.9845	1.004	2	114.9845	1.004	2	112.2082	10.612	4	110.5768	9.734	125	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	4:3:4:1:	4:2:4:1:	3:4:4:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:S-4:	C[5,6](C[5,6]C[5]O[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]N[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)	C[5,6](C[5,6]C[5]O[6]H)(N[6]C[6,6a]S)(C[5]C[5]HH)(H){2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	108.6680	0.000	1	108.6680	0.000	1	108.6680	0.000	1	108.6680	0.000	1	110.5768	9.734	125	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	4:3:4:1:	4:4:2:4:	3:4:4:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[6]-4:C[5,6]-4:O[5]-2:C-4:	C[5a,6]-3:C[5,6]-4:S-4:	C[5,6](C[5,6]C[6]O[5]C)(N[6]C[5a,6]S)(C[5]C[5]HH)(H)	C[5,6](C[6]C[5a,6]C[6a]H)(C[5,6]C[5]N[6]H)(O[5]C[5])(CH3)	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)	C[5,6](C[5,6]C[6]O[5]C)(N[6]C[5a,6]S)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6](C[6]C[5a,6]C[6a]H)(C[5,6]C[5]N[6]H)(O[5]C[5])(CH3){1|O<1>,1|O<2>,1|S<4>,2|H<1>,3|C<3>}	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5]H)(SC[6a]OO){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	114.9280	0.000	1	114.9280	0.000	1	114.9280	0.000	1	114.9280	0.000	1	110.5768	9.734	125	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	4:3:4:1:	4:4:3:1:	4:4:1:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[6,6]-4:H-1:	C[5,6](C[5,6]C[5]N[6]H)(N[6]C[6,6]H)(C[5]O[5]HH)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[5]O[5]HH)(N[6]C[6]C)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]3)(H)	C[5,6](C[5,6]C[5]N[6]H)(N[6]C[6,6]H)(C[5]O[5]HH)(H){2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]N[6]H)(C[5]O[5]HH)(N[6]C[6]C)(H){1|C<4>,5|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]3)(H){1|N<3>,1|O<2>,3|C<4>,9|H<1>}	115.1140	0.000	1	115.1140	0.000	1	115.1140	0.000	1	115.1140	0.000	1	110.5768	9.734	125	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	4:3:4:1:	4:4:4:1:	3:4:1:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CC)(C[5]N[5]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]CC)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	108.9040	0.000	1	108.9040	0.000	1	108.9040	0.000	1	109.1796	0.427	5	110.5768	9.734	125	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	4:3:4:1:	4:4:4:1:	3:4:1:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[6]-4:C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6]H)(C[5]N[5]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(C[5]N[5]CH)(H){1|S<4>,3|C<3>,3|H<1>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6]H)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	109.2485	0.734	4	109.2485	0.538	4	109.2485	0.538	4	109.1796	0.427	5	110.5768	9.734	125	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	4:4:3:1:	3:3:4:1:	4:4:4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6]-4:S-4:	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]CH)(N[6]C[6]S)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(SC[6a]OO)	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]CH)(N[6]C[6]S)(H){2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(H){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(SC[6a]OO){1|C<4>,2|H<1>,4|C<3>}	112.6860	0.000	2	112.6860	0.000	2	112.6505	0.002	4	112.6505	0.002	4	110.5768	9.734	125	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	4:4:3:1:	3:3:4:1:	4:4:4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6]-4:S-4:	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]HH)(N[6]C[6]S)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(SC[6a]OO)	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]HH)(N[6]C[6]S)(H){2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(H){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(SC[6a]OO){3|H<1>,4|C<3>}	112.6150	0.000	2	112.6150	0.000	2	112.6505	0.002	4	112.6505	0.002	4	110.5768	9.734	125	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	4:4:3:1:	3:4:3:3:	4:4:4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]HH)(N[6]C[6]C)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)	C[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[5]C[5,6a]HH)(N[6]C[6]C)(H){3|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH){2|H<1>,5|C<3>}	111.8880	0.528	3	111.8880	0.279	3	111.8880	0.279	3	111.8880	0.279	3	110.5768	9.734	125	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	4:4:3:1:	3:4:4:1:	4:4:4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,5a]-3:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]C[5,5a]HS)(N[6]C[6]C)(H)	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5]N[6]H)(C[6]C[6]HH)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]HH)	C[5,6](C[5,6]C[5,5a]C[6]H)(C[5]C[5,5a]HS)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,6](C[5,5a]C[5,5a]N[5a])(C[5,6]C[5]N[6]H)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|S<4>,3|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	116.5100	0.000	1	116.5100	0.000	1	116.5100	0.000	1	116.5100	0.000	1	110.5768	9.734	125	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	4:4:3:1:	4:2:4:1:	3:4:1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:O[6]-2:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]C[5]H)(N[6]C[6,6a]H)(H)	C[5,6](C[5,6]C[5]N[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]C[5]H)(N[6]C[6,6a]H)(H){1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]N[6]H)(O[6]C[6,6a])(C[5]C[5]HH)(H){1|O<1>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	111.0470	0.000	1	111.0470	0.000	1	111.0470	0.000	1	111.0470	0.000	1	110.5768	9.734	125	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	4:4:3:1:	4:3:4:1:	4:4:4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:N[6]-3:C[5]-4:H-1:	C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[5]N[6]H)(C[5]O[5]HH)(N[6]C[6]C)(H)	C[5,6](C[5,6]C[5]N[6]H)(N[6]C[6,6]H)(C[5]O[5]HH)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CC[6a]HH)	C[5,6](C[5,6]C[5]N[6]H)(C[5]O[5]HH)(N[6]C[6]C)(H){1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(N[6]C[6,6]H)(C[5]O[5]HH)(H){2|H<1>,4|C<4>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(CC[6a]HH){1|N<3>,1|O<2>,3|C<4>,3|H<1>}	108.2780	0.000	1	108.2780	0.000	1	108.2780	0.000	1	108.2780	0.000	1	110.5768	9.734	125	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	4:4:3:1:	4:4:1:1:	4:4:4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:S-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HO)(N[6]C[6]S)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]N[6]H)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(SC[6a]OO)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HO)(N[6]C[6]S)(H){1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[5]N[6]H)(H)2{1|C<4>,1|O<2>,1|S<4>,5|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(SC[6a]OO){1|O<2>,2|C<4>,5|H<1>}	107.4370	0.000	1	107.4370	0.000	1	108.9415	4.527	2	108.9415	4.527	2	110.5768	9.734	125	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	4:4:3:1:	4:4:1:1:	4:4:4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C[6]-4:S-4:	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CH)(N[6]C[6]S)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]O[5]H)(H)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(SC[6a]OO)	C[5,6](C[5,6]C[5,6]HH)(C[5]O[5]CH)(N[6]C[6]S)(H){1|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]O[5]H)(H)2{1|S<4>,2|C<4>,3|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(SC[6a]OO){1|O<2>,2|C<4>,5|H<1>}	110.4460	0.000	1	110.4460	0.000	1	108.9415	4.527	2	108.9415	4.527	2	110.5768	9.734	125	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	4:4:3:1:	4:4:2:1:	4:4:1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:S[6]-4:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[5]N[6a]O[5]H)(N[6]S[6]H)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]O[5]C)(OH)(H)	N[6](C[5,6]C[5,6]C[5]H)(S[6]C[6]OO)(H)	C[5,6](C[5,6]C[5,6]HO)(C[5]N[6a]O[5]H)(N[6]S[6]H)(H){2|C<3>,2|C<4>,2|O<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]O[5]C)(OH)(H){1|N<3>,1|S<4>,4|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(S[6]C[6]OO)(H){1|C<4>,1|N<3>,2|O<2>,4|H<1>}	111.8090	0.000	1	111.8090	0.000	1	111.8090	0.000	1	111.8090	0.000	1	110.5768	9.734	125	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	4:4:3:1:	4:4:2:1:	4:4:3:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(N[6]C[6]C)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5])(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,4|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(COO){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	108.2330	0.000	1	108.2330	0.000	1	108.2330	0.000	1	108.2330	0.000	1	110.5768	9.734	125	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	4:4:3:1:	4:4:2:1:	4:4:4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:S-4:	C[5,6](C[5,6]C[5,6]HO)(C[5]N[5]HH)(N[6]C[6]S)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]N[5]H)(OH)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(SC[6a]OO)	C[5,6](C[5,6]C[5,6]HO)(C[5]N[5]HH)(N[6]C[6]S)(H){1|C<4>,1|S<4>,3|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[5,6]C[6]N[5]H)(OH)(H){1|C<4>,1|O<2>,2|S<4>,3|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|N<3>,2|O<2>,4|H<1>}	105.8060	1.107	2	105.8060	1.226	2	105.8060	1.226	2	108.6513	24.901	3	110.5768	9.734	125	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	4:4:3:1:	4:4:2:1:	4:4:4:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-4:C[6]-4:C-4:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(N[6]C[6]C)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HO)(O[5]C[5])(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]CH)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HO)(N[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[6]C[6]HO)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CC[6a]CH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	114.3420	0.000	1	114.3420	0.000	1	114.3420	0.000	1	108.6513	24.901	3	110.5768	9.734	125	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	4:4:3:1:	4:4:4:1:	3:4:1:	C[5,6]-4:C[5,6]-4:N[6]-3:H-1:	C[5,6]-4:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(H)	C[5,6](C[5,6]C[5,6]N[6]H)(C[6]C[6,6a]HH)(C[5]C[5,6]HH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(N[6]C[6,6a]H)(H){2|C<3>,2|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]N[6]H)(C[6]C[6,6a]HH)(C[5]C[5,6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(H){2|C<3>,2|H<1>,5|C<4>}	108.2200	0.000	1	108.2200	0.000	1	108.2200	0.000	1	108.2200	0.000	1	110.5768	9.734	125	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	4:4:3:1:	4:4:4:1:	4:4:1:	C[5,6]-4:C[5]-4:N[6]-3:H-1:	C[5,6]-4:C[5]-4:S[6]-4:H-1:	C[5,6]-4:C[6]-4:H-1:	C[5,6](C[5,6]C[5]S[6]H)(C[5]N[6a]O[5]H)(N[6]C[6]H)(H)	C[5,6](C[5,6]C[5]N[6]H)(C[5]O[5]CH)(S[6]C[6]OO)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[5]S[6]H)(C[5]N[6a]O[5]H)(N[6]C[6]H)(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[5]O[5]CH)(S[6]C[6]OO)(H){1|C<4>,1|N<3>,4|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,1|S<4>,4|H<1>}	110.2850	0.000	1	110.2850	0.000	1	110.2850	0.000	1	110.2850	0.000	1	110.5768	9.734	125	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	4:4:3:3:	3:4:4:1:	3:4:1:	C[5,6]-4:C[5]-4:C[5]-3:N[6]-3:	C[5,6a]-3:C[5,6]-4:C[5,6]-4:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(N[6]C[6,6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]2)(C[5,6]C[5]2N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H)	C[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(N[6]C[6,6a]H){8|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]2)(C[5,6]C[5]2N[6])(H){2|O<1>,4|H<1>,8|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	107.7630	0.000	1	107.7630	0.000	1	107.7630	0.000	1	107.7630	0.000	1	110.5768	9.734	125	110.6824	8.366	181
474	474	856	6:SP3_SP3_SP3	C[5,6]	C[5,6]	N[6]	4:4:3:4:	4:4:1:1:	3:4:1:	C[5,6]-4:C[5]-4:N[6]-3:C-4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]H)(N[6]C[6,6a]H)(CH3)	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5,6]C[5]N[6]C)(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[6a]C[5]H)(N[6]C[6,6a]H)(CH3){1|C<4>,1|O<1>,4|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5,6]C[5]N[6]C)(H)2{1|O<1>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H){1|C<4>,4|C<3>,4|H<1>}	107.2340	0.000	1	107.2340	0.000	1	107.2340	0.000	1	107.2340	0.000	1	110.5768	9.734	125	110.6824	8.366	181
474	474	861	0:SP3_SP3_SP3	C[5]	C[5]	Se	4:4:4:1:	4:2:2:1:	3:4:1:1:	C[5]-4:C[5]-4:Se-4:H-1:	C[5]-4:O[5]-2:O-2:H-1:	C[6a]-3:C[5]-4:O-1:O-1:	C[5](C[5]C[5]HO)(C[5]O[5]HO)(SeC[6a]OO)(H)	C[5](C[5]C[5]SeH)(O[5]C[5])(OC)(H)	Se(C[6a]C[6a]2)(C[5]C[5]2H)(O)2	C[5](C[5]C[5]HO)(C[5]O[5]HO)(SeC[6a]OO)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]SeH)(O[5]C[5])(OC)(H){1|C<4>,1|O<2>,2|H<1>}	Se(C[6a]C[6a]2)(C[5]C[5]2H)(O)2	109.5600	0.000	1	109.5600	0.000	1	109.5600	0.000	1	109.5600	0.000	1	112.5447	11.586	6	112.5447	11.586	6
474	474	861	0:SP3_SP3_SP3	C[5]	C[5]	Se	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:Se-4:H-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:C[5]-4:Br-1:Br-1:	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(SeC[5]Br2)(H)	C[5](C[5]C[5]SeH)(C[5]C[5]HH)(Br)(H)	Se(C[5]C[5]2H)2(Br)2	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(SeC[5]Br2)(H){4|H<1>}	C[5](C[5]C[5]SeH)(C[5]C[5]HH)(Br)(H){4|H<1>}	Se(C[5]C[5]2H)2(Br)2	110.0960	0.000	1	110.0960	0.000	1	110.0960	0.000	1	113.3533	15.448	4	112.5447	11.586	6	112.5447	11.586	6
474	474	861	0:SP3_SP3_SP3	C[5]	C[5]	Se	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:Se-4:H-1:	C[5]-4:C[5]-4:Cl-1:H-1:	C[5]-4:C[5]-4:Cl-1:Cl-1:	C[5](C[5]C[5]ClH)(C[5]C[5]HH)(SeC[5]Cl2)(H)	C[5](C[5]C[5]SeH)(C[5]C[5]HH)(Cl)(H)	Se(C[5]C[5]2H)2(Cl)2	C[5](C[5]C[5]ClH)(C[5]C[5]HH)(SeC[5]Cl2)(H){4|H<1>}	C[5](C[5]C[5]SeH)(C[5]C[5]HH)(Cl)(H){4|H<1>}	Se(C[5]C[5]2H)2(Cl)2	109.8070	0.000	1	109.8070	0.000	1	109.8070	0.000	1	113.3533	15.448	4	112.5447	11.586	6	112.5447	11.586	6
474	474	861	0:SP3_SP3_SP3	C[5]	C[5]	Se	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:Se-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:Br-1:Br-1:	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(SeC[5]Br2)(H)	C[5](C[5]C[5]SeH)(C[5]C[5]HH)(H)2	Se(C[5]C[5]2H)2(Br)2	C[5](C[5]C[5]BrH)(C[5]C[5]HH)(SeC[5]Br2)(H){4|H<1>}	C[5](C[5]C[5]SeH)(C[5]C[5]HH)(H)2{1|Br<1>,3|H<1>}	Se(C[5]C[5]2H)2(Br)2	116.6710	0.000	1	116.6710	0.000	1	116.6710	0.000	1	113.3533	15.448	4	112.5447	11.586	6	112.5447	11.586	6
474	474	861	0:SP3_SP3_SP3	C[5]	C[5]	Se	4:4:4:1:	4:4:1:1:	4:4:1:1:	C[5]-4:C[5]-4:Se-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:Cl-1:Cl-1:	C[5](C[5]C[5]ClH)(C[5]C[5]HH)(SeC[5]Cl2)(H)	C[5](C[5]C[5]SeH)(C[5]C[5]HH)(H)2	Se(C[5]C[5]2H)2(Cl)2	C[5](C[5]C[5]ClH)(C[5]C[5]HH)(SeC[5]Cl2)(H){4|H<1>}	C[5](C[5]C[5]SeH)(C[5]C[5]HH)(H)2{1|Cl<1>,3|H<1>}	Se(C[5]C[5]2H)2(Cl)2	116.8390	0.000	1	116.8390	0.000	1	116.8390	0.000	1	113.3533	15.448	4	112.5447	11.586	6	112.5447	11.586	6
474	474	861	0:SP3_SP3_SP3	C[5]	C[5]	Se	4:4:4:1:	4:4:2:1:	3:4:1:1:	C[5]-4:C[5]-4:Se-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:O-1:O-1:	C[5](C[5]C[5]HO)(C[5]O[5]HO)(SeC[6a]OO)(H)	C[5](C[5]C[5]SeH)(C[5]O[5]CH)(OH)(H)	Se(C[6a]C[6a]2)(C[5]C[5]2H)(O)2	C[5](C[5]C[5]HO)(C[5]O[5]HO)(SeC[6a]OO)(H){1|C<4>,1|H<1>}	C[5](C[5]C[5]SeH)(C[5]O[5]CH)(OH)(H){1|H<1>,1|O<2>}	Se(C[6a]C[6a]2)(C[5]C[5]2H)(O)2	112.2950	0.000	1	112.2950	0.000	1	112.2950	0.000	1	112.2950	0.000	1	112.5447	11.586	6	112.5447	11.586	6
474	474	863	0:SP3_SP2_SP3	C[5,5,3x6]	C[5,3x6]	O	4:4:4:1:	4:3:3:3:	4:	C[5,3x6]-4:C[5,5,6,6]-4:C[5,6,6]-4:O-1:	C[5,5,3x6]-4:C[5,6]-3:C[6,6]-3:C[6]-3:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,3x6]C[5,6]C[6,6]C[6])(C[5,5,6,6]C[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]C)(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)	O(C[5,5,3x6]C[5,5,6,6]C[5,3x6]C[5,6,6])	C[5,5,3x6](C[5,3x6]C[5,6]C[6,6]C[6])(C[5,5,6,6]C[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]C)(O){1|C<3>,2|C<4>,3|O<1>,8|H<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){2|H<1>,3|C<3>,7|C<4>}	O(C[5,5,3x6]C[5,5,6,6]C[5,3x6]C[5,6,6])	111.0920	0.000	1	111.0920	0.000	1	111.0920	0.000	1	111.0920	0.000	1	111.0920	0.000	1	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5,5,3x6]	C[5,5,6,6]	O	4:4:4:1:	4:3:4:4:	4:	C[5,3x6]-4:C[5,5,6,6]-4:C[5,6,6]-4:O-1:	C[5,5,3x6]-4:C[6,6]-3:C[5]-4:C[5]-4:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,3x6]C[5,6]C[6,6]C[6])(C[5,5,6,6]C[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]C)(O)	C[5,5,6,6](C[5,5,3x6]C[5,3x6]C[5,6,6]O)(C[6,6]C[3x6]O)(C[5]C[5,6]HH)(C[5]C[5]HH)	O(C[5,5,3x6]C[5,5,6,6]C[5,3x6]C[5,6,6])	C[5,5,3x6](C[5,3x6]C[5,6]C[6,6]C[6])(C[5,5,6,6]C[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]C)(O){1|C<3>,2|C<4>,3|O<1>,8|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,3x6]C[5,6,6]O)(C[6,6]C[3x6]O)(C[5]C[5,6]HH)(C[5]C[5]HH){2|C<3>,2|H<1>,4|C<4>}	O(C[5,5,3x6]C[5,5,6,6]C[5,3x6]C[5,6,6])	106.6830	0.000	1	106.6830	0.000	1	106.6830	0.000	1	106.6830	0.000	1	106.6830	0.000	1	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5,5,3x6]	C[5,6,6]	O	4:4:4:1:	4:4:4:4:	4:	C[5,3x6]-4:C[5,5,6,6]-4:C[5,6,6]-4:O-1:	C[5,5,3x6]-4:C[6,6]-4:C[5]-4:C-4:	C[5,5,3x6]-4:	C[5,5,3x6](C[5,3x6]C[5,6]C[6,6]C[6])(C[5,5,6,6]C[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]C)(O)	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]O)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(CH3)	O(C[5,5,3x6]C[5,5,6,6]C[5,3x6]C[5,6,6])	C[5,5,3x6](C[5,3x6]C[5,6]C[6,6]C[6])(C[5,5,6,6]C[6,6]C[5]2)(C[5,6,6]C[6,6]C[5]C)(O){1|C<3>,2|C<4>,3|O<1>,8|H<1>}	C[5,6,6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]O)(C[6,6]C[3x6]HH)(C[5]C[5]HH)(CH3){2|C<4>,2|H<1>,4|C<3>}	O(C[5,5,3x6]C[5,5,6,6]C[5,3x6]C[5,6,6])	111.6460	0.000	1	111.6460	0.000	1	111.6460	0.000	1	111.6460	0.000	1	111.6460	0.000	1	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5,5]	C[3x5]	O	3:3:4:1:	4:4:4:4:	4:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:O-1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:C-4:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(O)	C[3x5](C[5,5]C[5,6a]2H)2(C[5,5]C[5,6a]2O)(CH3)	O(C[5,5]C[5,6a]2C[3x5])	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(O){2|H<1>,8|C<3>}	C[3x5](C[5,5]C[5,6a]2H)2(C[5,5]C[5,6a]2O)(CH3){6|C<3>}	O(C[5,5]C[5,6a]2C[3x5])	114.8490	0.000	1	114.8490	0.000	1	114.8490	0.000	1	114.8490	0.000	1	114.8490	0.000	1	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5,5]	C[5,5,3x6]	O	4:3:4:1:	3:4:3:4:	4:	C[5,5,3x6]-4:C[5,6a]-3:C[5]-4:O-1:	N[5,6,6]-3:C[5,5]-4:N[5,6,6]-3:C[6,6]-4:	C[5,5]-4:	C[5,5](C[5,5,3x6]N[5,6,6]2C[6,6])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	C[5,5,3x6](N[5,6,6]C[5,6a]C[6,6])(C[5,5]C[5,6a]C[5]O)(N[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]CC)	O(C[5,5]C[5,5,3x6]C[5,6a]C[5])	C[5,5](C[5,5,3x6]N[5,6,6]2C[6,6])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|C<4>,3|H<1>,5|C<3>}	C[5,5,3x6](N[5,6,6]C[5,6a]C[6,6])(C[5,5]C[5,6a]C[5]O)(N[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]CC){1|C<4>,2|C<3>,2|O<1>,6|H<1>}	O(C[5,5]C[5,5,3x6]C[5,6a]C[5])	112.6210	0.000	1	112.6210	0.000	1	112.6210	0.000	1	112.6210	0.000	1	112.6210	0.000	1	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5,5]	C[5,5]	O	3:4:4:1:	4:3:2:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(O)	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O[5]C[5])(H)	O(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(O){1|C<4>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O[5]C[5])(H){2|C<3>,4|H<1>}	O(C[5,5]C[5,6a]C[5,5]C[5])	115.4110	0.000	1	115.4110	0.000	1	115.4110	0.000	1	115.4110	0.000	1	113.2430	9.400	2	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5,5]	C[5,5]	O	4:4:4:1:	4:3:3:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-3:C[5]-3:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5,5](C[5,5]C[5]2O)(C[5]C[5]H)(C[5]C[5]O)(H)	O(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CC)(C[5]C[5]HH)(O){1|O<1>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]2O)(C[5]C[5]H)(C[5]C[5]O)(H){3|H<1>,4|C<4>}	O(C[5,5]C[5,5]C[5]2)	111.0750	0.000	1	111.0750	0.000	1	111.0750	0.000	1	111.0750	0.000	1	113.2430	9.400	2	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5,5]	C[5]	O	3:4:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5,5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(O)	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]O[5]HH)(H)2	O(C[5,5]C[5,6a]C[5,5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]HH)(O){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]O)(C[5]O[5]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	O(C[5,5]C[5,6a]C[5,5]C[5])	111.4120	0.000	1	111.4120	0.000	1	111.4120	0.000	1	111.4120	0.000	1	110.3287	6.319	4	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5,5]	C[5]	O	4:3:4:1:	4:4:1:1:	4:	C[5,5,3x6]-4:C[5,6a]-3:C[5]-4:O-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5,3x6]N[5,6,6]2C[6,6])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O)	C[5](C[5,5]C[5,5,3x6]C[5,6a]O)(C[5]N[5,6,6]HH)(H)2	O(C[5,5]C[5,5,3x6]C[5,6a]C[5])	C[5,5](C[5,5,3x6]N[5,6,6]2C[6,6])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O){2|C<4>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,5,3x6]C[5,6a]O)(C[5]N[5,6,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	O(C[5,5]C[5,5,3x6]C[5,6a]C[5])	112.2280	0.000	1	112.2280	0.000	1	112.2280	0.000	1	112.2280	0.000	1	110.3287	6.319	4	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5,5]	C[5]	O	4:4:4:1:	4:3:1:1:	4:	C[5,5]-4:C[5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]H)(H)2	O(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CC)(C[5]C[5]HH)(O){1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]H)(H)2{1|C<3>,2|H<1>,3|C<4>}	O(C[5,5]C[5,5]C[5]2)	111.0430	0.000	1	111.0430	0.000	1	111.0430	0.000	1	111.0430	0.000	1	110.3287	6.319	4	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5,5]	C[5]	O	4:4:4:1:	4:4:4:4:	4:	C[5,5]-4:C[5]-4:C[5]-4:O-1:	C[5,5]-4:C[5]-4:C-4:C-4:	C[5,5]-4:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CC)(CHHO)(CH3)	O(C[5,5]C[5,5]C[5]2)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CC)(C[5]C[5]HH)(O){1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]C[5]CC)(CHHO)(CH3){1|O<1>,2|C<3>,3|H<1>}	O(C[5,5]C[5,5]C[5]2)	106.6320	0.000	1	106.6320	0.000	1	106.6320	0.000	1	106.6320	0.000	1	110.3287	6.319	4	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5,6,6]	C[5,6,6]	O	4:4:4:1:	4:4:3:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-4:O-1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]HH)(O)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]O)(C[5]O[5]O)(H)	O(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]HH)(O){1|H<1>,1|O<1>,4|C<4>}	C[5,6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[3x6]C[5]O)(C[5]O[5]O)(H){2|C<4>,2|O<2>,5|H<1>}	O(C[5,6,6]C[5,6,6]C[3x6]C[5])	107.7070	0.000	1	107.7070	0.000	1	107.7070	0.000	1	107.7070	0.000	1	107.7070	0.000	1	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5,6,6]	C[5]	O	4:4:4:1:	4:2:1:1:	4:	C[3x6]-4:C[5,6,6]-4:C[5]-4:O-1:	C[5,6,6]-4:O[5]-2:H-1:H-1:	C[5,6,6]-4:	C[5,6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]HH)(O)	C[5](C[5,6,6]C[5,6,6]C[3x6]O)(O[5]C[5])(H)2	O(C[5,6,6]C[5,6,6]C[3x6]C[5])	C[5,6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[3x6]C[5]H)(C[5]O[5]HH)(O){1|H<1>,1|O<1>,4|C<4>}	C[5](C[5,6,6]C[5,6,6]C[3x6]O)(O[5]C[5])(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O(C[5,6,6]C[5,6,6]C[3x6]C[5])	111.2430	0.000	1	111.2430	0.000	1	111.2430	0.000	1	111.2430	0.000	1	111.2430	0.000	1	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	O	4:4:1:1:	4:4:4:4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:O-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)(O)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CHHS)	O(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)(O){3|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(CHHS){5|H<1>}	O(C[5,6]C[5,5,6]C[5,6]H)	113.9135	0.302	2	113.9135	0.091	2	113.9135	0.091	2	113.9135	0.091	2	113.6720	0.981	4	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	O	4:4:2:1:	4:2:3:1:	4:	C[5,5,6]-4:C[5,6]-4:C-2:O-1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(CN)(O)	C[5,5,6](C[5,6]C[5,6]CO)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H)	O(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(CN)(O){1|C<3>,2|H<1>}	C[5,5,6](C[5,6]C[5,6]CO)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(H){4|H<1>}	O(C[5,6]C[5,5,6]C[5,6]C)	114.5750	0.000	1	114.5750	0.000	1	114.5750	0.000	1	114.5750	0.000	1	113.6720	0.981	4	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5,6]	C[5,5,6]	O	4:4:4:1:	4:4:2:3:	4:	C[5,5,6]-4:C[5,6,6]-4:C-4:O-1:	C[5,5,6]-4:C[5,6]-4:O[5,6]-2:C-3:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[6,6]O[5,6]C)(CH3)(O)	C[5,5,6](C[5,5,6]O[5,6]2C)(C[5,6]C[5,6,6]CO)(O[5,6]C[5,6,6])(CCO)	O(C[5,6]C[5,5,6]C[5,6,6]C)	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[6,6]O[5,6]C)(CH3)(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,5,6](C[5,5,6]O[5,6]2C)(C[5,6]C[5,6,6]CO)(O[5,6]C[5,6,6])(CCO){3|C<4>}	O(C[5,6]C[5,5,6]C[5,6,6]C)	112.2860	0.000	1	112.2860	0.000	1	112.2860	0.000	1	112.2860	0.000	1	113.6720	0.981	4	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5,6]	C[5,6,6]	O	4:4:4:1:	4:4:2:4:	4:	C[5,5,6]-4:C[5,6,6]-4:C-4:O-1:	C[5,6]-4:C[6,6]-4:O[5,6]-2:C-4:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[6,6]O[5,6]C)(CH3)(O)	C[5,6,6](C[5,6]C[5,5,6]CO)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(CH3)	O(C[5,6]C[5,5,6]C[5,6,6]C)	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6,6]C[6,6]O[5,6]C)(CH3)(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6,6](C[5,6]C[5,5,6]CO)(C[6,6]C[5,6,6]CH)(O[5,6]C[5,5,6])(CH3){1|C<3>,2|C<4>,2|O<2>}	O(C[5,6]C[5,5,6]C[5,6,6]C)	105.6810	0.000	1	105.6810	0.000	1	105.6810	0.000	1	105.6810	0.000	1	105.6810	0.000	1	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:4:1:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:H-1:O-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)(O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2	O(C[5,6]C[5,5,6]C[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)(O){3|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(H)2{2|H<1>,4|C<4>}	O(C[5,6]C[5,5,6]C[5,6]H)	111.1945	0.278	2	111.1945	0.077	2	111.1945	0.077	2	111.1945	0.077	2	110.5225	1.826	4	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:1:1:	4:	C[5,5,6]-4:C[5,6]-4:C-2:O-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(CN)(O)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CO)(H)2	O(C[5,6]C[5,5,6]C[5,6]C)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]HH)(CN)(O){1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CO)(H)2{1|C<3>,2|H<1>}	O(C[5,6]C[5,5,6]C[5,6]C)	108.5100	0.000	1	108.5100	0.000	1	108.5100	0.000	1	109.8505	3.594	2	110.5225	1.826	4	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5,6]	C[5,6]	O	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[6]-4:O[5]-2:O-1:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(H)2	O(C[5,6]C[5,6]C[6]O[5])	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(O[5]C[5])(O){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]O)(H)2{2|C<3>,2|C<4>,3|H<1>}	O(C[5,6]C[5,6]C[6]O[5])	111.1910	0.000	1	111.1910	0.000	1	111.1910	0.000	1	109.8505	3.594	2	110.5225	1.826	4	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5]	C[5,5]	O	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:O-1:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(H)(O)	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(H)(O){2|C<4>,2|H<1>,2|O<2>}	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HO)(O[5]C[5])(H){1|H<1>,3|C<4>}	O(C[5]C[5,5]C[5]H)	112.2185	0.412	4	112.2185	0.170	4	112.2185	0.170	4	112.2185	0.170	4	112.1818	0.134	5	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5]	C[5,5]	O	4:4:3:1:	4:4:3:1:	4:	C[5,5]-4:C[5]-4:C-3:O-1:	C[5,5,6]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]HO)(CCH)(O)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]CO)(N[5]C[5]C)(H)	O(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]HO)(CCH)(O){2|C<3>,3|C<4>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]CO)(N[5]C[5]C)(H){1|C<3>,1|N<3>,1|O<1>,7|H<1>}	O(C[5]C[5,5]C[5]C)	112.0350	0.000	1	112.0350	0.000	1	112.0350	0.000	1	112.0350	0.000	1	112.1818	0.134	5	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:1:1:	3:4:4:1:	4:	C[5,6]-4:C[5]-4:H-1:O-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)(O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H)	O(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)(O){3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	O(C[5]C[5,6]C[5]H)	113.3383	1.562	4	113.3383	2.439	4	113.3383	2.439	4	113.3383	2.439	4	111.4912	20.063	10	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:1:1:	4:4:2:1:	4:	C[5,6]-4:C[5]-4:H-1:O-1:	C[5,6]-4:C[5]-4:O[6]-2:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]N[5]H)(H)(O)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(O[6]C[6])(H)	O(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]N[5]H)(H)(O){1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(O[6]C[6])(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[5]C[5,6]C[5]H)	113.1280	0.000	1	113.1280	0.000	1	113.1280	0.000	1	113.1280	0.000	1	111.4912	20.063	10	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-2:O-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CCHH)	O(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(O){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CCHH){2|C<4>,7|H<1>}	O(C[5]C[5,6]C[5]C)	116.2430	0.000	1	116.2430	0.000	1	115.0930	2.645	2	115.0930	2.645	2	111.4912	20.063	10	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:2:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-2:O-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(O){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	O(C[5]C[5,6]C[5]C)	113.9430	0.000	1	113.9430	0.000	1	115.0930	2.645	2	115.0930	2.645	2	111.4912	20.063	10	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:3:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-3:O-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	O(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(O){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	O(C[5]C[5,6]C[5]C)	107.6580	0.000	1	107.6580	0.000	1	107.6580	0.000	1	107.6580	0.000	1	111.4912	20.063	10	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:4:1:	3:4:2:2:	4:	C[5,6]-4:C[5]-4:C-4:O-1:	C[6,6]-3:C[5]-4:O[6]-2:O[5]-2:	C[5]-4:	C[5](C[5,6]C[6,6]O[5]O[6])(C[5]C[5]CC)(CC3)(O)	C[5,6](C[6,6]C[6,6]C[6])(C[5]C[5]CO)(O[6]N[5,6])(O[5]C[5])	O(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6,6]O[5]O[6])(C[5]C[5]CC)(CC3)(O){1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[6,6]C[6,6]C[6])(C[5]C[5]CO)(O[6]N[5,6])(O[5]C[5]){2|C<4>,3|H<1>,4|C<3>}	O(C[5]C[5,6]C[5]C)	101.0030	0.000	1	101.0030	0.000	1	101.0030	0.000	1	101.0030	0.000	1	111.4912	20.063	10	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5]	C[5,6]	O	4:4:4:1:	4:4:3:1:	4:	C[5,6]-4:C[5]-4:C-4:O-1:	C[5,6]-4:C[5]-4:C[6]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CH3)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]O[6]O)(H)	O(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CH3)(O){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	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>}	O(C[5]C[5,6]C[5]C)	109.5840	0.000	1	109.5840	0.000	1	109.5840	0.000	1	109.5840	0.000	1	111.4912	20.063	10	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:1:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-4:H-1:O-1:	C[5]-4:C[5]-4:Br-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(H)(O)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(Br)(H)	O(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrH)(H)(O){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HO)(Br)(H){2|C<3>}	O(C[5]C[5,6a]C[5]H)	110.6063	1.010	3	110.6063	1.021	3	110.6063	1.021	3	110.6063	1.021	3	110.7391	13.099	75	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:1:1:	4:4:3:1:	4:	C[5,6]-3:C[5]-4:H-1:O-1:	C[5,5]-4:C[5]-4:C-3:O-1:	C[5]-4:	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]CO)(H)(O)	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]HO)(CCH)(O)	O(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]CO)(H)(O){1|N<3>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]HO)(CCH)(O){2|C<3>,3|C<4>}	O(C[5]C[5,6]C[5]H)	116.6290	0.000	1	116.6290	0.000	1	116.6290	0.000	1	116.6290	0.000	1	110.7391	13.099	75	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5]	C[5]	O	3:4:3:1:	4:3:2:2:	4:	C[5,6a]-3:C[5]-4:C-3:O-1:	C[5]-4:C[5]-3:O-2:O-2:	C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]OO)(COO)(O)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(OC)2	O(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]OO)(COO)(O){1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(OC)2{2|C<3>}	O(C[5]C[5,6a]C[5]C)	106.6880	0.000	1	106.6880	0.000	1	106.6880	0.000	1	106.6880	0.000	1	110.7391	13.099	75	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5]	C[5]	O	4:2:4:1:	4:4:2:1:	4:	C[5]-4:O[5]-2:C-4:O-1:	C[5,5,6]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5,5,6]HO)(O[5]C[5,6])(CH3)(O)	C[5](C[5,5,6]C[5,6]2C[5])(C[5]O[5]CO)(OC)(H)	O(C[5]C[5]O[5]C)	C[5](C[5]C[5,5,6]HO)(O[5]C[5,6])(CH3)(O){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5,6]C[5,6]2C[5])(C[5]O[5]CO)(OC)(H){2|C<3>,3|C<4>,3|H<1>}	O(C[5]C[5]O[5]C)	111.6480	0.000	1	111.6480	0.000	1	111.6480	0.000	1	111.6480	0.000	1	110.7391	13.099	75	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:1:1:	4:4:1:1:	4:	C[5]-4:N[5]-3:H-1:O-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)(O)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HO)(H)2	O(C[5]C[5]N[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)(O){2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HO)(H)2{1|H<1>,1|S<4>,3|C<3>}	O(C[5]C[5]N[5]H)	112.7660	0.000	1	112.7660	0.000	1	112.7660	0.000	1	112.7660	0.000	1	110.7391	13.099	75	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5]	C[5]	O	4:3:3:1:	4:4:2:1:	4:	C[5]-4:N[5]-3:C-3:O-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCH)(O)	C[5](C[5]C[5]HH)(C[5]N[5]CO)(OC)(H)	O(C[5]C[5]N[5]C)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCH)(O){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CO)(OC)(H){1|C<4>,1|O<1>}	O(C[5]C[5]N[5]C)	110.9080	0.000	1	110.9080	0.000	1	110.9080	0.000	1	110.9080	0.000	1	110.7391	13.099	75	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:O-1:	N[5]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(H)(O)	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H)	O(C[5]C[5]2H)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(H)(O){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	O(C[5]C[5]2H)	113.9850	0.000	1	113.9850	0.000	1	113.9850	0.000	1	112.9790	2.024	2	110.7391	13.099	75	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:1:1:	3:4:2:1:	4:	C[5]-4:C[5]-4:H-1:O-1:	N[6a]-3:C[5]-4:Se[5]-2:H-1:	C[5]-4:	C[5](C[5]N[6a]Se[5]H)(C[5]C[5]HO)(H)(O)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(Se[5]C[5])(H)	O(C[5]C[5]2H)	C[5](C[5]N[6a]Se[5]H)(C[5]C[5]HO)(H)(O){1|C<4>,1|H<1>,2|C<3>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(Se[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	O(C[5]C[5]2H)	111.9730	0.000	1	111.9730	0.000	1	111.9730	0.000	1	112.9790	2.024	2	110.7391	13.099	75	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:1:1:	3:4:4:1:	4:	C[5]-4:C[5]-4:H-1:O-1:	N[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(H)(O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(CHHO)(H)	O(C[5]C[5]2H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(H)(O){1|H<1>,2|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(CHHO)(H){1|O<1>,3|C<4>,3|H<1>}	O(C[5]C[5]2H)	110.8010	1.898	4	110.8010	3.601	4	110.8010	3.601	4	110.8010	3.601	4	110.7391	13.099	75	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:1:1:	4:2:1:1:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:Se[5]-2:H-1:H-1:	C[5]-4:	C[5](C[5]Se[5]HH)(C[5]C[5]HO)(H)(O)	C[5](C[5]C[5]HO)(Se[5]C[5])(H)2	O(C[5]C[5]2H)	C[5](C[5]Se[5]HH)(C[5]C[5]HO)(H)(O){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(Se[5]C[5])(H)2{1|C<4>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)	107.9990	0.000	1	107.9990	0.000	1	107.9990	0.000	1	107.9990	0.000	1	110.7391	13.099	75	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:1:1:	4:2:2:1:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:O[5]-2:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)(O)	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H)	O(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)(O){1|C<3>,1|C<4>}	C[5](C[5]C[5]HO)(O[5]C[5])(OC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(C[5]C[5]2H)	110.0700	0.000	1	110.0700	0.000	1	110.0700	0.000	1	110.0700	0.000	1	110.7391	13.099	75	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:1:1:	4:2:3:2:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:O[5]-2:C-3:N-2:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CN)(H)(O)	C[5](C[5]C[5]HO)(O[5]C[5])(CNO)(NN)	O(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CN)(H)(O){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CNO)(NN){1|C<4>,1|O<1>,2|H<1>}	O(C[5]C[5]2H)	114.4580	2.046	2	114.4580	4.188	2	114.4580	4.188	2	114.4580	4.188	2	110.7391	13.099	75	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)(O)	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H)	O(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)(O){1|O<1>}	C[5](C[5]C[5]HO)(O[5]C[5])(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	O(C[5]C[5]2H)	111.7420	0.000	1	111.7420	0.000	1	111.2334	7.363	12	111.2334	7.363	12	110.7391	13.099	75	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]O[5]CH)(H)(O)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)	C[5](C[5]C[5]FH)(C[5]O[5]CH)(H)(O){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|F<1>,1|N<3>,2|H<1>}	O(C[5]C[5]2H)	112.5900	0.000	1	112.5900	0.000	1	111.2334	7.363	12	111.2334	7.363	12	110.7391	13.099	75	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)(O)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)(O){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	O(C[5]C[5]2H)	110.8087	3.768	6	110.8087	14.196	6	111.2334	7.363	12	111.2334	7.363	12	110.7391	13.099	75	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(O)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(O){1|C<3>,1|N<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	O(C[5]C[5]2H)	110.2800	0.438	2	111.4043	2.240	4	111.2334	7.363	12	111.2334	7.363	12	110.7391	13.099	75	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(O)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(O){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<1>,2|H<1>}	O(C[5]C[5]2H)	113.3860	0.000	1	111.4043	2.240	4	111.2334	7.363	12	111.2334	7.363	12	110.7391	13.099	75	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:1:1:	4:2:4:1:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(O)	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H)	O(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(O){1|H<1>,1|N<3>}	C[5](C[5]C[5]HO)(O[5]C[5])(CHHO)(H){1|N<3>,1|O<2>,2|H<1>}	O(C[5]C[5]2H)	111.6710	0.000	1	111.4043	2.240	4	111.2334	7.363	12	111.2334	7.363	12	110.7391	13.099	75	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:1:1:	4:3:1:1:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)(O)	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2	O(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)(O){1|S<4>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	O(C[5]C[5]2H)	110.5190	0.000	1	110.5190	0.000	1	110.5190	0.000	1	110.5190	0.000	1	110.7391	13.099	75	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:1:1:	4:3:3:1:	4:	C[5,6]-4:C[5]-4:H-1:O-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]N[5]H)(H)(O)	C[5](C[5]C[5,6]HO)(C[6a]C[6a]2)(N[5]C[5,6]C)(H)	O(C[5]C[5,6]C[5]H)	C[5](C[5,6]C[5,6]O[6]H)(C[5]C[6a]N[5]H)(H)(O){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]C[5,6]HO)(C[6a]C[6a]2)(N[5]C[5,6]C)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O(C[5]C[5,6]C[5]H)	108.9740	0.000	1	108.9740	0.000	1	108.9740	0.000	1	108.9740	0.000	1	110.7391	13.099	75	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:1:1:	4:3:4:1:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)(O)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CHHS)(H)	O(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]O[5]CH)(H)(O){1|O<1>}	C[5](C[5]C[5]HO)(C[5]O[5]O)(CHHS)(H){1|C<4>,1|H<1>}	O(C[5]C[5]2H)	108.8050	0.000	1	108.8050	0.000	1	108.8050	0.000	1	108.8050	0.000	1	110.7391	13.099	75	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:1:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:H-1:O-1:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)(O)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(H)(O)	O(C[5]C[5,6]C[5]H)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)(O){3|C<4>,3|H<1>}	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(H)(O){1|H<1>,2|C<4>}	O(C[5]C[5,6]C[5]H)	112.9385	1.611	4	112.9385	2.596	4	112.9385	2.596	4	111.5906	25.501	22	110.7391	13.099	75	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)(O){2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	O(C[5]C[5]2H)	108.4590	0.000	1	108.4590	0.000	1	108.4590	0.000	1	111.5906	25.501	22	110.7391	13.099	75	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5,6]-4:C[5]-4:H-1:O-1:	C[5]-4:	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(H)(O)	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)(O)	O(C[5]C[5]2H)	C[5](C[5]C[5,6]HO)(C[5]N[5,6]CH)(H)(O){1|H<1>,2|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[5]HO)(H)(O){3|C<4>,3|H<1>}	O(C[5]C[5]2H)	108.2193	2.124	4	108.2193	4.512	4	108.2193	4.512	4	111.5906	25.501	22	110.7391	13.099	75	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:C[5]-4:F-1:H-1:	C[5]-4:	C[5](C[5]C[5]FH)(C[5]O[5]CH)(H)(O)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H)	O(C[5]C[5]2H)	C[5](C[5]C[5]FH)(C[5]O[5]CH)(H)(O){1|H<1>,1|N<3>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(F)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5]2H)	114.8310	0.000	1	114.8310	0.000	1	114.8310	0.000	1	111.5906	25.501	22	110.7391	13.099	75	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)(O)	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2	O(C[5]C[5]2H)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(H)(O){1|H<1>,1|N<3>}	C[5](C[5]N[5a]O[5]H)(C[5]C[5]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5]2H)	109.7193	6.986	6	109.7193	48.810	6	109.7193	48.810	6	111.5906	25.501	22	110.7391	13.099	75	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(O)	C[5](C[5]C[5]HO)(C[5]O[5]CN)(H)(O)	O(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(O){1|C<3>,1|N<2>}	C[5](C[5]C[5]HO)(C[5]O[5]CN)(H)(O){1|C<4>,1|H<1>}	O(C[5]C[5]2H)	114.2000	0.160	2	114.2000	0.026	2	114.7928	22.916	6	111.5906	25.501	22	110.7391	13.099	75	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(O)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(H)(O)	O(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(O){1|H<1>,1|N<3>}	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(H)(O){1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5]2H)	121.3800	0.000	1	121.3800	0.000	1	114.7928	22.916	6	111.5906	25.501	22	110.7391	13.099	75	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CN)(H)(O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(O)	O(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CN)(H)(O){1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(O){1|C<3>,1|N<2>}	O(C[5]C[5]2H)	115.7995	3.668	2	115.7995	13.452	2	114.7928	22.916	6	111.5906	25.501	22	110.7391	13.099	75	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:1:1:	4:4:1:1:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(H)(O)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(O)	O(C[5]C[5]2H)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(H)(O){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(O){1|H<1>,1|N<3>}	O(C[5]C[5]2H)	107.3780	0.000	1	107.3780	0.000	1	114.7928	22.916	6	111.5906	25.501	22	110.7391	13.099	75	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:1:1:	4:4:2:1:	4:	C[5,5]-4:C[5]-4:H-1:O-1:	C[5]-4:C[5]-4:O[5]-2:H-1:	C[5]-4:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(H)(O)	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H)	O(C[5]C[5,5]C[5]H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(H)(O){2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]C[5]O[5]H)(C[5]C[5,5]HO)(O[5]C[5,5])(H){1|P<5>,3|O<2>,4|H<1>}	O(C[5]C[5,5]C[5]H)	111.1598	2.471	4	111.1598	6.104	4	111.1598	6.104	4	110.5365	5.558	8	110.7391	13.099	75	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(O)	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]CH)(H)(O){1|H<1>,1|N<3>}	C[5](C[5]N[5]O[5]H)(C[5]C[5]HO)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	O(C[5]C[5]2H)	108.3660	0.000	1	108.3660	0.000	1	109.9133	5.829	4	110.5365	5.558	8	110.7391	13.099	75	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)(O)	C[5](C[5]C[5]HO)(C[5]O[5]CC)(OH)(H)	O(C[5]C[5]2H)	C[5](C[5]C[5]HO)(C[5]O[5]HO)(H)(O){1|C<3>,1|C<4>}	C[5](C[5]C[5]HO)(C[5]O[5]CC)(OH)(H){1|H<1>,1|O<2>}	O(C[5]C[5]2H)	107.7530	0.000	1	107.7530	0.000	1	109.9133	5.829	4	110.5365	5.558	8	110.7391	13.099	75	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]N[6a]Se[5]H)(C[5]C[5]HO)(H)(O)	C[5](C[5]Se[5]CH)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)	C[5](C[5]N[6a]Se[5]H)(C[5]C[5]HO)(H)(O){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]Se[5]CH)(C[5]C[5]HO)(OH)(H){1|H<1>,1|N<3>}	O(C[5]C[5]2H)	113.1000	0.000	1	113.1000	0.000	1	109.9133	5.829	4	110.5365	5.558	8	110.7391	13.099	75	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:1:1:	4:4:2:1:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:	C[5](C[5]Se[5]HH)(C[5]C[5]HO)(H)(O)	C[5](C[5]Se[5]CH)(C[5]C[5]HO)(OH)(H)	O(C[5]C[5]2H)	C[5](C[5]Se[5]HH)(C[5]C[5]HO)(H)(O){1|C<4>,1|H<1>}	C[5](C[5]Se[5]CH)(C[5]C[5]HO)(OH)(H){2|H<1>}	O(C[5]C[5]2H)	110.4340	0.000	1	110.4340	0.000	1	109.9133	5.829	4	110.5365	5.558	8	110.7391	13.099	75	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:1:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)(O)	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CC[6a]C)(H)	O(C[5]C[5]2H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(H)(O){1|S<4>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]HH)(CC[6a]C)(H){1|S<4>,2|H<1>}	O(C[5]C[5]2H)	108.8570	0.000	1	108.8570	0.000	1	108.8570	0.000	1	108.8570	0.000	1	110.7391	13.099	75	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:1:1:	4:4:4:1:	4:	C[5]-4:C[5]-4:H-1:O-1:	C[5,6]-4:C[5]-4:C-4:O-1:	C[5]-4:	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CH3)(O)	O(C[5]C[5]2H)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)(O){2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CH3)(O){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	O(C[5]C[5]2H)	111.0680	0.000	1	111.0680	0.000	1	111.0680	0.000	1	111.0680	0.000	1	110.7391	13.099	75	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:2:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-2:O-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(O)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	O(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)(O){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	O(C[5]C[5,6]C[5]C)	110.3665	3.139	2	110.3665	9.852	2	110.3665	9.852	2	110.3665	9.852	2	110.7391	13.099	75	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:3:1:	3:4:1:1:	4:	C[5,5]-4:C[5]-4:C-3:O-1:	C[5,6]-3:C[5]-4:H-1:O-1:	C[5]-4:	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]HO)(CCH)(O)	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]CO)(H)(O)	O(C[5]C[5,5]C[5]C)	C[5](C[5,5]C[5,5,6]N[5]H)(C[5]C[5,6]HO)(CCH)(O){2|C<3>,3|C<4>}	C[5](C[5,6]C[5,5,6]C[6])(C[5]C[5,5]CO)(H)(O){1|N<3>,2|H<1>,3|C<4>}	O(C[5]C[5,5]C[5]C)	106.3090	0.000	1	106.3090	0.000	1	106.3090	0.000	1	106.3090	0.000	1	110.7391	13.099	75	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:3:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-3:O-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(O)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2	O(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)(O){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)2{1|H<1>,3|C<4>}	O(C[5]C[5,6]C[5]C)	111.2310	0.000	1	111.2310	0.000	1	111.2310	0.000	1	111.2310	0.000	1	110.7391	13.099	75	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:4:1:	3:4:3:1:	4:	C[5]-4:C[5]-4:C-4:O-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(CC3)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]CO)(N[5]C[5]C)(H)	O(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(CC3)(O){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CO)(N[5]C[5]C)(H){2|C<3>,2|C<4>,4|H<1>}	O(C[5]C[5]2C)	104.9040	0.000	1	104.9040	0.000	1	104.9040	0.000	1	104.9040	0.000	1	110.7391	13.099	75	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:4:1:	4:4:1:1:	4:	C[5,6]-4:C[5]-4:C-4:O-1:	C[5]-4:C[5]-4:H-1:O-1:	C[5]-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CH3)(O)	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)(O)	O(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HO)(CH3)(O){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(H)(O){2|C<3>,2|H<1>}	O(C[5]C[5,6]C[5]C)	106.1380	0.000	1	106.1380	0.000	1	106.1380	0.000	1	106.1380	0.000	1	110.7391	13.099	75	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:4:1:	4:4:3:1:	4:	C[5]-4:C[5]-4:C-4:O-1:	C[5]-4:C[5]-4:C-3:H-1:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(O)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6,6]C)(H)	O(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(O){2|H<1>,2|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CC[6,6]C)(H){1|H<1>,1|O<2>,2|C<4>}	O(C[5]C[5]2C)	109.5560	0.000	1	109.5560	0.000	1	109.5560	0.000	1	109.5560	0.000	1	110.7391	13.099	75	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:4:1:	4:4:4:4:	4:	C[5,6]-4:C[5]-4:C-4:O-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5,6]C[6,6]O[5]O[6])(C[5]C[5]CC)(CC3)(O)	C[5](C[5]C[5,6]CO)(C[5]O[5]HH)(CH3)2	O(C[5]C[5,6]C[5]C)	C[5](C[5,6]C[6,6]O[5]O[6])(C[5]C[5]CC)(CC3)(O){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]CO)(C[5]O[5]HH)(CH3)2{1|C<3>,1|O<2>}	O(C[5]C[5,6]C[5]C)	105.1040	0.000	1	105.1040	0.000	1	105.1040	0.000	1	105.8827	2.961	3	110.7391	13.099	75	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:4:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:C-4:O-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(O)	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CH3)2	O(C[5]C[5]2C)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(CCHO)(O){2|H<1>,2|O<2>}	C[5](C[5]C[5]CO)(C[5]C[5]HO)(CH3)2{1|C<3>,1|O<2>,2|H<1>}	O(C[5]C[5]2C)	104.6890	0.000	1	104.6890	0.000	1	106.2720	5.012	2	105.8827	2.961	3	110.7391	13.099	75	110.9585	11.879	112
474	474	863	0:SP3_SP2_SP3	C[5]	C[5]	O	4:4:4:1:	4:4:4:4:	4:	C[5]-4:C[5]-4:C-4:O-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(CC3)(O)	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CH3)2	O(C[5]C[5]2C)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(CC3)(O){2|H<1>,3|C<3>}	C[5](C[5]C[5]CO)(C[5]N[5]HH)(CH3)2{1|H<1>,2|C<3>}	O(C[5]C[5]2C)	107.8550	0.000	1	107.8550	0.000	1	106.2720	5.012	2	105.8827	2.961	3	110.7391	13.099	75	110.9585	11.879	112
474	474	871	0:SP3_SP3_SP3	C[5]	C[5,5]	O	4:4:4:3:	4:4:4:1:	4:2:1:	C[5,5]-4:C[5]-4:C-4:O-3:	C[5,5]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:H-2:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CH3)(OHH)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]C[5]HH)(H)	O(C[5]C[5,5]C[5]C)(HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CH3)(OHH){2|C<4>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(C[5]C[5]HH)(H){1|C<4>,1|O<3>,6|H<1>}	O(C[5]C[5,5]C[5]C)(HH)(H)	109.0470	1.346	2	109.0470	1.813	2	109.0470	1.813	2	109.0470	1.813	2	109.0470	1.813	2	108.9205	0.633	4
474	474	871	0:SP3_SP3_SP3	C[5]	C[5]	O	4:4:4:3:	4:4:1:1:	4:2:1:	C[5,5]-4:C[5]-4:C-4:O-3:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:H-2:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CH3)(OHH)	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(H)2	O(C[5]C[5,5]C[5]C)(HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CH3)(OHH){2|C<4>,5|H<1>}	C[5](C[5]C[5,5]CO)(C[5]C[5,5]HH)(H)2{2|C<4>,2|H<1>}	O(C[5]C[5,5]C[5]C)(HH)(H)	108.7940	0.153	2	108.7940	0.023	2	108.7940	0.023	2	108.7940	0.023	2	108.7940	0.023	2	108.9205	0.633	4
474	474	872	5:SP3_SP3_SP3	C[5]	C[5]	Si[3,5]	4:4:4:4:	4:4:1:1:	3:3:4:4:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	Si[3]-3:Si[3]-3:C[5]-4:C[5]-4:	C[5](Si[3,5]Si[3]2C[5])(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2	Si[3,5](Si[3]Si[3]Si)2(C[5]C[5]Si2)2	C[5](Si[3,5]Si[3]2C[5])(C[5]C[5]HH)(SiC3)2{4|Si<4>,2|H<1>}	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2{2|Si<3>,2|Si<4>}	Si[3,5](Si[3]Si[3]Si)2(C[5]C[5]Si2)2{4|H<1>}	101.6900	0.748	2	101.6900	0.560	2	101.6900	0.560	2	101.6900	0.560	2	99.7573	1.699	28	99.7573	1.699	28
474	474	872	5:SP3_SP3_SP3	C[5]	C[5]	Si[3,5]	4:4:4:4:	4:4:1:1:	3:4:4:4:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	N[3,5]-3:C[3,5]-4:C[5]-4:C[5]-4:	C[5](Si[3,5]C[3,5]N[3,5]C[5])(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2	Si[3,5](N[3,5]C[5,6a]C[3,5])(C[3,5]N[3,5]C[5]Si)(C[5]C[5]Si2)2	C[5](Si[3,5]C[3,5]N[3,5]C[5])(C[5]C[5]HH)(SiC3)2{3|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<4>,1|N<3>}	Si[3,5](N[3,5]C[5,6a]C[3,5])(C[3,5]N[3,5]C[5]Si)(C[5]C[5]Si2)2{2|C<3>,6|H<1>}	98.9868	1.618	4	98.9868	2.619	4	98.9868	2.619	4	98.9868	2.619	4	99.7573	1.699	28	99.7573	1.699	28
474	474	872	5:SP3_SP3_SP3	C[5]	C[5]	Si[3,5]	4:4:4:4:	4:4:1:1:	4:2:4:4:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,6,6]-4:O[3]-2:C[5]-4:C[5]-4:	C[5](Si[3,5]C[3,6,6]C[5]O[3])(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2	Si[3,5](C[3,6,6]C[3x6]2O[3])(O[3]C[3,6,6])(C[5]C[5]Si2)2	C[5](Si[3,5]C[3,6,6]C[5]O[3])(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|C<4>,2|H<1>}	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<4>,1|O<2>}	Si[3,5](C[3,6,6]C[3x6]2O[3])(O[3]C[3,6,6])(C[5]C[5]Si2)2{4|C<4>,6|H<1>}	100.1114	1.636	2	100.1114	2.675	2	100.1114	2.675	2	100.1114	2.675	2	99.7573	1.699	28	99.7573	1.699	28
474	474	872	5:SP3_SP3_SP3	C[5]	C[5]	Si[3,5]	4:4:4:4:	4:4:1:1:	4:3:4:4:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[3,6]-4:N[3,6]-3:C[5]-4:C[5]-4:	C[5](Si[3,5]C[3,6]N[3,6]C[5])(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2	Si[3,5](C[3,6]C[3,6]N[3,6]H)(N[3,6]C[6,6a]C[3,6])(C[5]C[5]Si2)2	C[5](Si[3,5]C[3,6]N[3,6]C[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<4>,1|N<3>}	Si[3,5](C[3,6]C[3,6]N[3,6]H)(N[3,6]C[6,6a]C[3,6])(C[5]C[5]Si2)2{1|Si<4>,1|N<3>,2|C<3>,5|H<1>}	100.5126	1.590	4	100.5126	2.529	4	100.5126	2.529	4	100.0999	1.165	10	99.7573	1.699	28	99.7573	1.699	28
474	474	872	5:SP3_SP3_SP3	C[5]	C[5]	Si[3,5]	4:4:4:4:	4:4:1:1:	4:3:4:4:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[3]-4:N[3]-3:C[5]-4:C[5]-4:	C[5](Si[3,5]C[3]C[5]N[3])(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2	Si[3,5](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[5]C[5]Si2)2	C[5](Si[3,5]C[3]C[5]N[3])(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|C<3>,3|H<1>}	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<4>,1|N<3>}	Si[3,5](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(C[5]C[5]Si2)2{4|C<3>,4|H<1>}	99.8248	0.594	6	99.8248	0.353	6	99.8248	0.353	6	100.0999	1.165	10	99.7573	1.699	28	99.7573	1.699	28
474	474	872	5:SP3_SP3_SP3	C[5]	C[5]	Si[3,5]	4:4:4:4:	4:4:1:1:	4:4:4:3:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	Si[3]-4:C[5]-4:C[5]-4:C[3]-3:	C[5](Si[3,5]Si[3]C[3]C[5])(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2	Si[3,5](Si[3]C[6a]C[3]C)(C[5]C[5]Si2)2(C[3]Si[3]N)	C[5](Si[3,5]Si[3]C[3]C[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2{3|Si<4>,1|C<3>}	Si[3,5](Si[3]C[6a]C[3]C)(C[5]C[5]Si2)2(C[3]Si[3]N){2|C<3>,4|H<1>}	99.1350	1.048	8	99.1350	1.097	8	99.1350	1.097	8	99.1350	1.097	8	99.7573	1.699	28	99.7573	1.699	28
474	474	872	5:SP3_SP3_SP3	C[5]	C[5]	Si[3,5]	4:4:4:4:	4:4:1:1:	4:4:4:4:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[3]-4:C[3]-4:	C[5](Si[3,5]C[3]2C[5])(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2	Si[3,5](C[5]C[5]Si2)2(C[3]C[3]CH)2	C[5](Si[3,5]C[3]2C[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|C<3>,4|H<1>}	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,2|C<4>}	Si[3,5](C[5]C[5]Si2)2(C[3]C[3]CH)2{4|H<1>}	99.7872	1.497	2	99.7872	2.242	2	99.7872	2.242	2	99.7872	2.242	2	99.7573	1.699	28	99.7573	1.699	28
474	474	874	0:SP3_SP3_SP3	C[5,6,6]	C[5,5,6]	B[6]	4:4:4:1:	4:4:4:1:	4:3:3:2:	C[5,5,6]-4:C[5,6,6]-4:B[6]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6a]-3:C[6a]-3:O[6]-2:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]P[6]H)(B[6]C[6a]2O[6])(H)	C[5,5,6](C[5,6,6]C[5,6,6]B[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	B[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]2)2(O[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]P[6]H)(B[6]C[6a]2O[6])(H){2|C<4>,5|H<1>,6|C<3>}	C[5,5,6](C[5,6,6]C[5,6,6]B[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|O<2>,1|P<4>,2|C<3>,4|H<1>}	B[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]2)2(O[6]C[6]){1|P<4>,3|C<4>,3|H<1>,4|F<1>,5|C<3>}	122.6860	0.000	1	122.6860	0.000	1	122.6860	0.000	1	122.6860	0.000	1	119.6375	18.587	2	119.5623	9.310	3
474	474	874	0:SP3_SP3_SP3	C[5,6,6]	C[5,5,6]	B[6]	4:4:4:1:	4:4:4:1:	4:3:3:4:	C[5,5,6]-4:C[5,6,6]-4:B[6]-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6,6]-4:C[6a]-3:C[6a]-3:C[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]P[6]H)(B[6]C[6a]2C[6])(H)	C[5,5,6](C[5,6,6]C[5,6,6]B[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	B[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]2)2(C[6]C[6]HH)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]P[6]H)(B[6]C[6a]2C[6])(H){2|C<4>,6|C<3>,7|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]B[6]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){1|C<4>,1|P<4>,2|C<3>,4|H<1>}	B[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]2)2(C[6]C[6]HH){1|P<4>,3|C<4>,4|C<3>,4|F<1>,4|H<1>}	116.5890	0.000	1	116.5890	0.000	1	116.5890	0.000	1	116.5890	0.000	1	119.6375	18.587	2	119.5623	9.310	3
474	474	874	0:SP3_SP3_SP3	C[5,6]	C[5,6]	B[6]	4:4:4:1:	4:4:3:1:	4:3:3:4:	C[5,6]-4:B[6]-4:C[5,6]-4:H-1:	C[5,6]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[5,6](C[5,6]C[5]P[6]H)(B[6]C[6a]2C[6])(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5,6]B[6]H)(C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(H)	B[6](C[5,6]C[5,6]2H)(C[6a]C[6a]2)2(C[6]C[6]HH)	C[5,6](C[5,6]C[5]P[6]H)(B[6]C[6a]2C[6])(C[5,6]C[5,6]2H)(H){2|C<4>,4|H<1>,8|C<3>}	C[5,6](C[5,6]C[5,6]B[6]H)(C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6])(H){1|P<4>,3|H<1>,4|C<3>,4|C<4>}	B[6](C[5,6]C[5,6]2H)(C[6a]C[6a]2)2(C[6]C[6]HH){1|C<4>,1|P<4>,4|F<1>,4|H<1>,6|C<3>}	119.4120	0.000	1	119.4120	0.000	1	119.4120	0.000	1	119.4120	0.000	1	119.4120	0.000	1	119.5623	9.310	3
474	474	874	6:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	B[6]	4:4:4:1:	4:4:4:1:	4:3:3:2:	C[5,5,6]-4:C[5,6,6]-4:B[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:P[6]-4:H-1:	C[5,6,6]-4:C[6a]-3:C[6a]-3:O[6]-2:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]P[6]H)(B[6]C[6a]2O[6])(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]B[6]H)(P[6]C[6a]2C[6])(H)	B[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]2)2(O[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]P[6]H)(B[6]C[6a]2O[6])(H){2|C<4>,5|H<1>,6|C<3>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]B[6]H)(P[6]C[6a]2C[6])(H){1|C<4>,1|O<2>,6|H<1>,7|C<3>}	B[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]2)2(O[6]C[6]){1|P<4>,3|C<4>,3|H<1>,4|F<1>,5|C<3>}	107.7370	0.000	1	107.7370	0.000	1	107.7370	0.000	1	107.7370	0.000	1	114.1585	82.471	2	115.5040	46.667	3
474	474	874	6:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	B[6]	4:4:4:1:	4:4:4:1:	4:3:3:4:	C[5,5,6]-4:C[5,6,6]-4:B[6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:P[6]-4:H-1:	C[5,6,6]-4:C[6a]-3:C[6a]-3:C[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]P[6]H)(B[6]C[6a]2C[6])(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]B[6]H)(P[6]C[6a]2C[6])(H)	B[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]2)2(C[6]C[6]HH)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]P[6]H)(B[6]C[6a]2C[6])(H){2|C<4>,6|C<3>,7|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]B[6]H)(P[6]C[6a]2C[6])(H){2|C<4>,6|C<3>,7|H<1>}	B[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]2)2(C[6]C[6]HH){1|P<4>,3|C<4>,4|C<3>,4|F<1>,4|H<1>}	120.5800	0.000	1	120.5800	0.000	1	120.5800	0.000	1	120.5800	0.000	1	114.1585	82.471	2	115.5040	46.667	3
474	474	874	6:SP3_SP3_SP3	C[5,6]	C[5,6]	B[6]	4:4:4:1:	4:4:3:1:	4:3:3:4:	C[5,6]-4:B[6]-4:C[5,6]-4:H-1:	C[5,6]-4:P[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6a]-3:C[6]-4:	C[5,6](C[5,6]C[5]P[6]H)(B[6]C[6a]2C[6])(C[5,6]C[5,6]2H)(H)	C[5,6](C[5,6]C[5,6]B[6]H)(P[6]C[6a]2C[6])(C[5]C[5,6]H)(H)	B[6](C[5,6]C[5,6]2H)(C[6a]C[6a]2)2(C[6]C[6]HH)	C[5,6](C[5,6]C[5]P[6]H)(B[6]C[6a]2C[6])(C[5,6]C[5,6]2H)(H){2|C<4>,4|H<1>,8|C<3>}	C[5,6](C[5,6]C[5,6]B[6]H)(P[6]C[6a]2C[6])(C[5]C[5,6]H)(H){3|C<4>,3|H<1>,6|C<3>}	B[6](C[5,6]C[5,6]2H)(C[6a]C[6a]2)2(C[6]C[6]HH){1|C<4>,1|P<4>,4|F<1>,4|H<1>,6|C<3>}	118.1950	0.000	1	118.1950	0.000	1	118.1950	0.000	1	118.1950	0.000	1	118.1950	0.000	1	115.5040	46.667	3
474	474	880	0:SP3_SP3_SP3	C[5,5,6,6]	C[5,5,6,6]	Si	4:4:3:4:	4:4:3:1:	4:4:4:4:	C[3,5,6,6]-4:C[5,5,6,6]-4:C[5,6]-3:Si-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-4:C-4:C-4:	C[5,5,6,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]Si)(C[5,5,6,6]C[5,5,6,6]C[6,6]H)(C[5,6]C[5,6]C[6a])(SiC3)	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)	Si(C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]C[5,6])(CH3)3	C[5,5,6,6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]Si)(C[5,5,6,6]C[5,5,6,6]C[6,6]H)(C[5,6]C[5,6]C[6a])(SiC3){1|Si<4>,3|C<3>,4|H<1>}	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>}	Si(C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]C[5,6])(CH3)3	112.0070	0.000	1	112.0070	0.000	1	112.0070	0.000	1	112.0070	0.000	1	112.0070	0.000	1	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5,5,6]	C[5,5,6]	Si	3:4:2:4:	4:4:3:1:	4:4:4:4:	C[5,6,6a]-3:C[5,5,6]-4:O[5,5]-2:Si-4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:H-1:	C[5,5,6]-4:C-4:C-4:C-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(SiC3)	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]Si)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H)	Si(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])(CC3)(CH3)2	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(SiC3){1|Si<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]Si)(C[5,5,6]C[5,5,6]C[5]H)(C[5]N[5]O)(H){1|Si<4>,1|C<4>,1|O<1>,2|C<3>}	Si(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])(CC3)(CH3)2	116.8635	0.162	2	116.8635	0.026	2	116.8635	0.026	2	116.8635	0.026	2	116.8635	0.026	2	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5,5,6]	C[5,5]	Si	4:4:3:4:	4:4:3:2:	4:4:4:4:	C[5,5]-4:Ga[5,6]-4:Ga[5,6]-3:Si-4:	C[5,5,6]-4:Ga[5,5,6]-4:C-3:C-2:	C[5,5,6]-4:C-4:C-4:C-4:	C[5,5,6](C[5,5]Ga[5,5,6]CC)(Ga[5,6]I[5,6]II)(Ga[5,6]I[5,6]I)(SiC3)	C[5,5](C[5,5,6]Ga[5,6]2Si)(Ga[5,5,6]I[5,6]2I)(CCC)(CC)	Si(C[5,5,6]Ga[5,6]2C[5,5])(CH3)3	C[5,5,6](C[5,5]Ga[5,5,6]CC)(Ga[5,6]I[5,6]II)(Ga[5,6]I[5,6]I)(SiC3){1|I<1>}	C[5,5](C[5,5,6]Ga[5,6]2Si)(Ga[5,5,6]I[5,6]2I)(CCC)(CC){3|I<1>}	Si(C[5,5,6]Ga[5,6]2C[5,5])(CH3)3	116.4000	0.000	2	116.4000	0.000	2	116.4000	0.000	2	116.4000	0.000	2	116.4000	0.000	2	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5,5,6]	C[5,6]	Si	3:3:4:4:	4:4:1:1:	4:4:4:4:	B[5,5]-3:C[5,6]-3:C[5,6]-4:Si-4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C-4:C-4:C-4:	C[5,5,6](B[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]C[6a])(C[5,6]C[5,6]HH)(SiC3)	C[5,6](C[5,5,6]B[5,5]C[5,6]Si)(C[5,6]C[5,5,6]HH)(H)2	Si(C[5,5,6]B[5,5]C[5,6]2)(CH3)3	C[5,5,6](B[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]C[6a])(C[5,6]C[5,6]HH)(SiC3){1|Si<4>,1|B<3>,2|H<1>,4|C<3>}	C[5,6](C[5,5,6]B[5,5]C[5,6]Si)(C[5,6]C[5,5,6]HH)(H)2{1|Si<4>,3|C<3>}	Si(C[5,5,6]B[5,5]C[5,6]2)(CH3)3	112.3110	0.000	1	112.3110	0.000	1	112.3110	0.000	1	112.3110	0.000	1	111.9319	0.157	7	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5,5,6]	C[5,6]	Si	3:4:3:4:	4:4:1:1:	4:4:4:4:	B[5,5]-3:C[5,6]-4:C[5,6]-3:Si-4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C-4:C-4:C-4:	C[5,5,6](B[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]HH)(C[5,6]C[5,6]B)(SiC3)	C[5,6](C[5,5,6]B[5,5]C[5,6]Si)(C[5,6]C[5,5,6]HH)(H)2	Si(C[5,5,6]B[5,5]C[5,6]2)(CH3)3	C[5,5,6](B[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]HH)(C[5,6]C[5,6]B)(SiC3){1|Si<4>,2|H<1>,3|C<3>}	C[5,6](C[5,5,6]B[5,5]C[5,6]Si)(C[5,6]C[5,5,6]HH)(H)2{1|Si<4>,1|B<3>,2|C<3>}	Si(C[5,5,6]B[5,5]C[5,6]2)(CH3)3	111.3980	0.000	1	111.3980	0.000	1	111.3980	0.000	1	111.8687	0.155	6	111.9319	0.157	7	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5,5,6]	C[5,6]	Si	3:4:3:4:	4:4:1:1:	4:4:4:4:	N[5,5]-3:C[5,6]-4:C[5,6]-3:Si-4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C-4:C-4:C-4:	C[5,5,6](N[5,5]C[5,5,6]N)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(SiC3)	C[5,6](C[5,5,6]C[5,6]N[5,5]Si)(C[5,6]C[5,5,6]HH)(H)2	Si(C[5,5,6]C[5,6]2N[5,5])(CH3)3	C[5,5,6](N[5,5]C[5,5,6]N)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(SiC3){1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]Si)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>}	Si(C[5,5,6]C[5,6]2N[5,5])(CH3)3	111.7020	0.000	3	111.9628	0.128	5	111.9628	0.128	5	111.8687	0.155	6	111.9319	0.157	7	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5,5,6]	C[5,6]	Si	3:4:3:4:	4:4:1:1:	4:4:4:4:	N[5,5]-3:C[5,6]-4:C[5,6]-3:Si-4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,5,6]-4:C-4:C-4:C-4:	C[5,5,6](N[5,5]C[5,5,6]N)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(SiC3)	C[5,6](C[5,5,6]C[5,6]N[5,5]Si)(C[5,6]C[5,5,6]HH)(H)2	Si(C[5,5,6]C[5,6]2N[5,5])(CH3)3	C[5,5,6](N[5,5]C[5,5,6]N)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(SiC3){5|H<1>}	C[5,6](C[5,5,6]C[5,6]N[5,5]Si)(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	Si(C[5,5,6]C[5,6]2N[5,5])(CH3)3	112.3540	0.000	2	111.9628	0.128	5	111.9628	0.128	5	111.8687	0.155	6	111.9319	0.157	7	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5,5]	C[3x5]	Si	3:3:4:4:	4:4:4:1:	4:4:4:4:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:Si-4:	C[5,5]-4:C[5,5]-4:C[5,5]-4:H-1:	C[5,5]-4:C-4:C-4:C-4:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(SiC3)	C[3x5](C[5,5]C[5,6a]2Si)3(H)	Si(C[5,5]C[5,6a]2C[3x5])(CH3)3	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(SiC3){2|Si<4>,2|H<1>,6|C<3>}	C[3x5](C[5,5]C[5,6a]2Si)3(H){6|C<3>}	Si(C[5,5]C[5,6a]2C[3x5])(CH3)3	114.3657	0.007	3	114.3657	0.000	3	114.3657	0.000	3	114.3657	0.000	3	114.3657	0.000	3	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	Si	4:4:4:1:	3:4:4:1:	4:3:4:4:	C[5,5,6]-4:C[5,5,6]-4:Si-4:H-1:	N[5,5a,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:C[6a]-3:C-4:C-4:	C[5,5](C[5,5,6]N[5,5a,6]C[5,6]H)2(SiC[6a]CC)(H)	C[5,5,6](N[5,5a,6]N[5,5a,6]C[5a])(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]HH)(H)	Si(C[5,5]C[5,5,6]2H)(C[6a]C[6a]2)(CH3)2	C[5,5](C[5,5,6]N[5,5a,6]C[5,6]H)2(SiC[6a]CC)(H){1|O<2>,2|C<3>,3|H<1>}	C[5,5,6](N[5,5a,6]N[5,5a,6]C[5a])(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	Si(C[5,5]C[5,5,6]2H)(C[6a]C[6a]2)(CH3)2	121.7510	0.000	1	121.7510	0.000	1	121.3470	0.326	2	121.3470	0.326	2	119.6904	4.073	10	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	Si	4:4:4:1:	3:4:4:1:	4:3:4:4:	C[5,5,6]-4:C[5,5,6]-4:Si-4:H-1:	N[5,5a,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:C[6a]-3:C-4:C-4:	C[5,5](C[5,5,6]N[5,5a,6]C[5,6]H)2(SiC[6a]CC)(H)	C[5,5,6](N[5,5a,6]N[5,5a,6]C[5a])(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]HO)(H)	Si(C[5,5]C[5,5,6]2H)(C[6a]C[6a]2)(CH3)2	C[5,5](C[5,5,6]N[5,5a,6]C[5,6]H)2(SiC[6a]CC)(H){1|O<2>,2|C<3>,3|H<1>}	C[5,5,6](N[5,5a,6]N[5,5a,6]C[5a])(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]HO)(H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	Si(C[5,5]C[5,5,6]2H)(C[6a]C[6a]2)(CH3)2	120.9430	0.000	1	120.9430	0.000	1	121.3470	0.326	2	121.3470	0.326	2	119.6904	4.073	10	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	Si	4:4:4:1:	4:4:3:1:	4:3:4:4:	C[5,5,6]-4:C[5,5,6]-4:Si-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:C[6a]-3:C-4:C-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(SiC[6a]CC)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]H)(H)	Si(C[5,5]C[5,5,6]2H)(C[6a]C[6a]2)(CH3)2	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(SiC[6a]CC)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	Si(C[5,5]C[5,5,6]2H)(C[6a]C[6a]2)(CH3)2	118.7720	0.000	1	118.4345	0.228	2	118.4345	0.228	2	118.4345	0.228	2	119.6904	4.073	10	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	Si	4:4:4:1:	4:4:3:1:	4:3:4:4:	C[5,5,6]-4:C[5,5,6]-4:Si-4:H-1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:C[6a]-3:C-4:C-4:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(SiC[6a]CC)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]H)(H)	Si(C[5,5]C[5,5,6]2H)(C[6a]C[6a]2)(CH3)2	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(SiC[6a]CC)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]H)(H){1|C<3>,1|C<4>,5|H<1>}	Si(C[5,5]C[5,5,6]2H)(C[6a]C[6a]2)(CH3)2	118.0970	0.000	1	118.4345	0.228	2	118.4345	0.228	2	118.4345	0.228	2	119.6904	4.073	10	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	Si	4:4:4:1:	4:4:3:1:	4:4:4:4:	C[5,5,6]-4:C[5,5,6]-4:Si-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:H-1:	C[5,5]-4:C-4:C-4:C-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(SiC3)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]H)(H)	Si(C[5,5]C[5,5,6]2H)(CH3)3	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(SiC3)(H){2|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	Si(C[5,5]C[5,5,6]2H)(CH3)3	119.1625	4.352	2	119.1625	18.942	2	119.1625	18.942	2	118.9220	6.391	4	119.6904	4.073	10	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	Si	4:4:4:1:	4:4:3:1:	4:4:4:4:	C[5,5,6]-4:C[5,5,6]-4:Si-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C-4:C-4:C-4:	C[5,5](C[5,5,6]C[5,6]2H)2(SiC3)(H)	C[5,5,6](C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H)	Si(C[5,5]C[5,5,6]2H)(CH3)3	C[5,5](C[5,5,6]C[5,6]2H)2(SiC3)(H){1|Si<4>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(H){1|Si<4>,1|C<3>,2|H<1>}	Si(C[5,5]C[5,5,6]2H)(CH3)3	118.6580	0.000	1	118.6580	0.000	1	118.6815	0.001	2	118.9220	6.391	4	119.6904	4.073	10	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	Si	4:4:4:1:	4:4:3:1:	4:4:4:4:	C[5,5,6]-4:C[5,5,6]-4:Si-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C-4:C-4:C-4:	C[5,5](C[5,5,6]C[5,6]2H)2(SiC3)(H)	C[5,5,6](C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]Si)(H)	Si(C[5,5]C[5,5,6]2H)(CH3)3	C[5,5](C[5,5,6]C[5,6]2H)2(SiC3)(H){1|Si<4>,2|C<3>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]Si)(H){1|C<3>,3|H<1>}	Si(C[5,5]C[5,5,6]2H)(CH3)3	118.7050	0.000	1	118.7050	0.000	1	118.6815	0.001	2	118.9220	6.391	4	119.6904	4.073	10	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	Si	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,5,6]-4:C[5,5,6]-4:Si-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:C-4:C-4:C-4:	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(SiC3)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]HH)(H)	Si(C[5,5]C[5,5,6]2H)(CH3)3	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(SiC3)(H){2|C<3>,6|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]SiH)(C[5,6]C[5,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	Si(C[5,5]C[5,5,6]2H)(CH3)3	120.8265	1.829	2	120.8265	3.346	2	120.8265	3.346	2	120.8265	3.346	2	119.6904	4.073	10	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5,5]	C[5,5]	Si	4:4:4:4:	4:2:2:1:	4:4:4:4:	C[5,5]-4:C[5]-4:C[5]-4:Si-4:	C[5,5]-4:O[5]-2:O[5]-2:H-1:	C[5,5]-4:C-4:C-4:C-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)2(SiC3)	C[5,5](C[5,5]C[5]2Si)(O[5]C[5])2(H)	Si(C[5,5]C[5,5]C[5]2)(CCCH)3	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)2(SiC3){2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]2Si)(O[5]C[5])2(H){2|C<3>,6|H<1>}	Si(C[5,5]C[5,5]C[5]2)(CCCH)3	114.2968	0.225	4	114.2968	0.051	4	114.2968	0.051	4	114.2968	0.051	4	114.2968	0.051	4	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5,5]	C[5]	Si	4:4:3:4:	4:4:1:1:	4:4:4:4:	Si[5,5]-4:C[5]-4:C[5]-3:Si-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C-4:C-4:C-4:	C[5,5](Si[5,5]C[5]N[5]Si)(C[5]C[5]HH)(C[5]N[5]Si)(SiC3)	C[5](C[5,5]Si[5,5]C[5]Si)(C[5]C[5]HH)(H)2	Si(C[5,5]Si[5,5]C[5]2)(CH3)3	C[5,5](Si[5,5]C[5]N[5]Si)(C[5]C[5]HH)(C[5]N[5]Si)(SiC3){2|Si<4>,3|H<1>}	C[5](C[5,5]Si[5,5]C[5]Si)(C[5]C[5]HH)(H)2{4|Si<4>,1|N<2>,1|N<3>}	Si(C[5,5]Si[5,5]C[5]2)(CH3)3	113.9110	0.000	1	113.9110	0.000	1	113.9110	0.000	1	113.9110	0.000	1	113.3152	1.419	9	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5,5]	C[5]	Si	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[5,5]-4:C[5]-4:C[5]-4:Si-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5,5]-4:C-4:C-4:C-4:	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)2(SiC3)	C[5](C[5,5]C[5,5]C[5]Si)(C[5]C[6a]O[5]H)(H)2	Si(C[5,5]C[5,5]C[5]2)(CCCH)3	C[5,5](C[5,5]O[5]2H)(C[5]C[5]HH)2(SiC3){2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]Si)(C[5]C[6a]O[5]H)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	Si(C[5,5]C[5,5]C[5]2)(CCCH)3	113.2408	1.251	8	113.2408	1.565	8	113.2408	1.565	8	113.2408	1.565	8	113.3152	1.419	9	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5,6]	C[5,3x6]	Si	4:3:4:1:	3:3:4:3:	4:4:4:4:	C[5,3x6]-4:P[3,5,6]-3:Si-4:H-1:	C[6,6,6a]-3:P[5,6,6]-3:C[5,6]-4:C[6]-3:	C[5,6]-4:C-4:C-4:C-4:	C[5,6](C[5,3x6]C[6,6,6a]P[5,6,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(SiC3)(H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(P[5,6,6]P[3,5,6]C[6])(C[5,6]P[3,5,6]SiH)(C[6]C[6]H)	Si(C[5,6]C[5,3x6]P[3,5,6]H)(CH3)3	C[5,6](C[5,3x6]C[6,6,6a]P[5,6,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(SiC3)(H){1|Si<4>,1|H<1>,4|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(P[5,6,6]P[3,5,6]C[6])(C[5,6]P[3,5,6]SiH)(C[6]C[6]H){1|Si<4>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	Si(C[5,6]C[5,3x6]P[3,5,6]H)(CH3)3	118.2280	0.000	1	118.2280	0.000	1	118.2280	0.000	1	118.2280	0.000	1	117.2817	2.221	4	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5,6]	C[5,3x6]	Si	4:3:4:1:	3:4:4:3:	4:4:4:4:	C[5,3x6]-4:P[3,5,6]-3:Si-4:H-1:	C[6,6,6a]-3:P[5,6,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:C-4:C-4:C-4:	C[5,6](C[5,3x6]C[6,6,6a]P[5,6,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(SiC3)(H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(P[5,6,6]P[3,5,6]C[6]Au)(C[5,6]P[3,5,6]SiH)(C[6]C[6]H)	Si(C[5,6]C[5,3x6]P[3,5,6]H)(CH3)3	C[5,6](C[5,3x6]C[6,6,6a]P[5,6,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(SiC3)(H){1|Au<2>,1|Si<4>,1|H<1>,4|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(P[5,6,6]P[3,5,6]C[6]Au)(C[5,6]P[3,5,6]SiH)(C[6]C[6]H){1|Si<4>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	Si(C[5,6]C[5,3x6]P[3,5,6]H)(CH3)3	116.5110	0.000	1	116.5110	0.000	1	116.9663	2.735	3	116.9663	2.735	3	117.2817	2.221	4	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5,6]	C[5,3x6]	Si	4:3:4:1:	3:4:4:3:	4:4:4:4:	C[5,3x6]-4:P[3,5,6]-3:Si-4:H-1:	C[6,6,6a]-3:P[5,6,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-4:C-4:C-4:C-4:	C[5,6](C[5,3x6]C[6,6,6a]P[5,6,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(SiC3)(H)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(P[5,6,6]P[3,5,6]C[6]Cu)(C[5,6]P[3,5,6]SiH)(C[6]C[6]H)	Si(C[5,6]C[5,3x6]P[3,5,6]H)(CH3)3	C[5,6](C[5,3x6]C[6,6,6a]P[5,6,6]C[6])(P[3,5,6]C[3,6,6]P[3,5,6])(SiC3)(H){1|Cu<3>,1|Si<4>,1|H<1>,4|C<3>}	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])(P[5,6,6]P[3,5,6]C[6]Cu)(C[5,6]P[3,5,6]SiH)(C[6]C[6]H){1|Si<4>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	Si(C[5,6]C[5,3x6]P[3,5,6]H)(CH3)3	117.1940	2.271	2	117.1940	5.158	2	116.9663	2.735	3	116.9663	2.735	3	117.2817	2.221	4	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5,6]	C[5,5,6,6]	Si	4:4:4:1:	3:4:3:4:	4:4:4:4:	C[5,5,6,6]-4:C[5,6]-4:Si-4:H-1:	C[5,6,6]-3:C[5,6]-4:C[5,5]-3:C[6]-4:	C[5,6]-4:C-4:C-4:C-4:	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]CH)(SiC3)(H)	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(C[5,6]C[5,6]SiH)(C[5,5]C[5,5,6]O)(C[6]C[6]HH)	Si(C[5,6]C[5,5,6,6]C[5,6]H)(CH3)3	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]CH)(SiC3)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6]C[6])(C[5,6]C[5,6]SiH)(C[5,5]C[5,5,6]O)(C[6]C[6]HH){1|C<3>,1|C<4>,7|H<1>}	Si(C[5,6]C[5,5,6,6]C[5,6]H)(CH3)3	119.8340	0.000	1	119.8340	0.000	1	119.8340	0.000	1	119.8340	0.000	1	119.8340	0.000	1	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	Si	4:4:4:1:	3:4:2:1:	4:4:4:4:	C[5,5,6]-4:C[5,6]-4:Si-4:H-1:	C[5,6,6a]-3:C[5,6]-4:O[5,5]-2:H-1:	C[5,6]-4:C-4:C-4:C-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C[6a]H)(SiC3)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]SiH)(O[5,5]C[5,5,6])(H)	Si(C[5,6]C[5,5,6]C[5,6]H)(CH3)3	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C[6a]H)(SiC3)(H){1|H<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]SiH)(O[5,5]C[5,5,6])(H){3|C<3>,3|H<1>}	Si(C[5,6]C[5,5,6]C[5,6]H)(CH3)3	111.5395	0.322	2	111.5395	0.104	2	111.5395	0.104	2	111.5395	0.104	2	115.3907	11.143	6	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	Si	4:4:4:1:	4:3:3:4:	4:4:4:4:	C[5,5,6]-4:C[5,6]-4:Si-4:H-1:	C[5,6]-4:C[5,5]-3:C[5,6]-3:C-4:	C[5,6]-4:C-4:C-4:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CH)(SiC3)(H)	C[5,5,6](C[5,6]C[5,6]SiH)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CCHH)	Si(C[5,6]C[5,5,6]C[5,6]H)(CH3)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CH)(SiC3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5,5,6](C[5,6]C[5,6]SiH)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CCHH){1|C<3>,3|H<1>}	Si(C[5,6]C[5,5,6]C[5,6]H)(CH3)3	119.7150	0.000	1	119.7150	0.000	1	119.7150	0.000	1	119.7150	0.000	1	115.3907	11.143	6	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	Si	4:4:4:1:	4:4:4:1:	4:4:4:2:	C[5,5,6]-4:C[5,6]-4:Si-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-4:H-1:	C[5,6]-4:C-4:C-4:O-2:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(SiCCO)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]SiH)(H)	Si(C[5,6]C[5,5,6]C[5,6]H)(CH3)2(OSi)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(SiCCO)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]SiH)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	Si(C[5,6]C[5,5,6]C[5,6]H)(CH3)2(OSi)	116.3675	1.819	2	116.3675	3.310	2	116.3675	3.310	2	116.3675	3.310	2	115.3907	11.143	6	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	Si	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,5,6]-4:C[5,6]-4:Si-4:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C-4:C-4:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SiC3)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]SiH)(C[5,6]C[5,6]HH)(H)	Si(C[5,6]C[5,5,6]C[5,6]H)(CH3)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SiC3)(H){1|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]SiH)(C[5,6]C[5,6]HH)(H){1|O<2>,4|H<1>}	Si(C[5,6]C[5,5,6]C[5,6]H)(CH3)3	116.8150	0.000	1	116.8150	0.000	1	116.8150	0.000	1	116.8150	0.000	1	115.3907	11.143	6	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	Si	4:3:4:4:	4:4:4:1:	4:3:4:4:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:Si-4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:C-4:C-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6a]N[6,6a]C[6a])(C[5]O[5]HH)(SiC[6a]CC)	C[5,6,6](C[5,6,6]C[6,6]O[5]C)(C[5,6]C[6,6a]C[5]Si)(C[6]C[6]HH)(H)	Si(C[5,6]C[5,6,6]C[6,6a]C[5])(C[6a]C[6a]2)(CH3)2	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6a]N[6,6a]C[6a])(C[5]O[5]HH)(SiC[6a]CC){2|C<4>,3|C<3>,3|H<1>}	C[5,6,6](C[5,6,6]C[6,6]O[5]C)(C[5,6]C[6,6a]C[5]Si)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	Si(C[5,6]C[5,6,6]C[6,6a]C[5])(C[6a]C[6a]2)(CH3)2	113.8740	0.000	1	113.8740	0.000	1	113.8740	0.000	1	113.8740	0.000	1	112.8810	1.972	2	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5,6]	C[5,6,6]	Si	4:4:4:4:	4:4:4:1:	4:3:4:4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:Si-4:	C[5,6,6]-4:C[5,6]-4:C[6]-4:H-1:	C[5,6]-4:C[6a]-3:C-4:C-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]N[6,6]C[6]H)(C[5]O[5]HH)(SiC[6a]CC)	C[5,6,6](C[5,6,6]C[6,6]O[5]C)(C[5,6]C[6,6]C[5]Si)(C[6]C[6]HH)(H)	Si(C[5,6]C[5,6,6]C[6,6]C[5])(C[6a]C[6a]2)(CH3)2	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]N[6,6]C[6]H)(C[5]O[5]HH)(SiC[6a]CC){1|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[6,6]O[5]C)(C[5,6]C[6,6]C[5]Si)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|C<4>,5|H<1>}	Si(C[5,6]C[5,6,6]C[6,6]C[5])(C[6a]C[6a]2)(CH3)2	111.8880	0.000	1	111.8880	0.000	1	111.8880	0.000	1	111.8880	0.000	1	112.8810	1.972	2	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5,6]	C[5,6]	Si	4:4:3:4:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-3:Si-4:	C[5,6]-4:C[5,6]-4:H-1:H-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[5,6](C[5,6]C[5]C[6]Si)(C[5,6]C[5]C[6]H)(H)2	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[5,6](C[5,6]C[5]C[6]Si)(C[5,6]C[5]C[6]H)(H)2{1|N<3>,2|O<1>,4|H<1>}	Si(C[5,6]C[5,6]C[5]C[6])(CH3)3	114.8830	1.377	4	114.8830	1.896	4	114.8830	1.896	4	114.8830	1.896	4	117.7299	17.973	11	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5,6]	C[5,6]	Si	4:4:4:1:	4:3:4:1:	4:4:4:4:	C[5,5,6]-4:C[5,6]-4:Si-4:H-1:	C[5,5,6]-4:C[6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C-4:C-4:C-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C[6a]H)(SiC3)(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5,6]SiH)(H)	Si(C[5,6]C[5,5,6]C[5,6]H)(CH3)3	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C[6a]H)(SiC3)(H){1|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[6a]C[6a,6a]C[6a])(C[5,6]C[5,5,6]SiH)(H){1|Si<4>,1|H<1>,5|C<3>}	Si(C[5,6]C[5,5,6]C[5,6]H)(CH3)3	125.8280	0.000	1	125.8280	0.000	1	125.8280	0.000	1	125.8280	0.000	1	117.7299	17.973	11	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5,6]	C[5,6]	Si	4:4:4:1:	4:4:1:1:	4:4:4:2:	C[5,5,6]-4:C[5,6]-4:Si-4:H-1:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[5,6]-4:C-4:C-4:O-2:	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(SiCCO)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]SiH)(H)2	Si(C[5,6]C[5,5,6]C[5,6]H)(CH3)2(OSi)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(SiCCO)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]SiH)(H)2{1|C<3>,1|C<4>,4|H<1>}	Si(C[5,6]C[5,5,6]C[5,6]H)(CH3)2(OSi)	114.1135	1.937	2	114.1135	3.751	2	114.1135	3.751	2	114.1135	3.751	2	117.7299	17.973	11	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5,6]	C[5,6]	Si	4:4:4:1:	4:4:2:1:	4:4:4:4:	C[5,5,6]-4:C[5,6]-4:Si-4:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C-4:C-4:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SiC3)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]SiH)(OS)(H)	Si(C[5,6]C[5,5,6]C[5,6]H)(CH3)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SiC3)(H){1|C<4>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]SiH)(OS)(H){1|C<4>,5|H<1>}	Si(C[5,6]C[5,5,6]C[5,6]H)(CH3)3	119.1660	0.000	1	119.1660	0.000	1	119.1660	0.000	1	119.1660	0.000	1	117.7299	17.973	11	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5,6]	C[5,6]	Si	4:4:4:1:	4:4:3:1:	4:4:4:4:	C[5,5,6,6]-4:C[5,6]-4:Si-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:C-4:C-4:C-4:	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]CH)(SiC3)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6,6]SiH)(COO)(H)	Si(C[5,6]C[5,5,6,6]C[5,6]H)(CH3)3	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]CH)(SiC3)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6,6]SiH)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	Si(C[5,6]C[5,5,6,6]C[5,6]H)(CH3)3	118.4710	0.000	1	118.4710	0.000	1	118.4710	0.000	1	120.7587	8.279	3	117.7299	17.973	11	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5,6]	C[5,6]	Si	4:4:4:1:	4:4:3:1:	4:4:4:4:	C[5,5,6]-4:C[5,6]-4:Si-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:H-1:	C[5,6]-4:C-4:C-4:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CH)(SiC3)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]SiH)(COO)(H)	Si(C[5,6]C[5,5,6]C[5,6]H)(CH3)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CH)(SiC3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]SiH)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	Si(C[5,6]C[5,5,6]C[5,6]H)(CH3)3	119.8160	0.000	1	119.8160	0.000	1	119.8160	0.000	1	120.7587	8.279	3	117.7299	17.973	11	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5,6]	C[5,6]	Si	4:4:4:1:	4:4:3:1:	4:4:4:4:	C[5,5,6]-4:C[5,6]-4:Si-4:H-1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[5,6]-4:C-4:C-4:C-4:	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C[6a]H)(SiC3)(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]SiH)(C[6a]C[6a]2)(H)	Si(C[5,6]C[5,5,6]C[5,6]H)(CH3)3	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]C[6a]H)(SiC3)(H){1|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]SiH)(C[6a]C[6a]2)(H){1|Si<4>,2|H<1>,4|C<3>}	Si(C[5,6]C[5,5,6]C[5,6]H)(CH3)3	123.9890	0.000	1	123.9890	0.000	1	123.9890	0.000	1	120.7587	8.279	3	117.7299	17.973	11	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5,6]	C[5]	Si	4:3:4:4:	4:2:1:1:	4:3:4:4:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:Si-4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[6a]-3:C-4:C-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6a]N[6,6a]C[6a])(C[5]O[5]HH)(SiC[6a]CC)	C[5](C[5,6]C[5,6,6]C[6,6a]Si)(O[5]C[5,6,6])(H)2	Si(C[5,6]C[5,6,6]C[6,6a]C[5])(C[6a]C[6a]2)(CH3)2	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6a]N[6,6a]C[6a])(C[5]O[5]HH)(SiC[6a]CC){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6,6]C[6,6a]Si)(O[5]C[5,6,6])(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	Si(C[5,6]C[5,6,6]C[6,6a]C[5])(C[6a]C[6a]2)(CH3)2	110.1360	0.000	1	110.1360	0.000	1	110.1360	0.000	1	110.1360	0.000	1	112.2502	2.026	6	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5,6]	C[5]	Si	4:4:3:4:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:C[6]-3:Si-4:	C[5,6]-4:C[5]-4:H-1:H-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[5](C[5,6]C[5,6]C[6]Si)(C[5]C[5,6]HH)(H)2	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[5](C[5,6]C[5,6]C[6]Si)(C[5]C[5,6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,3|H<1>}	Si(C[5,6]C[5,6]C[5]C[6])(CH3)3	112.9073	1.106	4	112.9073	1.223	4	112.9073	1.223	4	112.9073	1.223	4	112.2502	2.026	6	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5,6]	C[5]	Si	4:4:4:4:	4:2:1:1:	4:3:4:4:	C[5,6,6]-4:C[6,6]-4:C[5]-4:Si-4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:C[6a]-3:C-4:C-4:	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]N[6,6]C[6]H)(C[5]O[5]HH)(SiC[6a]CC)	C[5](C[5,6]C[5,6,6]C[6,6]Si)(O[5]C[5,6,6])(H)2	Si(C[5,6]C[5,6,6]C[6,6]C[5])(C[6a]C[6a]2)(CH3)2	C[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6,6]N[6,6]C[6]H)(C[5]O[5]HH)(SiC[6a]CC){1|C<3>,4|C<4>,4|H<1>}	C[5](C[5,6]C[5,6,6]C[6,6]Si)(O[5]C[5,6,6])(H)2{1|N<3>,2|H<1>,4|C<4>}	Si(C[5,6]C[5,6,6]C[6,6]C[5])(C[6a]C[6a]2)(CH3)2	111.7360	0.000	1	111.7360	0.000	1	111.7360	0.000	1	111.7360	0.000	1	112.2502	2.026	6	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5,5]	Si	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,5]-4:C[5]-4:Si-4:H-1:	C[5,5,6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]CH)(SiC3)(H)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]SiH)(C[5]C[5]HH)(H)	Si(C[5]C[5,5]C[5]H)(CH3)3	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]CH)(SiC3)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]SiH)(C[5]C[5]HH)(H){1|C<2>,1|O<1>,2|C<4>,6|H<1>}	Si(C[5]C[5,5]C[5]H)(CH3)3	121.1545	0.507	4	121.1545	0.258	4	121.1545	0.258	4	121.1545	0.258	4	120.4399	0.681	9	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5,5]	Si	4:4:4:1:	4:4:4:3:	4:3:3:3:	C[5,5]-4:C[5]-4:Si-4:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(SiC[6a]3)(H)	C[5,5](C[5]C[5]SiH)(C[5]C[5]CO)(C[5]C[5]HH)(C[5]O[5]O)	Si(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)3	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(SiC[6a]3)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,5](C[5]C[5]SiH)(C[5]C[5]CO)(C[5]C[5]HH)(C[5]O[5]O){6|H<1>}	Si(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)3	120.3010	0.000	1	120.3010	0.000	1	120.3010	0.000	1	120.3010	0.000	1	120.4399	0.681	9	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5,5]	Si	4:4:4:1:	4:4:4:3:	4:3:4:4:	C[5,5]-4:C[5]-4:Si-4:H-1:	C[5]-4:C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[6a]-3:C-4:C-4:	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(SiC[6a]CC)(H)	C[5,5](C[5]C[5]SiH)(C[5]C[5]CO)(C[5]C[5]HH)(C[5]O[5]O)	Si(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(CH3)2	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(SiC[6a]CC)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,5](C[5]C[5]SiH)(C[5]C[5]CO)(C[5]C[5]HH)(C[5]O[5]O){6|H<1>}	Si(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(CH3)2	119.7600	0.505	4	119.7600	0.255	4	119.7600	0.255	4	119.7600	0.255	4	120.4399	0.681	9	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5,6]	Si	4:3:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[5]-3:Si-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(SiC3)(H)	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]SiH)(C[6]O[6]CH)(H)	Si(C[5]C[5,6]C[5]H)(CH3)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(SiC3)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6]O[5]H)(C[5]C[5]SiH)(C[6]O[6]CH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	Si(C[5]C[5,6]C[5]H)(CH3)3	126.0560	0.000	1	126.0560	0.000	1	126.0560	0.000	1	126.0560	0.000	1	120.9457	8.407	6	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5,6]	Si	4:3:4:1:	4:4:4:4:	4:4:4:4:	C[5,6]-4:N[5]-3:Si-4:H-1:	C[5]-4:C[5]-4:C[6]-4:C[6]-4:	C[5]-4:Si-4:Si-4:Si-4:	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(SiSi3)(H)	C[5,6](C[5]N[5]SiH)(C[5]C[5]HH)(C[6]C[6]HH)2	Si(C[5]C[5,6]N[5]H)(SiC3)3	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(SiSi3)(H){2|C<3>,4|C<4>,6|H<1>}	C[5,6](C[5]N[5]SiH)(C[5]C[5]HH)(C[6]C[6]HH)2{1|C<3>,3|C<4>,4|H<1>}	Si(C[5]C[5,6]N[5]H)(SiC3)3	117.1070	0.000	1	117.1070	0.000	1	117.1070	0.000	1	117.1070	0.000	1	120.9457	8.407	6	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5,6]	Si	4:4:4:1:	2:4:4:4:	4:4:4:3:	C[5,6]-4:C[5]-4:Si-4:H-1:	O[5,6]-2:C[5]-4:C[6]-4:C-4:	C[5]-4:C-4:C-4:C-3:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH)(SiC3)(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]SiH)(C[6]C[6]HH)(CH3)	Si(C[5]C[5,6]C[5]H)(CH3)2(CCH)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH)(SiC3)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]SiH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|H<1>}	Si(C[5]C[5,6]C[5]H)(CH3)2(CCH)	119.8770	0.000	1	119.8770	0.000	1	119.8770	0.000	1	119.8770	0.000	1	120.9457	8.407	6	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5,6]	Si	4:4:4:1:	2:4:4:4:	4:4:4:4:	C[5,6]-4:C[5]-4:Si-4:H-1:	O[5,6]-2:C[5]-4:C[6]-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH)(SiC3)(H)	C[5,6](O[5,6]C[5,6])(C[5]C[5]SiH)(C[6]C[6]HH)(CH3)	Si(C[5]C[5,6]C[5]H)(CH3)3	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH)(SiC3)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,6](O[5,6]C[5,6])(C[5]C[5]SiH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|H<1>}	Si(C[5]C[5,6]C[5]H)(CH3)3	120.9990	0.000	1	120.9990	0.000	1	120.9990	0.000	1	120.9990	0.000	1	120.9457	8.407	6	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5,6]	Si	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[5]-4:Si-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SiC3)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]SiH)(C[6]N[6]HH)(H)	Si(C[5]C[5,6]C[5]H)(CCHH)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SiC3)(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]C[5]SiH)(C[6]N[6]HH)(H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	Si(C[5]C[5,6]C[5]H)(CCHH)3	120.8730	0.000	1	120.8730	0.000	1	120.8730	0.000	1	120.8730	0.000	1	120.9457	8.407	6	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5,6]	Si	4:4:4:1:	4:4:4:4:	4:3:4:4:	C[5,6]-4:C[5]-4:Si-4:H-1:	C[5,6]-4:C[5]-4:C[6]-4:C-4:	C[5]-4:C[6a]-3:C-4:C-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CH)(SiC[6a]CC)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]SiH)(C[6]C[6]CH)(CH3)	Si(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CH3)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CH)(SiC[6a]CC)(H){2|H<1>,3|C<4>}	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]SiH)(C[6]C[6]CH)(CH3){2|C<4>,5|H<1>}	Si(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CH3)2	120.7620	0.000	1	120.7620	0.000	1	120.7620	0.000	1	120.7620	0.000	1	120.9457	8.407	6	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	3:4:4:1:	4:4:1:1:	4:4:4:4:	C[5]-3:C[5]-4:Si-4:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(SiC3)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]SiH)(H)2	Si(C[5]C[5]2H)(CH3)3	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(SiC3)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]SiH)(H)2{1|B<3>,2|C<3>,2|H<1>}	Si(C[5]C[5]2H)(CH3)3	112.2840	1.547	2	112.2840	2.394	2	112.2840	2.394	2	113.2760	4.149	3	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	3:4:4:1:	4:4:1:1:	4:4:4:4:	N[5]-3:C[5]-4:Si-4:H-1:	C[5]-4:C[5]-4:F-1:F-1:	C[5]-4:C-4:C-4:C-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]FF)(SiC3)(H)	C[5](C[5]N[5]SiH)(C[5]C[5]CH)(F)2	Si(C[5]C[5]N[5]H)(CH3)3	C[5](N[5]C[6a]C[5])(C[5]C[5]FF)(SiC3)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]N[5]SiH)(C[5]C[5]CH)(F)2{1|C<3>,2|H<1>}	Si(C[5]C[5]N[5]H)(CH3)3	115.2600	0.000	1	115.2600	0.000	1	115.2600	0.000	1	113.2760	4.149	3	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	3:4:4:1:	4:4:3:1:	4:4:4:1:	C[5,5a]-3:C[5]-4:Si-4:H-1:	C[5]-4:Si[5]-4:C[6a]-3:H-1:	C[5]-4:C-4:C-4:H-1:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]Si[5]H)(SiCCH)(H)	C[5](C[5]C[5,5a]SiH)(Si[5]C[5,5a]CC)(C[6a]C[6a]2)(H)	Si(C[5]C[5,5a]C[5]H)(CH3)2(H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]Si[5]H)(SiCCH)(H){3|C<4>,4|C<3>}	C[5](C[5]C[5,5a]SiH)(Si[5]C[5,5a]CC)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,3|C<3>}	Si(C[5]C[5,5a]C[5]H)(CH3)2(H)	107.5840	0.000	1	107.5840	0.000	1	107.5840	0.000	1	107.5840	0.000	1	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	3:4:4:1:	4:4:4:4:	4:3:1:1:	N[5]-3:C[5]-4:Si-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:N-3:Cl-1:Cl-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiCl2N)(H)	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(CH3)2	Si(C[5]C[5]N[5]H)(NCC)(Cl)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiCl2N)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(CH3)2{1|C<3>,2|C<4>}	Si(C[5]C[5]N[5]H)(NCC)(Cl)2	117.7350	0.000	1	117.7350	0.000	1	117.7350	0.000	1	117.7350	0.000	1	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	3:4:4:1:	4:4:4:4:	4:4:1:1:	N[5]-3:C[5]-4:Si-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:Cl-1:Cl-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiC[5]Cl2)(H)	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(CH3)2	Si(C[5]C[5]N[5]H)(C[5]C[5]2C)(Cl)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiC[5]Cl2)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(CH3)2{1|C<3>,2|C<4>}	Si(C[5]C[5]N[5]H)(C[5]C[5]2C)(Cl)2	120.7130	0.000	1	120.7130	0.000	1	120.7130	0.000	1	120.7130	0.000	1	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	3:4:4:4:	4:4:1:1:	4:4:4:4:	Ge[5]-3:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](Ge[5]C[5]Ge)(C[5]C[5]HH)(SiC3)2	C[5](C[5]Ge[5]Si2)(C[5]C[5]HH)(H)2	Si(C[5]Ge[5]C[5]Si)(CH3)3	C[5](Ge[5]C[5]Ge)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	C[5](C[5]Ge[5]Si2)(C[5]C[5]HH)(H)2{1|Ge<2>,2|Si<4>}	Si(C[5]Ge[5]C[5]Si)(CH3)3	110.0863	1.216	7	110.0863	1.478	7	110.0393	1.084	11	109.2254	2.913	95	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	3:4:4:4:	4:4:1:1:	4:4:4:4:	Ge[5]-3:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](Ge[5]C[5]Si)(C[5]C[5]HH)(SiC3)2	C[5](C[5]Ge[5]Si2)(C[5]C[5]HH)(H)2	Si(C[5]Ge[5]C[5]Si)(CH3)3	C[5](Ge[5]C[5]Si)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	C[5](C[5]Ge[5]Si2)(C[5]C[5]HH)(H)2{1|Si<2>,2|Si<4>}	Si(C[5]Ge[5]C[5]Si)(CH3)3	109.9570	0.801	4	109.9570	0.642	4	110.0393	1.084	11	109.2254	2.913	95	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	3:4:4:4:	4:4:1:1:	4:4:4:4:	P[5]-3:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](P[5]C[3x6]C[5])(C[5]C[5]HH)(SiC3)2	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2	Si(C[5]C[5]P[5]Si)(CH3)3	C[5](P[5]C[3x6]C[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>,3|C<4>}	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<4>}	Si(C[5]C[5]P[5]Si)(CH3)3	106.9345	1.903	4	106.9345	3.620	4	106.9345	3.620	4	109.2254	2.913	95	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	3:4:4:4:	4:4:1:1:	4:4:4:4:	Si[5]-3:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5]C[5]Ni)(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	Si(C[5]Si[5]C[5]Si)(CH3)3	C[5](Si[5]C[5]Ni)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{1|Ni<3>,2|Si<4>}	Si(C[5]Si[5]C[5]Si)(CH3)3	111.2235	0.787	4	110.6520	1.488	8	109.2281	2.833	80	109.2254	2.913	95	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	3:4:4:4:	4:4:1:1:	4:4:4:4:	Si[5]-3:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5]C[5]Ni)(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	Si(C[5]Si[5]C[5]Si)(CH3)3	C[5](Si[5]C[5]Ni)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{1|Ni<7>,2|Si<4>}	Si(C[5]Si[5]C[5]Si)(CH3)3	110.0805	1.408	4	110.6520	1.488	8	109.2281	2.833	80	109.2254	2.913	95	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	3:4:4:4:	4:4:1:1:	4:4:4:4:	Si[5]-3:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5]C[5]Pd)(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	Si(C[5]Si[5]C[5]Si)(CH3)3	C[5](Si[5]C[5]Pd)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{1|Pd<3>,2|Si<4>}	Si(C[5]Si[5]C[5]Si)(CH3)3	110.5690	0.922	4	110.5690	0.851	4	109.2281	2.833	80	109.2254	2.913	95	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	3:4:4:4:	4:4:1:1:	4:4:4:4:	Si[5]-3:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5]C[5]Pt)(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	Si(C[5]Si[5]C[5]Si)(CH3)3	C[5](Si[5]C[5]Pt)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{1|Pt<3>,2|Si<4>}	Si(C[5]Si[5]C[5]Si)(CH3)3	111.2230	0.862	4	110.6923	0.985	8	109.2281	2.833	80	109.2254	2.913	95	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	3:4:4:4:	4:4:1:1:	4:4:4:4:	Si[5]-3:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5]C[5]Pt)(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	Si(C[5]Si[5]C[5]Si)(CH3)3	C[5](Si[5]C[5]Pt)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{1|Pt<5>,2|Si<4>}	Si(C[5]Si[5]C[5]Si)(CH3)3	110.1615	0.897	4	110.6923	0.985	8	109.2281	2.833	80	109.2254	2.913	95	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	3:4:4:4:	4:4:1:1:	4:4:4:4:	Si[5]-3:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5]C[5]Se)(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	Si(C[5]Si[5]C[5]Si)(CH3)3	C[5](Si[5]C[5]Se)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{1|Se<1>,2|Si<4>}	Si(C[5]Si[5]C[5]Si)(CH3)3	110.4620	0.635	4	110.4620	0.403	4	109.2281	2.833	80	109.2254	2.913	95	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	3:4:4:4:	4:4:1:1:	4:4:4:4:	Si[5]-3:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5]C[5]Si)(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	Si(C[5]Si[5]C[5]Si)(CH3)3	C[5](Si[5]C[5]Si)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{1|Si<2>,2|Si<4>}	Si(C[5]Si[5]C[5]Si)(CH3)3	109.2888	1.192	4	108.4959	2.497	48	109.2281	2.833	80	109.2254	2.913	95	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	3:4:4:4:	4:4:1:1:	4:4:4:4:	Si[5]-3:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5]C[5]Si)(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	Si(C[5]Si[5]C[5]Si)(CH3)3	C[5](Si[5]C[5]Si)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{1|Si<3>,2|Si<4>}	Si(C[5]Si[5]C[5]Si)(CH3)3	108.4238	1.602	44	108.4959	2.497	48	109.2281	2.833	80	109.2254	2.913	95	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	3:4:4:4:	4:4:1:1:	4:4:4:4:	Si[5]-3:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5]C[5]Te)(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	Si(C[5]Si[5]C[5]Si)(CH3)3	C[5](Si[5]C[5]Te)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{1|Te<1>,2|Si<4>}	Si(C[5]Si[5]C[5]Si)(CH3)3	110.5718	0.723	4	110.5718	0.522	4	109.2281	2.833	80	109.2254	2.913	95	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	3:4:4:4:	4:4:1:1:	4:4:4:4:	Si[5]-3:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5]Si[4,4]C[5])(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	Si(C[5]Si[5]C[5]Si)(CH3)3	C[5](Si[5]Si[4,4]C[5])(C[5]C[5]HH)(SiC3)2{4|Si<4>,2|H<1>}	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{1|Si<3>,2|Si<4>}	Si(C[5]Si[5]C[5]Si)(CH3)3	108.3193	0.553	4	108.3193	0.306	4	109.2281	2.833	80	109.2254	2.913	95	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:2:4:4:	4:4:1:1:	4:4:4:4:	C[5]-4:P[5]-2:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](C[5]C[5]HH)(P[5]C[5])(SiC3)2	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2	Si(C[5]C[5]P[5]Si)(CH3)3	C[5](C[5]C[5]HH)(P[5]C[5])(SiC3)2{2|Si<4>,2|H<1>}	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>}	Si(C[5]C[5]P[5]Si)(CH3)3	111.1014	2.078	15	111.1014	4.319	15	111.1014	4.319	15	110.9961	3.445	19	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:2:4:4:	4:4:1:1:	4:4:4:4:	C[5]-4:Si[5]-2:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](C[5]C[5]HH)(Si[5]C[5])(SiC3)2	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	Si(C[5]Si[5]C[5]Si)(CH3)3	C[5](C[5]C[5]HH)(Si[5]C[5])(SiC3)2{2|Si<4>,2|H<1>}	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>}	Si(C[5]Si[5]C[5]Si)(CH3)3	110.6010	0.505	4	110.6010	0.255	4	110.6010	0.255	4	110.9961	3.445	19	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:3:4:1:	3:4:3:1:	4:3:4:4:	C[5]-4:N[5]-3:Si-4:H-1:	C[5,6a]-3:C[5]-4:C-3:H-1:	C[5]-4:C[6a]-3:C-4:C-4:	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(SiC[6a]CC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]SiH)(CCO)(H)	Si(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CH3)2	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(SiC[6a]CC)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]SiH)(CCO)(H){1|H<1>,3|C<3>}	Si(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CH3)2	112.5740	0.000	1	112.5740	0.000	1	112.5740	0.000	1	112.5740	0.000	1	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:3:4:1:	3:4:4:2:	4:4:4:4:	C[5]-4:C[5]-3:Si-4:H-1:	C[5]-3:C[5]-4:C-4:O-2:	C[5]-4:C-4:C-4:C-4:	C[5](C[5]C[5]CO)(C[5]C[5]O)(SiC3)(H)	C[5](C[5]C[5]C[6])(C[5]C[5]SiH)(CH3)(OC)	Si(C[5]C[5]2H)(CH3)3	C[5](C[5]C[5]CO)(C[5]C[5]O)(SiC3)(H){1|Si<4>,1|C<4>}	C[5](C[5]C[5]C[6])(C[5]C[5]SiH)(CH3)(OC){1|Cr<9>,1|Si<4>,1|O<1>,2|C<4>}	Si(C[5]C[5]2H)(CH3)3	123.6510	0.000	1	123.6510	0.000	1	123.6510	0.000	1	123.6510	0.000	1	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:3:4:1:	4:4:1:1:	4:3:3:3:	C[5]-4:N[5]-3:Si-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5]HH)(N[5]C[5]C)(SiC[6a]3)(H)	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(H)2	Si(C[5]C[5]N[5]H)(C[6a]C[6a]2)3	C[5](C[5]C[5]HH)(N[5]C[5]C)(SiC[6a]3)(H){4|H<1>}	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>}	Si(C[5]C[5]N[5]H)(C[6a]C[6a]2)3	112.4730	0.000	1	112.4730	0.000	1	112.4730	0.000	1	112.4730	0.000	1	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:3:4:1:	4:4:4:1:	4:4:4:4:	C[5]-4:C[5]-3:Si-4:H-1:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](C[5]C[5]SiH)(C[5]Si[5]C)(SiC3)(H)	C[5](C[5]Si[5]SiH)(C[5]C[5]SiH)(SiC3)(H)	Si(C[5]C[5]2H)(CH3)3	C[5](C[5]C[5]SiH)(C[5]Si[5]C)(SiC3)(H){1|Si<4>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]Si[5]SiH)(C[5]C[5]SiH)(SiC3)(H){1|C<3>,1|C<4>,1|O<2>}	Si(C[5]C[5]2H)(CH3)3	111.1525	2.360	2	111.1525	5.568	2	111.1525	5.568	2	111.1525	5.568	2	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:3:4:2:	4:3:4:1:	4:4:4:4:	C[5]-4:C[5]-3:Si-4:O-2:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(SiC3)(OH)	C[5](C[5]C[5]SiO)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	Si(C[5]C[5]2O)(CCHH)3	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(SiC3)(OH){2|C<3>,3|H<1>}	C[5](C[5]C[5]SiO)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,4|H<1>}	Si(C[5]C[5]2O)(CCHH)3	119.0250	0.000	1	119.0250	0.000	1	119.0250	0.000	1	119.0250	0.000	1	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:3:4:4:	4:3:1:1:	4:4:4:4:	C[5]-4:B[5]-3:Si-4:Si-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](C[5]C[5]HH)(B[5]N[5]O)(SiC3)2	C[5](C[5]B[5]Si2)(C[5]N[5]B)(H)2	Si(C[5]B[5]C[5]Si)(CH3)3	C[5](C[5]C[5]HH)(B[5]N[5]O)(SiC3)2{1|B<3>,1|C<3>}	C[5](C[5]B[5]Si2)(C[5]N[5]B)(H)2{1|C<3>,1|O<2>}	Si(C[5]B[5]C[5]Si)(CH3)3	111.7820	0.298	2	109.7770	3.578	5	109.7770	3.578	5	109.7770	3.578	5	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:3:4:4:	4:3:1:1:	4:4:4:4:	C[5]-4:B[5]-3:Si-4:Si-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](C[5]C[5]HH)(B[5]N[5]O)(SiC3)2	C[5](C[5]B[5]Si2)(C[5]N[5]B)(H)2	Si(C[5]B[5]C[5]Si)(CH3)3	C[5](C[5]C[5]HH)(B[5]N[5]O)(SiC3)2{1|B<4>,1|C<3>}	C[5](C[5]B[5]Si2)(C[5]N[5]B)(H)2{1|C<3>,1|O<2>}	Si(C[5]B[5]C[5]Si)(CH3)3	108.4403	0.641	3	109.7770	3.578	5	109.7770	3.578	5	109.7770	3.578	5	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:3:4:4:	4:4:1:1:	4:4:4:4:	C[5]-4:P[5]-3:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](C[5]C[5]HH)(P[5]C[5]C)(SiC3)2	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2	Si(C[5]C[5]P[5]Si)(CH3)3	C[5](C[5]C[5]HH)(P[5]C[5]C)(SiC3)2{2|Si<4>,2|H<1>}	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<4>}	Si(C[5]C[5]P[5]Si)(CH3)3	108.2956	2.072	8	108.2956	4.295	8	108.3028	3.285	28	109.4676	3.704	52	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:3:4:4:	4:4:1:1:	4:4:4:4:	C[5]-4:P[5]-3:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](C[5]C[5]HH)(P[5]C[5]Cl)(SiC3)2	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2	Si(C[5]C[5]P[5]Si)(CH3)3	C[5](C[5]C[5]HH)(P[5]C[5]Cl)(SiC3)2{2|Si<4>,2|H<1>}	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2{1|Cl<1>,2|Si<4>}	Si(C[5]C[5]P[5]Si)(CH3)3	109.6130	2.379	4	109.6130	5.659	4	108.3028	3.285	28	109.4676	3.704	52	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:3:4:4:	4:4:1:1:	4:4:4:4:	C[5]-4:P[5]-3:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](C[5]C[5]HH)(P[5]C[5]Fe)(SiC3)2	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2	Si(C[5]C[5]P[5]Si)(CH3)3	C[5](C[5]C[5]HH)(P[5]C[5]Fe)(SiC3)2{2|Si<4>,2|H<1>}	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2{1|Fe<4>,2|Si<4>}	Si(C[5]C[5]P[5]Si)(CH3)3	107.7566	1.160	8	107.9789	2.207	16	108.3028	3.285	28	109.4676	3.704	52	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:3:4:4:	4:4:1:1:	4:4:4:4:	C[5]-4:P[5]-3:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](C[5]C[5]HH)(P[5]C[5]Fe)(SiC3)2	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2	Si(C[5]C[5]P[5]Si)(CH3)3	C[5](C[5]C[5]HH)(P[5]C[5]Fe)(SiC3)2{2|Si<4>,2|H<1>}	C[5](C[5]P[5]Si2)(C[5]C[5]HH)(H)2{1|Fe<5>,2|Si<4>}	Si(C[5]C[5]P[5]Si)(CH3)3	108.2011	1.808	8	107.9789	2.207	16	108.3028	3.285	28	109.4676	3.704	52	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:3:4:4:	4:4:1:1:	4:4:4:4:	C[5]-4:Si[5]-3:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](C[5]C[5]HH)(Si[5]C[5]C)(SiC3)2	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	Si(C[5]Si[5]C[5]Si)(CH3)3	C[5](C[5]C[5]HH)(Si[5]C[5]C)(SiC3)2{2|Si<4>,2|H<1>}	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<2>}	Si(C[5]Si[5]C[5]Si)(CH3)3	110.1823	1.435	4	110.1823	2.059	4	110.8265	0.780	24	109.4676	3.704	52	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:3:4:4:	4:4:1:1:	4:4:4:4:	C[5]-4:Si[5]-3:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](C[5]C[5]HH)(Si[5]C[5]N)(SiC3)2	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	Si(C[5]Si[5]C[5]Si)(CH3)3	C[5](C[5]C[5]HH)(Si[5]C[5]N)(SiC3)2{2|Si<4>,2|H<1>}	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|N<2>}	Si(C[5]Si[5]C[5]Si)(CH3)3	110.9571	0.797	16	110.9571	0.635	16	110.8265	0.780	24	109.4676	3.704	52	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:3:4:4:	4:4:1:1:	4:4:4:4:	C[5]-4:Si[5]-3:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](C[5]C[5]HH)(Si[5]C[5]S)(SiC3)2	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	Si(C[5]Si[5]C[5]Si)(CH3)3	C[5](C[5]C[5]HH)(Si[5]C[5]S)(SiC3)2{2|Si<4>,2|H<1>}	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|S<1>}	Si(C[5]Si[5]C[5]Si)(CH3)3	110.9485	0.277	4	110.9485	0.077	4	110.8265	0.780	24	109.4676	3.704	52	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:3:1:	4:3:1:1:	3:3:4:4:	C[5]-4:Si-4:C[5]-3:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C-4:	C[5](C[5]C[5]HH)(SiC[6a]2C)(C[5]C[5]C)(H)	C[5](C[5]C[5]SiH)(C[5]C[5]H)(H)2	Si(C[6a]C[6a]2)2(C[5]C[5]2H)(CH3)	C[5](C[5]C[5]HH)(SiC[6a]2C)(C[5]C[5]C)(H){2|H<1>}	C[5](C[5]C[5]SiH)(C[5]C[5]H)(H)2{1|C<3>,1|H<1>}	Si(C[6a]C[6a]2)2(C[5]C[5]2H)(CH3)	109.3990	0.000	1	109.3990	0.000	1	109.3990	0.000	1	109.3990	0.000	1	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:3:1:	4:4:1:1:	4:3:3:2:	C[5]-4:Si-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5](C[5]C[5]HH)(SiC[6a]2O)(N[5]C[5]C)(H)	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(H)2	Si(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OH)	C[5](C[5]C[5]HH)(SiC[6a]2O)(N[5]C[5]C)(H){4|H<1>}	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>}	Si(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OH)	114.5630	0.000	1	114.5630	0.000	1	114.5630	0.000	1	114.5630	0.000	1	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:3:1:	4:4:1:1:	4:3:3:4:	C[5]-4:Si-4:N[5]-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:C-4:	C[5](C[5]C[5]HH)(SiC[6a]2C)(N[5]C[5]H)(H)	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(H)2	Si(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(CH3)	C[5](C[5]C[5]HH)(SiC[6a]2C)(N[5]C[5]H)(H){4|H<1>}	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(H)2{3|H<1>}	Si(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(CH3)	116.2100	0.000	1	116.2100	0.000	1	116.2100	0.000	1	116.2100	0.000	1	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:1:	3:4:3:1:	4:1:1:1:	C[5]-4:C[5]-4:Si-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:Cl-1:Cl-1:Cl-1:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(SiCl3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SiH)(C[6a]C[6a]2)(H)	Si(C[5]C[5]2H)(Cl)3	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(SiCl3)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SiH)(C[6a]C[6a]2)(H){2|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	Si(C[5]C[5]2H)(Cl)3	112.5470	0.000	1	112.5470	0.000	1	112.5470	0.000	1	112.5470	0.000	1	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:1:	3:4:4:1:	4:1:1:1:	C[5]-4:C[5]-4:Si-4:H-1:	C[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:Cl-1:Cl-1:Cl-1:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(SiCl3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SiH)(CSiHH)(H)	Si(C[5]C[5]2H)(Cl)3	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(SiCl3)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SiH)(CSiHH)(H){1|Cl<1>,1|H<1>,3|C<3>}	Si(C[5]C[5]2H)(Cl)3	110.1490	0.000	1	110.1490	0.000	1	110.1490	0.000	1	110.1490	0.000	1	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:1:	4:2:1:1:	4:3:3:3:	C[5,5]-4:C[5]-4:Si-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:C[6a]-3:	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(SiC[6a]3)(H)	C[5](C[5]C[5,5]SiH)(O[5]C[5])(H)2	Si(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)3	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(SiC[6a]3)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]SiH)(O[5]C[5])(H)2{1|O<1>,2|C<4>}	Si(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)3	109.9180	0.000	1	109.9180	0.000	1	109.9180	0.000	1	109.9180	0.000	1	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:1:	4:2:1:1:	4:3:4:4:	C[5,5]-4:C[5]-4:Si-4:H-1:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:C[6a]-3:C-4:C-4:	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(SiC[6a]CC)(H)	C[5](C[5]C[5,5]SiH)(O[5]C[5])(H)2	Si(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(CH3)2	C[5](C[5,5]C[5]3)(C[5]O[5]HH)(SiC[6a]CC)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]SiH)(O[5]C[5])(H)2{1|O<1>,2|C<4>}	Si(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(CH3)2	110.3500	0.333	4	110.3500	0.111	4	110.3500	0.111	4	110.3500	0.111	4	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:1:	4:2:4:1:	3:4:4:4:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[6a]-3:C[5]-4:C-4:C-4:	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(SiC[6a]CC)(H)	C[5](C[5]C[5]SiH)(O[5]C[5,5])(CCHH)(H)	Si(C[6a]C[6a]2)(C[5]C[5]2H)(CH3)2	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(SiC[6a]CC)(H){2|C<3>}	C[5](C[5]C[5]SiH)(O[5]C[5,5])(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	Si(C[6a]C[6a]2)(C[5]C[5]2H)(CH3)2	116.0700	0.516	2	116.0700	0.266	2	116.0700	0.266	2	116.0700	0.266	2	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:1:	4:2:4:1:	4:3:4:4:	C[5,6]-4:C[5]-4:Si-4:H-1:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C[6a]-3:C-4:C-4:	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CH)(SiC[6a]CC)(H)	C[5](C[5]C[5,6]SiH)(O[5]C[5,6])(CCHO)(H)	Si(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CH3)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CH)(SiC[6a]CC)(H){2|H<1>,3|C<4>}	C[5](C[5]C[5,6]SiH)(O[5]C[5,6])(CCHO)(H){1|H<1>,3|C<4>}	Si(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CH3)2	115.1370	0.000	1	115.1370	0.000	1	115.1370	0.000	1	115.1370	0.000	1	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:1:	4:3:1:1:	3:3:4:4:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(SiC[6a]2C)(H)	C[5](C[5]C[5]SiH)(N[5]C[5]S)(H)2	Si(C[6a]C[6a]2)2(C[5]C[5]2H)(CC3)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(SiC[6a]2C)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]SiH)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	Si(C[6a]C[6a]2)2(C[5]C[5]2H)(CC3)	114.0040	0.245	2	114.0040	0.060	2	114.7587	1.738	3	114.7587	1.738	3	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:1:	4:3:1:1:	3:3:4:4:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(SiC[6a]2C)(H)	C[5](C[5]C[5]SiH)(N[5]C[5]S)(H)2	Si(C[6a]C[6a]2)2(C[5]C[5]2H)(CC3)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(SiC[6a]2C)(H){1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]SiH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	Si(C[6a]C[6a]2)2(C[5]C[5]2H)(CC3)	116.2680	0.000	1	116.2680	0.000	1	114.7587	1.738	3	114.7587	1.738	3	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:1:	4:3:1:1:	3:4:4:4:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C-4:C-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(SiC[6a]CC)(H)	C[5](C[5]C[5]SiH)(C[5]N[5]O)(H)2	Si(C[6a]C[6a]2)(C[5]C[5]2H)(CCCH)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(SiC[6a]CC)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]SiH)(C[5]N[5]O)(H)2{1|C<4>,2|H<1>}	Si(C[6a]C[6a]2)(C[5]C[5]2H)(CCCH)2	112.6630	0.000	1	112.6630	0.000	1	114.2310	4.917	2	114.2310	4.917	2	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:1:	4:3:1:1:	3:4:4:4:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:C-4:C-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(SiC[6a]CC)(H)	C[5](C[5]C[5]SiH)(C[5]N[5]O)(H)2	Si(C[6a]C[6a]2)(C[5]C[5]2H)(CH3)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(SiC[6a]CC)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]SiH)(C[5]N[5]O)(H)2{1|C<2>,2|H<1>}	Si(C[6a]C[6a]2)(C[5]C[5]2H)(CH3)2	115.7990	0.000	1	115.7990	0.000	1	114.2310	4.917	2	114.2310	4.917	2	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:1:	4:3:2:1:	3:4:4:4:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:N[5]-3:C-2:H-1:	C[6a]-3:C[5]-4:C-4:C-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(SiC[6a]CC)(H)	C[5](C[5]C[5]SiH)(N[5]C[5]H)(CN)(H)	Si(C[6a]C[6a]2)(C[5]C[5]2H)(CH3)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(SiC[6a]CC)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]SiH)(N[5]C[5]H)(CN)(H){1|O<1>,2|H<1>}	Si(C[6a]C[6a]2)(C[5]C[5]2H)(CH3)2	115.6840	0.000	1	115.6840	0.000	1	115.6840	0.000	1	115.6840	0.000	1	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:1:	4:3:3:1:	3:4:4:4:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[5]-4:C-4:C-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(SiC[6a]CC)(H)	C[5](C[5]C[5]SiH)(C[6a]C[6a]2)(N[5]C[5]C)(H)	Si(C[6a]C[6a]2)(C[5]C[5]2H)(CH3)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(SiC[6a]CC)(H){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5]SiH)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	Si(C[6a]C[6a]2)(C[5]C[5]2H)(CH3)2	111.5160	0.000	2	111.5160	0.000	2	111.5160	0.000	2	113.2905	4.438	4	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:1:	4:3:3:1:	3:4:4:4:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:C-4:C-4:	C[5](C[5]C[5]CC)(C[5]N[5]CH)(SiC[6a]CC)(H)	C[5](C[5]C[5]SiH)(N[5]C[5]H)(COO)(H)	Si(C[6a]C[6a]2)(C[5]C[5]2H)(CH3)2	C[5](C[5]C[5]CC)(C[5]N[5]CH)(SiC[6a]CC)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]SiH)(N[5]C[5]H)(COO)(H){1|H<1>,3|C<3>}	Si(C[6a]C[6a]2)(C[5]C[5]2H)(CH3)2	115.0650	0.847	2	115.0650	0.718	2	115.0650	0.718	2	113.2905	4.438	4	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:1:	4:3:4:1:	3:3:4:4:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C-4:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(SiC[6a]2C)(H)	C[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]N[5]HH)(H)	Si(C[6a]C[6a]2)2(C[5]C[5]2H)(CC3)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(SiC[6a]2C)(H){1|S<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,4|H<1>}	Si(C[6a]C[6a]2)2(C[5]C[5]2H)(CC3)	113.3980	0.000	1	113.3980	0.000	1	113.3980	0.000	1	113.3980	0.000	1	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:1:	4:3:4:1:	3:4:4:4:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C-4:C-4:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(SiC[6a]CC)(H)	C[5](C[5]C[5]SiH)(C[5]N[5]O)(CC[6a]HO)(H)	Si(C[6a]C[6a]2)(C[5]C[5]2H)(CH3)2	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(SiC[6a]CC)(H){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5]SiH)(C[5]N[5]O)(CC[6a]HO)(H){1|C<3>,1|C<4>,1|H<1>}	Si(C[6a]C[6a]2)(C[5]C[5]2H)(CH3)2	111.2840	0.000	2	111.2840	0.000	2	111.2840	0.000	2	112.9253	8.082	3	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:1:	4:3:4:1:	3:4:4:4:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C-4:C-4:	C[5](C[5]C[5]HH)(C[5]N[5]CH)(SiC[6a]CC)(H)	C[5](C[5]C[5]SiH)(N[5]C[5]H)(CHHN)(H)	Si(C[6a]C[6a]2)(C[5]C[5]2H)(CCCH)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(SiC[6a]CC)(H){1|H<1>,1|O<1>}	C[5](C[5]C[5]SiH)(N[5]C[5]H)(CHHN)(H){1|O<1>,2|H<1>}	Si(C[6a]C[6a]2)(C[5]C[5]2H)(CCCH)2	116.2080	0.000	1	116.2080	0.000	1	116.2080	0.000	1	112.9253	8.082	3	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:1:	4:3:4:1:	4:4:4:4:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:C[5]-3:Si-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](C[5]Si[5]SiH)(C[5]C[5]SiH)(SiC3)(H)	C[5](C[5]C[5]SiH)(C[5]Si[5]C)(SiC3)(H)	Si(C[5]C[5]2H)(CH3)3	C[5](C[5]Si[5]SiH)(C[5]C[5]SiH)(SiC3)(H){1|C<3>,1|C<4>,1|O<2>}	C[5](C[5]C[5]SiH)(C[5]Si[5]C)(SiC3)(H){1|Si<4>,1|C<4>,1|H<1>,1|O<2>}	Si(C[5]C[5]2H)(CH3)3	111.0320	2.223	2	111.0320	4.942	2	111.0320	4.942	2	111.0320	4.942	2	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:1:	4:4:1:1:	3:3:4:4:	C[5]-4:C[5]-4:Si-4:H-1:	C[3x5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C-4:	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(SiC[6a]2C)(H)	C[5](C[3x5]C[5,5]2C[5])(C[5]C[5]SiH)(H)2	Si(C[6a]C[6a]2)2(C[5]C[5]2H)(CC3)	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(SiC[6a]2C)(H){1|C<3>,3|C<4>}	C[5](C[3x5]C[5,5]2C[5])(C[5]C[5]SiH)(H)2{1|C<3>,4|H<1>,5|C<4>}	Si(C[6a]C[6a]2)2(C[5]C[5]2H)(CC3)	118.1940	0.000	1	118.1940	0.000	1	118.1940	0.000	1	116.3370	6.897	2	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:1:	4:4:1:1:	3:3:4:4:	C[5]-4:C[5]-4:Si-4:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C-4:	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(SiC[6a]2C)(H)	C[5](C[5,5]C[3x5]C[5]C)(C[5]C[5]SiH)(H)2	Si(C[6a]C[6a]2)2(C[5]C[5]2H)(CC3)	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(SiC[6a]2C)(H){1|C<3>,3|C<4>}	C[5](C[5,5]C[3x5]C[5]C)(C[5]C[5]SiH)(H)2{1|O<1>,2|H<1>,3|C<4>}	Si(C[6a]C[6a]2)2(C[5]C[5]2H)(CC3)	114.4800	0.000	1	114.4800	0.000	1	114.4800	0.000	1	116.3370	6.897	2	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:1:	4:4:1:1:	4:2:2:1:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O-2:O-2:O-1:	C[5](C[5]C[5]HH)2(SiO3)(H)	C[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)2	Si(C[5]C[5]2H)(OSi)2(O)	C[5](C[5]C[5]HH)2(SiO3)(H){4|H<1>}	C[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)2{4|H<1>}	Si(C[5]C[5]2H)(OSi)2(O)	113.8552	2.145	4	113.8552	4.601	4	113.8552	4.601	4	113.8552	4.601	4	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:1:	4:4:1:1:	4:2:2:2:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O-2:O-2:O-2:	C[5](C[5]C[5]HH)2(SiO3)(H)	C[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)2	Si(C[5]C[5]2H)(OPd)(OSi)2	C[5](C[5]C[5]HH)2(SiO3)(H){4|H<1>}	C[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)2{4|H<1>}	Si(C[5]C[5]2H)(OPd)(OSi)2	116.5425	0.818	2	116.5425	0.669	2	114.6102	2.501	40	114.6102	2.501	40	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:1:	4:4:1:1:	4:2:2:2:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O-2:O-2:O-2:	C[5](C[5]C[5]HH)2(SiO3)(H)	C[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)2	Si(C[5]C[5]2H)(OPt)(OSi)2	C[5](C[5]C[5]HH)2(SiO3)(H){4|H<1>}	C[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)2{4|H<1>}	Si(C[5]C[5]2H)(OPt)(OSi)2	114.8920	0.000	1	114.8920	0.000	1	114.6102	2.501	40	114.6102	2.501	40	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:1:	4:4:1:1:	4:2:2:2:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O-2:O-2:O-2:	C[5](C[5]C[5]HH)2(SiO3)(H)	C[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)2	Si(C[5]C[5]2H)(OSi)2(OH)	C[5](C[5]C[5]HH)2(SiO3)(H){4|H<1>}	C[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)2{4|H<1>}	Si(C[5]C[5]2H)(OSi)2(OH)	115.2523	1.974	4	115.2523	3.896	4	114.6102	2.501	40	114.6102	2.501	40	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:1:	4:4:1:1:	4:2:2:2:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O-2:O-2:O-2:	C[5](C[5]C[5]HH)2(SiO3)(H)	C[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)2	Si(C[5]C[5]2H)(OSi)3	C[5](C[5]C[5]HH)2(SiO3)(H){4|H<1>}	C[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)2{4|H<1>}	Si(C[5]C[5]2H)(OSi)3	114.4067	1.527	33	114.4067	2.331	33	114.6102	2.501	40	114.6102	2.501	40	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:1:	4:4:1:1:	4:3:3:2:	C[5]-4:N[5]-4:Si-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(SiC[6a]2O)(H)	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(H)2	Si(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OH)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(SiC[6a]2O)(H){4|H<1>}	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(H)2{4|H<1>}	Si(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OH)	114.1210	3.012	2	114.1210	9.074	2	114.1210	9.074	2	114.1210	9.074	2	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:1:	4:4:1:1:	4:3:3:3:	C[5]-4:N[5]-4:Si-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:C[6a]-3:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(SiC[6a]3)(H)	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(H)2	Si(C[5]C[5]N[5]H)(C[6a]C[6a]2)3	C[5](C[5]C[5]HH)(N[5]C[5]HH)(SiC[6a]3)(H){4|H<1>}	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(H)2{4|H<1>}	Si(C[5]C[5]N[5]H)(C[6a]C[6a]2)3	114.6550	0.000	1	114.6550	0.000	1	114.6550	0.000	1	114.6550	0.000	1	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:1:	4:4:1:1:	4:3:3:4:	C[5]-4:N[5]-4:Si-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[6a]-3:C[6a]-3:C-4:	C[5](C[5]C[5]HH)(N[5]C[5]HH)(SiC[6a]2C)(H)	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(H)2	Si(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(CC3)	C[5](C[5]C[5]HH)(N[5]C[5]HH)(SiC[6a]2C)(H){4|H<1>}	C[5](C[5]N[5]SiH)(C[5]C[5]HH)(H)2{4|H<1>}	Si(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(CC3)	115.0240	0.000	1	115.0240	0.000	1	115.0240	0.000	1	115.0240	0.000	1	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:1:	4:4:1:1:	4:4:2:2:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-2:O-2:	C[5](C[5]C[5]HH)2(SiC[5]OO)(H)	C[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)2	Si(C[5]C[5]2H)2(OH)2	C[5](C[5]C[5]HH)2(SiC[5]OO)(H){4|H<1>}	C[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)2{4|H<1>}	Si(C[5]C[5]2H)2(OH)2	115.4210	0.488	4	115.4210	0.238	4	115.4210	0.238	4	115.4210	0.238	4	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:1:	4:4:1:1:	4:4:4:4:	B[5]-4:C[5]-4:Si-4:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](B[5]C[6a]2N[5])(C[5]P[5]HH)(SiC3)(H)	C[5](P[5]C[6a]2N[5])(C[5]B[5]SiH)(H)2	Si(C[5]B[5]C[5]H)(CH3)3	C[5](B[5]C[6a]2N[5])(C[5]P[5]HH)(SiC3)(H){1|O<1>,6|C<3>}	C[5](P[5]C[6a]2N[5])(C[5]B[5]SiH)(H)2{1|O<1>,6|C<3>}	Si(C[5]B[5]C[5]H)(CH3)3	106.5290	0.000	1	106.1760	0.249	2	106.1760	0.249	2	109.6597	36.532	3	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:1:	4:4:1:1:	4:4:4:4:	B[5]-4:C[5]-4:Si-4:H-1:	P[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](B[5]C[6a]2N[5])(C[5]P[5]HH)(SiC3)(H)	C[5](P[5]C[6a]2N[5])(C[5]B[5]SiH)(H)2	Si(C[5]B[5]C[5]H)(CH3)3	C[5](B[5]C[6a]2N[5])(C[5]P[5]HH)(SiC3)(H){1|O<2>,6|C<3>}	C[5](P[5]C[6a]2N[5])(C[5]B[5]SiH)(H)2{1|O<2>,6|C<3>}	Si(C[5]B[5]C[5]H)(CH3)3	105.8230	0.000	1	106.1760	0.249	2	106.1760	0.249	2	109.6597	36.532	3	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:1:	4:4:1:1:	4:4:4:4:	C[5,6]-4:C[5]-4:Si-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SiC3)(H)	C[5](C[5]C[5,6]SiH)(C[5]C[5,6]CH)(H)2	Si(C[5]C[5,6]C[5]H)(CCHH)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SiC3)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5](C[5]C[5,6]SiH)(C[5]C[5,6]CH)(H)2{2|C<4>,2|H<1>}	Si(C[5]C[5,6]C[5]H)(CCHH)3	116.6270	0.000	1	116.6270	0.000	1	116.6270	0.000	1	109.6597	36.532	3	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:1:	4:4:2:1:	4:4:4:4:	C[5,5]-4:C[5]-4:Si-4:H-1:	C[5]-4:C[5]-4:C-2:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]CH)(SiC3)(H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]SiH)(CN)(H)	Si(C[5]C[5,5]C[5]H)(CH3)3	C[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]CH)(SiC3)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,5]SiH)(CN)(H){1|C<3>,1|H<1>,2|C<4>}	Si(C[5]C[5,5]C[5]H)(CH3)3	117.0845	0.756	4	117.0845	0.571	4	117.0845	0.571	4	117.0845	0.571	4	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:1:	4:4:3:3:	3:4:4:4:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:C[5]-4:C-3:C-3:	C[6a]-3:C[5]-4:C-4:C-4:	C[5](C[5]C[5]CC)(C[5]N[5]CH)(SiC[6a]CC)(H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]SiH)(COO)2	Si(C[6a]C[6a]2)(C[5]C[5]2H)(CH3)2	C[5](C[5]C[5]CC)(C[5]N[5]CH)(SiC[6a]CC)(H){1|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]SiH)(COO)2{2|H<1>,3|C<3>}	Si(C[6a]C[6a]2)(C[5]C[5]2H)(CH3)2	123.2095	0.390	2	123.2095	0.152	2	123.2095	0.152	2	123.2095	0.152	2	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:1:	4:4:4:1:	3:3:4:4:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:C-4:	C[5](C[5]C[5]CH)(C[5]N[5]HH)(SiC[6a]2C)(H)	C[5](C[5]C[5]SiH)(C[5]N[5]HH)(CC[6a]HH)(H)	Si(C[6a]C[6a]2)2(C[5]C[5]2H)(CC3)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(SiC[6a]2C)(H){1|S<4>,2|H<1>}	C[5](C[5]C[5]SiH)(C[5]N[5]HH)(CC[6a]HH)(H){1|S<4>,2|H<1>}	Si(C[6a]C[6a]2)2(C[5]C[5]2H)(CC3)	113.3265	0.344	2	113.3265	0.119	2	113.3265	0.119	2	113.3265	0.119	2	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:1:	4:4:4:1:	3:4:4:4:	C[5]-4:C[5]-4:Si-4:H-1:	C[5,5]-4:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:C-4:C-4:	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(SiC[6a]CC)(H)	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]SiH)(CH3)(H)	Si(C[6a]C[6a]2)(C[5]C[5]2H)(CH3)2	C[5](C[5]C[5,5]CH)(C[5]O[5]CH)(SiC[6a]CC)(H){2|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]SiH)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	Si(C[6a]C[6a]2)(C[5]C[5]2H)(CH3)2	115.6475	0.532	2	115.6475	0.284	2	115.6475	0.284	2	115.6475	0.284	2	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:1:	4:4:4:1:	4:4:4:3:	C[5,6]-4:C[5]-4:Si-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:C-3:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH)(SiC3)(H)	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]SiH)(CH3)(H)	Si(C[5]C[5,6]C[5]H)(CH3)2(CCH)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH)(SiC3)(H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]SiH)(CH3)(H){2|H<1>,3|C<4>}	Si(C[5]C[5,6]C[5]H)(CH3)2(CCH)	121.6620	0.000	1	121.6620	0.000	1	121.6620	0.000	1	121.6620	0.000	1	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5,6]-4:C[5]-4:Si-4:H-1:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH)(SiC3)(H)	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]SiH)(CH3)(H)	Si(C[5]C[5,6]C[5]H)(CH3)3	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]CH)(SiC3)(H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]SiH)(CH3)(H){2|H<1>,3|C<4>}	Si(C[5]C[5,6]C[5]H)(CH3)3	121.4550	0.000	1	121.4550	0.000	1	121.4550	0.000	1	116.3448	17.782	5	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:Si[5]-4:Si-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](C[5]Si[5]SiH)(C[5]C[5]SiH)(SiC3)(H)	C[5](C[5]C[5]SiH)(Si[5]C[5]CO)(SiC3)(H)	Si(C[5]C[5]2H)(CH3)3	C[5](C[5]Si[5]SiH)(C[5]C[5]SiH)(SiC3)(H){1|C<3>,1|C<4>,1|O<2>}	C[5](C[5]C[5]SiH)(Si[5]C[5]CO)(SiC3)(H){1|Si<4>,1|C<3>,1|H<1>}	Si(C[5]C[5]2H)(CH3)3	112.1255	1.860	2	112.1255	3.461	2	112.1255	3.461	2	116.3448	17.782	5	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:1:	4:4:4:1:	4:4:4:4:	C[5]-4:Si[5]-4:Si-4:H-1:	C[5]-4:C[5]-4:Si-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](C[5]C[5]SiH)(Si[5]C[5]CO)(SiC3)(H)	C[5](C[5]Si[5]SiH)(C[5]C[5]SiH)(SiC3)(H)	Si(C[5]Si[5]C[5]H)(CH3)3	C[5](C[5]C[5]SiH)(Si[5]C[5]CO)(SiC3)(H){1|Si<4>,1|C<3>,1|H<1>}	C[5](C[5]Si[5]SiH)(C[5]C[5]SiH)(SiC3)(H){1|C<3>,1|C<4>,1|O<2>}	Si(C[5]Si[5]C[5]H)(CH3)3	118.0090	0.638	2	118.0090	0.407	2	118.0090	0.407	2	116.3448	17.782	5	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:2:	4:3:4:1:	4:4:4:4:	C[5]-4:C[5]-4:Si-4:O-2:	C[5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SiC3)(OC)	C[5](C[5]C[5]SiO)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	Si(C[5]C[5]2O)(CH3)3	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SiC3)(OC){2|C<3>,4|H<1>}	C[5](C[5]C[5]SiO)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<3>,6|H<1>}	Si(C[5]C[5]2O)(CH3)3	123.4560	0.000	1	123.4560	0.000	1	123.4560	0.000	1	123.4560	0.000	1	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:2:	4:4:1:1:	4:4:4:4:	C[5]-4:C[5]-4:Si-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SiC3)(OC)	C[5](C[5]C[5]SiO)(C[5]C[5]HH)(H)2	Si(C[5]C[5]2O)(CH3)3	C[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SiC3)(OC){2|C<3>,4|H<1>}	C[5](C[5]C[5]SiO)(C[5]C[5]HH)(H)2{1|C<3>,3|H<1>}	Si(C[5]C[5]2O)(CH3)3	109.9110	0.000	1	109.9110	0.000	1	109.9110	0.000	1	109.9110	0.000	1	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:4:	4:3:1:1:	4:4:4:4:	Si[5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5]C[3]C[5]O)(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[5]Si2)(C[5]C[5]H)(H)2	Si(C[5]Si[5]C[5]Si)(CH3)3	C[5](Si[5]C[3]C[5]O)(C[5]C[5]HH)(SiC3)2{1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]Si[5]Si2)(C[5]C[5]H)(H)2{1|Si<4>,1|C<3>,1|O<2>}	Si(C[5]Si[5]C[5]Si)(CH3)3	108.7955	2.821	2	108.7955	7.956	2	108.7955	7.956	2	108.7955	7.956	2	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:4:	4:3:2:1:	3:4:4:4:	C[5]-4:C[5]-4:Si-4:C-4:	C[5]-4:N[5]-3:O-2:H-1:	C[6a]-3:C[5]-4:C-4:C-4:	C[5](C[5]C[5]CH)(C[5]N[5]HO)(SiC[6a]CC)(CH3)	C[5](C[5]C[5]SiC)(N[5]C[5]H)(OSi)(H)	Si(C[6a]C[6a]2)(C[5]C[5]2C)(CH3)2	C[5](C[5]C[5]CH)(C[5]N[5]HO)(SiC[6a]CC)(CH3){1|H<1>,1|O<1>}	C[5](C[5]C[5]SiC)(N[5]C[5]H)(OSi)(H){1|C<4>,1|H<1>,1|O<1>}	Si(C[6a]C[6a]2)(C[5]C[5]2C)(CH3)2	110.8960	0.000	1	110.8960	0.000	1	110.8960	0.000	1	110.8960	0.000	1	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:4:	4:3:4:1:	3:4:4:4:	C[5]-4:C[5]-4:Si-4:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C-4:C-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(SiC[6a]CC)(CH3)	C[5](C[5]C[5]SiC)(C[5]N[5]O)(CH3)(H)	Si(C[6a]C[6a]2)(C[5]C[5]2C)(CCCH)2	C[5](C[5]C[5]CH)(C[5]N[5]CH)(SiC[6a]CC)(CH3){1|C<3>,1|O<1>}	C[5](C[5]C[5]SiC)(C[5]N[5]O)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	Si(C[6a]C[6a]2)(C[5]C[5]2C)(CCCH)2	110.9940	0.000	1	110.9940	0.000	1	109.7080	3.308	2	109.0043	3.139	3	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:4:	4:3:4:1:	3:4:4:4:	C[5]-4:C[5]-4:Si-4:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C-4:C-4:	C[5](C[5]C[5]CH)(C[5]N[5]HO)(SiC[6a]CC)(CH3)	C[5](C[5]C[5]SiC)(C[5]N[5]O)(CH3)(H)	Si(C[6a]C[6a]2)(C[5]C[5]2C)(CH3)2	C[5](C[5]C[5]CH)(C[5]N[5]HO)(SiC[6a]CC)(CH3){1|H<1>,1|O<1>}	C[5](C[5]C[5]SiC)(C[5]N[5]O)(CH3)(H){1|O<2>,2|H<1>}	Si(C[6a]C[6a]2)(C[5]C[5]2C)(CH3)2	108.4220	0.000	1	108.4220	0.000	1	109.7080	3.308	2	109.0043	3.139	3	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:4:	4:3:4:1:	3:4:4:4:	C[5]-4:C[5]-4:Si-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C-4:C-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(SiC[6a]CC)(CH3)	C[5](C[5]C[5]SiC)(N[5]C[5]C)(CHHO)(H)	Si(C[6a]C[6a]2)(C[5]C[5]2C)(CCCH)2	C[5](C[5]C[5]CH)(C[5]N[5]CH)(SiC[6a]CC)(CH3){1|C<3>,1|O<1>}	C[5](C[5]C[5]SiC)(N[5]C[5]C)(CHHO)(H){1|C<4>,1|H<1>,1|O<1>}	Si(C[6a]C[6a]2)(C[5]C[5]2C)(CCCH)2	107.5970	0.000	1	107.5970	0.000	1	107.5970	0.000	1	109.0043	3.139	3	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:4:	4:3:4:1:	4:4:4:4:	C[5]-4:C[5]-4:Si-4:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(SiC3)(CH3)	C[5](C[5]C[5]SiC)(C[5]N[5]O)(CH3)(H)	Si(C[5]C[5]2C)(CC[6a]CC)(CH3)2	C[5](C[5]C[5]CH)(C[5]N[5]CH)(SiC3)(CH3){1|H<1>,1|O<1>}	C[5](C[5]C[5]SiC)(C[5]N[5]O)(CH3)(H){1|C<4>,2|H<1>}	Si(C[5]C[5]2C)(CC[6a]CC)(CH3)2	114.9530	0.000	1	114.9530	0.000	1	114.9530	0.000	1	115.0700	0.027	2	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:4:	4:3:4:1:	4:4:4:4:	C[5]-4:C[5]-4:Si-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](C[5]C[5]CH)(C[5]N[5]CH)(SiC3)(CH3)	C[5](C[5]C[5]SiC)(N[5]C[5]H)(CH3)(H)	Si(C[5]C[5]2C)(CC[6a]CC)(CH3)2	C[5](C[5]C[5]CH)(C[5]N[5]CH)(SiC3)(CH3){1|H<1>,1|O<1>}	C[5](C[5]C[5]SiC)(N[5]C[5]H)(CH3)(H){1|C<4>,1|H<1>,1|O<1>}	Si(C[5]C[5]2C)(CC[6a]CC)(CH3)2	115.1870	0.000	1	115.1870	0.000	1	115.1870	0.000	1	115.0700	0.027	2	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:4:	4:4:1:1:	4:4:4:4:	Ge[5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](Ge[5]C[5]OO)(C[5]C[5]HH)(SiC3)2	C[5](C[5]Ge[5]Si2)(C[5]C[5]HH)(H)2	Si(C[5]Ge[5]C[5]Si)(CH3)3	C[5](Ge[5]C[5]OO)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	C[5](C[5]Ge[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,2|O<2>}	Si(C[5]Ge[5]C[5]Si)(CH3)3	105.3265	0.701	4	105.3265	0.491	4	105.3265	0.491	4	108.2397	4.829	193	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:4:	4:4:1:1:	4:4:4:4:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](Si[3,5]C[3,5]N[3,5]C[5])(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2	Si(C[5]Si[3,5]C[5]Si)(CH3)3	C[5](Si[3,5]C[3,5]N[3,5]C[5])(C[5]C[5]HH)(SiC3)2{3|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<4>,1|N<3>}	Si(C[5]Si[3,5]C[5]Si)(CH3)3	106.8590	1.557	8	106.8590	2.425	8	108.2471	2.337	55	108.2397	4.829	193	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:4:	4:4:1:1:	4:4:4:4:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](Si[3,5]C[3,6,6]C[5]O[3])(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2	Si(C[5]Si[3,5]C[5]Si)(CH3)3	C[5](Si[3,5]C[3,6,6]C[5]O[3])(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|C<4>,2|H<1>}	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<4>,1|O<2>}	Si(C[5]Si[3,5]C[5]Si)(CH3)3	108.1488	1.997	4	108.1488	3.988	4	108.2471	2.337	55	108.2397	4.829	193	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:4:	4:4:1:1:	4:4:4:4:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](Si[3,5]C[3,6]N[3,6]C[5])(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2	Si(C[5]Si[3,5]C[5]Si)(CH3)3	C[5](Si[3,5]C[3,6]N[3,6]C[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<4>,1|N<3>}	Si(C[5]Si[3,5]C[5]Si)(CH3)3	108.7280	1.577	8	108.7280	2.488	8	108.2471	2.337	55	108.2397	4.829	193	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:4:	4:4:1:1:	4:4:4:4:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](Si[3,5]C[3]2C[5])(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2	Si(C[5]Si[3,5]C[5]Si)(CH3)3	C[5](Si[3,5]C[3]2C[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|C<3>,4|H<1>}	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,2|C<4>}	Si(C[5]Si[3,5]C[5]Si)(CH3)3	108.4155	0.749	4	108.4155	0.561	4	108.2471	2.337	55	108.2397	4.829	193	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:4:	4:4:1:1:	4:4:4:4:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](Si[3,5]C[3]C[5]N[3])(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2	Si(C[5]Si[3,5]C[5]Si)(CH3)3	C[5](Si[3,5]C[3]C[5]N[3])(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|C<3>,3|H<1>}	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<4>,1|N<3>}	Si(C[5]Si[3,5]C[5]Si)(CH3)3	109.4832	1.257	12	109.4832	1.580	12	108.2471	2.337	55	108.2397	4.829	193	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:4:	4:4:1:1:	4:4:4:4:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](Si[3,5]Si[3]2C[5])(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2	Si(C[5]Si[3,5]C[5]Si)(CH3)3	C[5](Si[3,5]Si[3]2C[5])(C[5]C[5]HH)(SiC3)2{4|Si<4>,2|H<1>}	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2{2|Si<3>,2|Si<4>}	Si(C[5]Si[3,5]C[5]Si)(CH3)3	109.1965	0.908	4	109.1965	0.824	4	108.2471	2.337	55	108.2397	4.829	193	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:4:	4:4:1:1:	4:4:4:4:	Si[3,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](Si[3,5]Si[3]C[3]C[5])(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2	Si(C[5]Si[3,5]C[5]Si)(CH3)3	C[5](Si[3,5]Si[3]C[3]C[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]Si[3,5]Si2)(C[5]C[5]HH)(H)2{3|Si<4>,1|C<3>}	Si(C[5]Si[3,5]C[5]Si)(CH3)3	107.4704	0.840	15	107.4704	0.706	15	108.2471	2.337	55	108.2397	4.829	193	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:4:	4:4:1:1:	4:4:4:4:	Si[3x5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](Si[3x5]C[5,5,6]2C[5])(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[3x5]Si2)(C[5]C[5]HH)(H)2	Si(C[5]Si[3x5]C[5]Si)(CH3)3	C[5](Si[3x5]C[5,5,6]2C[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]Si[3x5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,2|C<4>}	Si(C[5]Si[3x5]C[5]Si)(CH3)3	106.6320	1.151	4	106.6320	1.324	4	106.6320	1.324	4	108.2397	4.829	193	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:4:	4:4:1:1:	4:4:4:4:	Si[4,5,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](Si[4,5,5]Si[4,4,5,5]2C[5])(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[4,5,5]Si2)(C[5]C[5]HH)(H)2	Si(C[5]Si[4,5,5]C[5]Si)(CH3)3	C[5](Si[4,5,5]Si[4,4,5,5]2C[5])(C[5]C[5]HH)(SiC3)2{5|Si<4>,2|H<1>}	C[5](C[5]Si[4,5,5]Si2)(C[5]C[5]HH)(H)2{2|Si<3>,2|Si<4>}	Si(C[5]Si[4,5,5]C[5]Si)(CH3)3	106.2542	1.384	4	106.2542	1.916	4	106.2542	1.916	4	108.2397	4.829	193	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:4:	4:4:1:1:	4:4:4:4:	Si[4,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](Si[4,5]C[4]C[5]O[4])(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2	Si(C[5]Si[4,5]C[5]Si)(CH3)3	C[5](Si[4,5]C[4]C[5]O[4])(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|C<3>,2|H<1>}	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<3>,1|O<2>}	Si(C[5]Si[4,5]C[5]Si)(CH3)3	109.0968	1.535	4	109.0968	2.357	4	107.4753	6.414	44	108.2397	4.829	193	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:4:	4:4:1:1:	4:4:4:4:	Si[4,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](Si[4,5]C[5]O[4]2)(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2	Si(C[5]Si[4,5]C[5]Si)(CH3)3	C[5](Si[4,5]C[5]O[4]2)(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<3>,2|H<1>}	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,2|O<2>}	Si(C[5]Si[4,5]C[5]Si)(CH3)3	109.7330	0.476	4	106.0639	11.780	12	107.4753	6.414	44	108.2397	4.829	193	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:4:	4:4:1:1:	4:4:4:4:	Si[4,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](Si[4,5]C[5]O[4]2)(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2	Si(C[5]Si[4,5]C[5]Si)(CH3)3	C[5](Si[4,5]C[5]O[4]2)(C[5]C[5]HH)(SiC3)2{3|Si<4>,2|H<1>}	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,2|O<2>}	Si(C[5]Si[4,5]C[5]Si)(CH3)3	104.2294	2.622	8	106.0639	11.780	12	107.4753	6.414	44	108.2397	4.829	193	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:4:	4:4:1:1:	4:4:4:4:	Si[4,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](Si[4,5]C[5]S[4]2)(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2	Si(C[5]Si[4,5]C[5]Si)(CH3)3	C[5](Si[4,5]C[5]S[4]2)(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<3>,2|H<1>}	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,2|S<2>}	Si(C[5]Si[4,5]C[5]Si)(CH3)3	110.5100	2.034	4	110.5100	4.135	4	107.4753	6.414	44	108.2397	4.829	193	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:4:	4:4:1:1:	4:4:4:4:	Si[4,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](Si[4,5]Si[4]2C[5])(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2	Si(C[5]Si[4,5]C[5]Si)(CH3)3	C[5](Si[4,5]Si[4]2C[5])(C[5]C[5]HH)(SiC3)2{2|Cl<1>,3|Si<4>,2|H<1>}	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2{2|Si<3>,2|Si<4>}	Si(C[5]Si[4,5]C[5]Si)(CH3)3	107.6633	1.142	4	107.4050	2.407	24	107.4753	6.414	44	108.2397	4.829	193	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:4:	4:4:1:1:	4:4:4:4:	Si[4,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](Si[4,5]Si[4]2C[5])(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2	Si(C[5]Si[4,5]C[5]Si)(CH3)3	C[5](Si[4,5]Si[4]2C[5])(C[5]C[5]HH)(SiC3)2{3|Si<4>,2|H<1>,2|I<1>}	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2{2|Si<3>,2|Si<4>}	Si(C[5]Si[4,5]C[5]Si)(CH3)3	107.8251	0.891	12	107.4050	2.407	24	107.4753	6.414	44	108.2397	4.829	193	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:4:	4:4:1:1:	4:4:4:4:	Si[4,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](Si[4,5]Si[4]2C[5])(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2	Si(C[5]Si[4,5]C[5]Si)(CH3)3	C[5](Si[4,5]Si[4]2C[5])(C[5]C[5]HH)(SiC3)2{3|Si<4>,2|H<1>}	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2{2|Si<2>,2|Si<4>}	Si(C[5]Si[4,5]C[5]Si)(CH3)3	108.2482	1.091	4	107.4050	2.407	24	107.4753	6.414	44	108.2397	4.829	193	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:4:	4:4:1:1:	4:4:4:4:	Si[4,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](Si[4,5]Si[4]2C[5])(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2	Si(C[5]Si[4,5]C[5]Si)(CH3)3	C[5](Si[4,5]Si[4]2C[5])(C[5]C[5]HH)(SiC3)2{3|Si<4>,4|Cl<1>,2|H<1>}	C[5](C[5]Si[4,5]Si2)(C[5]C[5]HH)(H)2{4|Si<4>}	Si(C[5]Si[4,5]C[5]Si)(CH3)3	105.0435	1.967	4	107.4050	2.407	24	107.4753	6.414	44	108.2397	4.829	193	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:4:	4:4:1:1:	4:4:4:4:	Si[5,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5,5]C[5,5]N[5]Si)(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[5,5]Si2)(C[5]C[5,5]HH)(H)2	Si(C[5]Si[5,5]C[5]Si)(CH3)3	C[5](Si[5,5]C[5,5]N[5]Si)(C[5]C[5]HH)(SiC3)2{1|Si<4>,1|C<3>,1|N<2>,3|H<1>}	C[5](C[5]Si[5,5]Si2)(C[5]C[5,5]HH)(H)2{2|Si<4>,1|C<3>,1|N<3>}	Si(C[5]Si[5,5]C[5]Si)(CH3)3	107.9205	0.586	2	107.9205	0.344	2	109.6476	3.331	22	108.2397	4.829	193	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:4:	4:4:1:1:	4:4:4:4:	Si[5,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[5,5]Si2)(C[5]C[5]HH)(H)2	Si(C[5]Si[5,5]C[5]Si)(CH3)3	C[5](Si[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,3|C<3>,3|H<1>}	C[5](C[5]Si[5,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<4>,1|O<2>}	Si(C[5]Si[5,5]C[5]Si)(CH3)3	110.1220	0.728	4	110.1220	0.529	4	109.6476	3.331	22	108.2397	4.829	193	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:4:	4:4:1:1:	4:4:4:4:	Si[5,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[5,5]Si2)(C[5]C[5]HH)(H)2	Si(C[5]Si[5,5]C[5]Si)(CH3)3	C[5](Si[5,5]C[5,6a]C[5]O[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]Si[5,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<3>,1|O<2>}	Si(C[5]Si[5,5]C[5]Si)(CH3)3	108.7540	1.152	4	108.7540	1.326	4	109.6476	3.331	22	108.2397	4.829	193	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:4:	4:4:1:1:	4:4:4:4:	Si[5,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5,5]C[5]2N[5])(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[5,5]Si2)(C[5]C[5]HH)(H)2	Si(C[5]Si[5,5]C[5]Si)(CH3)3	C[5](Si[5,5]C[5]2N[5])(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]Si[5,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<3>,1|N<2>}	Si(C[5]Si[5,5]C[5]Si)(CH3)3	110.3765	3.385	4	110.3765	11.458	4	109.6476	3.331	22	108.2397	4.829	193	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:4:	4:4:1:1:	4:4:4:4:	Si[5,5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5,5]C[5]S[5]2)(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[5,5]Si2)(C[5]C[5]HH)(H)2	Si(C[5]Si[5,5]C[5]Si)(CH3)3	C[5](Si[5,5]C[5]S[5]2)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>,2|S<2>}	C[5](C[5]Si[5,5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,2|S<2>}	Si(C[5]Si[5,5]C[5]Si)(CH3)3	109.9245	1.553	8	109.9245	2.411	8	109.6476	3.331	22	108.2397	4.829	193	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:4:	4:4:1:1:	4:4:4:4:	Si[5,6]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5,6]C[5,6,6]C[5]O[6])(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[5,6]Si2)(C[5]C[5]HH)(H)2	Si(C[5]Si[5,6]C[5]Si)(CH3)3	C[5](Si[5,6]C[5,6,6]C[5]O[6])(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]Si[5,6]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<4>,1|O<2>}	Si(C[5]Si[5,6]C[5]Si)(CH3)3	106.5520	1.718	4	106.5520	2.950	4	109.7319	9.594	20	108.2397	4.829	193	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:4:	4:4:1:1:	4:4:4:4:	Si[5,6]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5,6]C[5]C[6]2)(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[5,6]Si2)(C[5]C[5]HH)(H)2	Si(C[5]Si[5,6]C[5]Si)(CH3)3	C[5](Si[5,6]C[5]C[6]2)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|C<3>,4|H<1>}	C[5](C[5]Si[5,6]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,2|C<3>}	Si(C[5]Si[5,6]C[5]Si)(CH3)3	110.1822	2.278	8	110.1822	5.188	8	109.7319	9.594	20	108.2397	4.829	193	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:4:	4:4:1:1:	4:4:4:4:	Si[5,6]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5,6]C[5]N[6]O[6])(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[5,6]Si2)(C[5]C[5]HH)(H)2	Si(C[5]Si[5,6]C[5]Si)(CH3)3	C[5](Si[5,6]C[5]N[6]O[6])(C[5]C[5]HH)(SiC3)2{2|Si<4>,1|C<3>,1|N<2>,2|H<1>}	C[5](C[5]Si[5,6]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|N<2>,1|O<2>}	Si(C[5]Si[5,6]C[5]Si)(CH3)3	111.5703	3.782	4	111.5703	14.304	4	109.7319	9.594	20	108.2397	4.829	193	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:4:	4:4:1:1:	4:4:4:4:	Si[5,6]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5,6]C[6,6a]C[5]O[6])(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[5,6]Si2)(C[5]C[5]HH)(H)2	Si(C[5]Si[5,6]C[5]Si)(CH3)3	C[5](Si[5,6]C[6,6a]C[5]O[6])(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>,3|C<3>}	C[5](C[5]Si[5,6]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<3>,1|O<2>}	Si(C[5]Si[5,6]C[5]Si)(CH3)3	110.1728	3.551	4	110.1728	12.612	4	109.7319	9.594	20	108.2397	4.829	193	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:4:	4:4:1:1:	4:4:4:4:	Si[5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5]C[5]CN)(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	Si(C[5]Si[5]C[5]Si)(CH3)3	C[5](Si[5]C[5]CN)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|C<3>,1|N<2>}	Si(C[5]Si[5]C[5]Si)(CH3)3	109.0905	1.678	4	109.0905	2.815	4	108.2005	2.251	40	108.2397	4.829	193	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:4:	4:4:1:1:	4:4:4:4:	Si[5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5]C[5]ClSi)(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	Si(C[5]Si[5]C[5]Si)(CH3)3	C[5](Si[5]C[5]ClSi)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{1|Cl<1>,3|Si<4>}	Si(C[5]Si[5]C[5]Si)(CH3)3	107.3432	1.261	20	107.3432	1.591	20	108.2005	2.251	40	108.2397	4.829	193	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:4:	4:4:1:1:	4:4:4:4:	Si[5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5]C[5]HN)(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	Si(C[5]Si[5]C[5]Si)(CH3)3	C[5](Si[5]C[5]HN)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|H<1>,1|N<3>}	Si(C[5]Si[5]C[5]Si)(CH3)3	108.5660	0.824	4	108.5660	0.679	4	108.2005	2.251	40	108.2397	4.829	193	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:4:	4:4:1:1:	4:4:4:4:	Si[5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5]C[5]OO)(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	Si(C[5]Si[5]C[5]Si)(CH3)3	C[5](Si[5]C[5]OO)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{2|Si<4>,1|O<1>,1|O<2>}	Si(C[5]Si[5]C[5]Si)(CH3)3	109.3748	0.722	4	109.3748	0.522	4	108.2005	2.251	40	108.2397	4.829	193	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:4:	4:4:1:1:	4:4:4:4:	Si[5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5]C[5]SiH)(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	Si(C[5]Si[5]C[5]Si)(CH3)3	C[5](Si[5]C[5]SiH)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{3|Si<4>,1|H<1>}	Si(C[5]Si[5]C[5]Si)(CH3)3	109.3028	1.953	4	109.3028	3.813	4	108.2005	2.251	40	108.2397	4.829	193	110.2175	11.828	488	111.1217	16.979	571
474	474	880	0:SP3_SP3_SP3	C[5]	C[5]	Si	4:4:4:4:	4:4:1:1:	4:4:4:4:	Si[5]-4:C[5]-4:Si-4:Si-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C-4:C-4:C-4:	C[5](Si[5]C[5]SiO)(C[5]C[5]HH)(SiC3)2	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2	Si(C[5]Si[5]C[5]Si)(CH3)3	C[5](Si[5]C[5]SiO)(C[5]C[5]HH)(SiC3)2{2|Si<4>,2|H<1>}	C[5](C[5]Si[5]Si2)(C[5]C[5]HH)(H)2{3|Si<4>,1|O<2>}	Si(C[5]Si[5]C[5]Si)(CH3)3	108.9555	1.004	4	108.9555	1.008	4	108.2005	2.251	40	108.2397	4.829	193	110.2175	11.828	488	111.1217	16.979	571
474	474	882	5:SP3_SP3_SP3	C[3x5,6]	C[3x5,6,6]	P[4,5,5,6,6]	3:4:3:4:	4:4:4:4:	4:4:4:	P[4,5,5,6,6]-3:C[3x5,6,6]-4:C[5,6]-3:C-4:	C[3x5,6]-4:C[5,5,3x6]-4:C[5,5,6,6]-4:C-4:	C[4,5,5,6,6]-4:P[4,5,3x6]-4:C[3x5,6]-4:	C[3x5,6](P[4,5,5,6,6]C[4,5,5,6,6]P[4,5,3x6])(C[3x5,6,6]C[5,5,3x6]C[5,5,6,6]C)(C[5,6]C[5,6]C)(CH3)	C[3x5,6,6](C[3x5,6]P[4,5,5,6,6]C[5,6]C)(C[5,5,3x6]P[4,5,3x6]C[5,6]C)(C[5,5,6,6]C[4,5,5,6,6]C[5]C)(CH3)	P[4,5,5,6,6](C[4,5,5,6,6]C[5,5,6,6]C[4,5,6]C)(P[4,5,3x6]C[5,5,3x6]C[4,5,6]Cl)(C[3x5,6]C[3x5,6,6]C[5,6]C)	C[3x5,6](P[4,5,5,6,6]C[4,5,5,6,6]P[4,5,3x6])(C[3x5,6,6]C[5,5,3x6]C[5,5,6,6]C)(C[5,6]C[5,6]C)(CH3){1|Cl<1>,1|C<3>,5|C<4>}	C[3x5,6,6](C[3x5,6]P[4,5,5,6,6]C[5,6]C)(C[5,5,3x6]P[4,5,3x6]C[5,6]C)(C[5,5,6,6]C[4,5,5,6,6]C[5]C)(CH3){1|Cl<1>,1|C<3>,5|C<4>}	P[4,5,5,6,6](C[4,5,5,6,6]C[5,5,6,6]C[4,5,6]C)(P[4,5,3x6]C[5,5,3x6]C[4,5,6]Cl)(C[3x5,6]C[3x5,6,6]C[5,6]C){3|C<3>,5|C<4>}	102.1180	0.000	1	102.1180	0.000	1	101.8337	0.188	3	101.8337	0.188	3	101.8337	0.188	3	101.8337	0.188	3
474	474	882	5:SP3_SP3_SP3	C[3x5,6]	C[3x5,6,6]	P[4,5,5,6,6]	3:4:3:4:	4:4:4:4:	4:4:4:	P[4,5,5,6,6]-3:C[3x5,6,6]-4:C[5,6]-3:C-4:	C[3x5,6]-4:C[5,5,3x6]-4:C[5,5,6,6]-4:C-4:	C[4,5,5,6,6]-4:P[4,5,3x6]-4:C[3x5,6]-4:	C[3x5,6](P[4,5,5,6,6]C[4,5,5,6,6]P[4,5,3x6])(C[3x5,6,6]C[5,5,3x6]C[5,5,6,6]C)(C[5,6]C[5,6]C)(CH3)	C[3x5,6,6](C[3x5,6]P[4,5,5,6,6]C[5,6]C)(C[5,5,3x6]P[4,5,3x6]C[5,6]C)(C[5,5,6,6]C[4,5,5,6,6]C[5]C)(CH3)	P[4,5,5,6,6](C[4,5,5,6,6]C[5,5,6,6]C[4,5,6]C)(P[4,5,3x6]C[5,5,3x6]C[4,5,6]Ga)(C[3x5,6]C[3x5,6,6]C[5,6]C)	C[3x5,6](P[4,5,5,6,6]C[4,5,5,6,6]P[4,5,3x6])(C[3x5,6,6]C[5,5,3x6]C[5,5,6,6]C)(C[5,6]C[5,6]C)(CH3){1|Ga<4>,1|C<3>,5|C<4>}	C[3x5,6,6](C[3x5,6]P[4,5,5,6,6]C[5,6]C)(C[5,5,3x6]P[4,5,3x6]C[5,6]C)(C[5,5,6,6]C[4,5,5,6,6]C[5]C)(CH3){1|Ga<4>,1|C<3>,5|C<4>}	P[4,5,5,6,6](C[4,5,5,6,6]C[5,5,6,6]C[4,5,6]C)(P[4,5,3x6]C[5,5,3x6]C[4,5,6]Ga)(C[3x5,6]C[3x5,6,6]C[5,6]C){3|C<3>,5|C<4>}	101.3340	0.000	1	101.3340	0.000	1	101.8337	0.188	3	101.8337	0.188	3	101.8337	0.188	3	101.8337	0.188	3
474	474	882	5:SP3_SP3_SP3	C[3x5,6]	C[3x5,6,6]	P[4,5,5,6,6]	3:4:3:4:	4:4:4:4:	4:4:4:	P[4,5,5,6,6]-3:C[3x5,6,6]-4:C[5,6]-3:C-4:	C[3x5,6]-4:C[5,5,3x6]-4:C[5,5,6,6]-4:C-4:	C[4,5,5,6,6]-4:P[4,5,3x6]-4:C[3x5,6]-4:	C[3x5,6](P[4,5,5,6,6]C[4,5,5,6,6]P[4,5,3x6])(C[3x5,6,6]C[5,5,3x6]C[5,5,6,6]C)(C[5,6]C[5,6]C)(CH3)	C[3x5,6,6](C[3x5,6]P[4,5,5,6,6]C[5,6]C)(C[5,5,3x6]P[4,5,3x6]C[5,6]C)(C[5,5,6,6]C[4,5,5,6,6]C[5]C)(CH3)	P[4,5,5,6,6](C[4,5,5,6,6]C[5,5,6,6]C[4,5,6]C)(P[4,5,3x6]C[5,5,3x6]C[4,5,6]I)(C[3x5,6]C[3x5,6,6]C[5,6]C)	C[3x5,6](P[4,5,5,6,6]C[4,5,5,6,6]P[4,5,3x6])(C[3x5,6,6]C[5,5,3x6]C[5,5,6,6]C)(C[5,6]C[5,6]C)(CH3){1|C<3>,1|I<1>,5|C<4>}	C[3x5,6,6](C[3x5,6]P[4,5,5,6,6]C[5,6]C)(C[5,5,3x6]P[4,5,3x6]C[5,6]C)(C[5,5,6,6]C[4,5,5,6,6]C[5]C)(CH3){1|C<3>,1|I<1>,5|C<4>}	P[4,5,5,6,6](C[4,5,5,6,6]C[5,5,6,6]C[4,5,6]C)(P[4,5,3x6]C[5,5,3x6]C[4,5,6]I)(C[3x5,6]C[3x5,6,6]C[5,6]C){3|C<3>,5|C<4>}	102.0490	0.000	1	102.0490	0.000	1	101.8337	0.188	3	101.8337	0.188	3	101.8337	0.188	3	101.8337	0.188	3
474	474	885	5:SP3_SP-NON_SP3	C[5,5,6]	C[5,5]	Ga[5,6]	4:4:3:4:	4:4:3:2:	4:2:1:1:	C[5,5]-4:Ga[5,6]-4:Ga[5,6]-3:Si-4:	C[5,5,6]-4:Ga[5,5,6]-4:C-3:C-2:	C[5,5,6]-4:I[5,6]-2:I-1:I-1:	C[5,5,6](C[5,5]Ga[5,5,6]CC)(Ga[5,6]I[5,6]II)(Ga[5,6]I[5,6]I)(SiC3)	C[5,5](C[5,5,6]Ga[5,6]2Si)(Ga[5,5,6]I[5,6]2I)(CCC)(CC)	Ga[5,6](C[5,5,6]Ga[5,6]C[5,5]Si)(I[5,6]Ga[5,5,6])(I)2	C[5,5,6](C[5,5]Ga[5,5,6]CC)(Ga[5,6]I[5,6]II)(Ga[5,6]I[5,6]I)(SiC3){1|I<1>}	C[5,5](C[5,5,6]Ga[5,6]2Si)(Ga[5,5,6]I[5,6]2I)(CCC)(CC){3|I<1>}	Ga[5,6](C[5,5,6]Ga[5,6]C[5,5]Si)(I[5,6]Ga[5,5,6])(I)2{1|C<2>,1|C<3>,1|I<2>,2|I<1>}	113.5530	0.000	2	113.5530	0.000	2	113.5530	0.000	2	113.5530	0.000	2	113.5530	0.000	2	111.6785	4.685	4
474	474	885	5:SP3_SP-NON_SP3	C[5,5]	C[5,5,6]	Ga[5,5,6]	4:4:3:2:	4:4:3:4:	4:2:2:1:	C[5,5,6]-4:Ga[5,5,6]-4:C-3:C-2:	C[5,5]-4:Ga[5,6]-4:Ga[5,6]-3:Si-4:	C[5,5]-4:I[5,6]-2:I[5,6]-2:I-1:	C[5,5](C[5,5,6]Ga[5,6]2Si)(Ga[5,5,6]I[5,6]2I)(CCC)(CC)	C[5,5,6](C[5,5]Ga[5,5,6]CC)(Ga[5,6]I[5,6]II)(Ga[5,6]I[5,6]I)(SiC3)	Ga[5,5,6](C[5,5]C[5,5,6]CC)(I[5,6]Ga[5,6])2(I)	C[5,5](C[5,5,6]Ga[5,6]2Si)(Ga[5,5,6]I[5,6]2I)(CCC)(CC){3|I<1>}	C[5,5,6](C[5,5]Ga[5,5,6]CC)(Ga[5,6]I[5,6]II)(Ga[5,6]I[5,6]I)(SiC3){1|I<1>}	Ga[5,5,6](C[5,5]C[5,5,6]CC)(I[5,6]Ga[5,6])2(I){1|Si<4>,3|I<1>}	109.8040	0.000	2	109.8040	0.000	2	109.8040	0.000	2	109.8040	0.000	2	109.8040	0.000	2	111.6785	4.685	4
474	474	887	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	S	4:4:3:1:	3:4:4:1:	4:3:1:	C[5,5,6]-4:C[5,5,6]-4:S-3:H-1:	C[5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5]-4:C[6a]-3:O-1:	C[5,5](C[5,5,6]C[5,6]2H)2(SC[6a]O)(H)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HS)(C[5,6]C[5,6]HH)(H)	S(C[5,5]C[5,5,6]2H)(C[6a]C[6a]2)(O)	C[5,5](C[5,5,6]C[5,6]2H)2(SC[6a]O)(H){1|C<3>,5|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HS)(C[5,6]C[5,6]HH)(H){2|C<3>,4|H<1>}	S(C[5,5]C[5,5,6]2H)(C[6a]C[6a]2)(O)	114.8805	1.095	2	114.8805	1.200	2	114.8805	1.200	2	114.8805	1.200	2	114.3090	1.732	4	111.3541	13.998	42
474	474	887	0:SP3_SP3_SP3	C[5,5]	C[5,5,6]	S	4:4:3:1:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,5,6]-4:S-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,5]-4:C[6a]-3:O-1:	C[5,5](C[5,5,6]C[5,6]2H)2(SC[6a]O)(H)	C[5,5,6](C[5,5]C[5,5,6]HS)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	S(C[5,5]C[5,5,6]2H)(C[6a]C[6a]2)(O)	C[5,5](C[5,5,6]C[5,6]2H)2(SC[6a]O)(H){1|C<3>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HS)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	S(C[5,5]C[5,5,6]2H)(C[6a]C[6a]2)(O)	113.7375	1.640	2	113.7375	2.689	2	113.7375	2.689	2	113.7375	2.689	2	114.3090	1.732	4	111.3541	13.998	42
474	474	887	0:SP3_SP3_SP3	C[5,5]	C[5,5]	S	4:3:4:3:	4:3:3:2:	4:4:1:	C[5,5]-4:C[5]-3:S[5]-4:S-3:	C[5,5]-4:C[6a]-3:C[5]-3:O[5]-2:	C[5,5]-4:C-4:O-1:	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]N[5])(S[5]N[5]OO)(SCO)	C[5,5](C[5,5]C[5]S[5]S)(C[6a]C[6a]2)(C[5]N[5]N)(O[5]N[5])	S(C[5,5]C[5,5]C[5]S[5])(CH3)(O)	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]N[5])(S[5]N[5]OO)(SCO){1|N<3>,4|C<3>}	C[5,5](C[5,5]C[5]S[5]S)(C[6a]C[6a]2)(C[5]N[5]N)(O[5]N[5]){2|H<1>,2|O<1>,3|C<3>}	S(C[5,5]C[5,5]C[5]S[5])(CH3)(O)	111.7520	2.191	2	111.7520	4.799	2	111.7520	4.799	2	111.7520	4.799	2	112.8177	8.001	7	111.3541	13.998	42
474	474	887	0:SP3_SP3_SP3	C[5,5]	C[5,5]	S	4:4:3:3:	4:3:3:2:	4:4:1:	C[5,5]-4:S[5]-4:N[5]-3:S-3:	C[5,5]-4:C[6a]-3:C[5]-3:N[5]-2:	C[5,5]-4:C-4:O-1:	C[5,5](C[5,5]C[6a]C[5]N[5])(S[5]N[5]OO)(N[5]N[5]H)(SCO)	C[5,5](C[5,5]N[5]S[5]S)(C[6a]C[6a]2)(C[5]N[5]N)(N[5]N[5])	S(C[5,5]C[5,5]N[5]S[5])(CH3)(O)	C[5,5](C[5,5]C[6a]C[5]N[5])(S[5]N[5]OO)(N[5]N[5]H)(SCO){1|N<3>,2|C<3>}	C[5,5](C[5,5]N[5]S[5]S)(C[6a]C[6a]2)(C[5]N[5]N)(N[5]N[5]){2|C<3>,2|O<1>,3|H<1>}	S(C[5,5]C[5,5]N[5]S[5])(CH3)(O)	113.1190	0.000	1	113.1190	0.000	1	113.1190	0.000	1	113.1190	0.000	1	112.8177	8.001	7	111.3541	13.998	42
474	474	887	0:SP3_SP3_SP3	C[5,5]	C[5,5]	S	4:4:3:3:	4:4:3:1:	4:3:1:	C[5,5]-4:C[5]-4:C[5]-3:S-3:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:O-1:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]O[5]O)(SC[6a]O)	C[5,5](C[5,5]C[5]2S)(C[5]O[5]HO)(C[5]C[5]C)(H)	S(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(O)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]O[5]O)(SC[6a]O){1|C<3>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]2S)(C[5]O[5]HO)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>}	S(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(O)	112.2730	0.000	1	112.2730	0.000	1	113.2890	2.065	2	113.2890	2.065	2	112.8177	8.001	7	111.3541	13.998	42
474	474	887	0:SP3_SP3_SP3	C[5,5]	C[5,5]	S	4:4:3:3:	4:4:3:1:	4:3:1:	C[5,5]-4:C[5]-4:C[5]-3:S-3:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:O-1:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]O)(SC[6a]O)	C[5,5](C[5,5]C[5]2S)(C[5]O[5]HO)(C[5]C[5]C)(H)	S(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(O)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]O)(SC[6a]O){1|C<3>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]2S)(C[5]O[5]HO)(C[5]C[5]C)(H){1|O<1>,3|H<1>}	S(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(O)	114.3050	0.000	1	114.3050	0.000	1	113.2890	2.065	2	113.2890	2.065	2	112.8177	8.001	7	111.3541	13.998	42
474	474	887	0:SP3_SP3_SP3	C[5,5]	C[5,5]	S	4:4:4:3:	4:3:2:1:	4:3:1:	C[5,5]-4:C[5,5]-4:C[5]-4:S-3:	C[5,5]-4:N[5,5]-3:S[5]-2:H-1:	C[5,5]-4:C[6a]-3:O-1:	C[5,5](C[5,5]N[5,5]S[5]H)(C[5,5]C[5]2H)(C[5]O[5]HO)(SC[6a]O)	C[5,5](C[5,5]C[5,5]C[5]S)(N[5,5]C[5]2)(S[5]C[5])(H)	S(C[5,5]C[5,5]2C[5])(C[6a]C[6a]2)(O)	C[5,5](C[5,5]N[5,5]S[5]H)(C[5,5]C[5]2H)(C[5]O[5]HO)(SC[6a]O){1|H<1>,1|O<1>,3|C<3>}	C[5,5](C[5,5]C[5,5]C[5]S)(N[5,5]C[5]2)(S[5]C[5])(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	S(C[5,5]C[5,5]2C[5])(C[6a]C[6a]2)(O)	108.9060	0.000	1	108.9060	0.000	1	108.9060	0.000	1	108.9060	0.000	1	112.8177	8.001	7	111.3541	13.998	42
474	474	887	0:SP3_SP3_SP3	C[5,5]	C[5,5]	S	4:4:4:3:	4:4:3:1:	4:3:1:	C[5,5]-4:C[5,5]-4:C[5]-4:S-3:	C[5,5]-4:C[5]-4:C[5]-3:H-1:	C[5,5]-4:C[6a]-3:O-1:	C[5,5](C[5,5]N[5,5]S[5]H)(C[5,5]C[5]2H)(C[5]O[5]HO)(SC[6a]O)	C[5,5](C[5,5]C[5,5]C[5]S)(C[5]N[5,5]CH)(C[5]O[5]O)(H)	S(C[5,5]C[5,5]2C[5])(C[6a]C[6a]2)(O)	C[5,5](C[5,5]N[5,5]S[5]H)(C[5,5]C[5]2H)(C[5]O[5]HO)(SC[6a]O){1|H<1>,1|O<1>,3|C<3>}	C[5,5](C[5,5]C[5,5]C[5]S)(C[5]N[5,5]CH)(C[5]O[5]O)(H){1|C<3>,1|O<2>,1|S<2>,2|H<1>}	S(C[5,5]C[5,5]2C[5])(C[6a]C[6a]2)(O)	117.6170	0.000	1	117.6170	0.000	1	117.6170	0.000	1	117.6170	0.000	1	112.8177	8.001	7	111.3541	13.998	42
474	474	887	0:SP3_SP3_SP3	C[5,5]	C[5]	S	4:4:3:3:	4:3:1:1:	4:3:1:	C[5,5]-4:C[5]-4:C[5]-3:S-3:	C[5,5]-4:C[5]-3:H-1:H-1:	C[5,5]-4:C[6a]-3:O-1:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]O)(SC[6a]O)	C[5](C[5,5]C[5,5]C[5]S)(C[5]C[5]H)(H)2	S(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(O)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]O)(SC[6a]O){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]S)(C[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	S(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(O)	105.4790	0.000	1	105.4790	0.000	1	105.4790	0.000	1	105.4790	0.000	1	105.4363	0.003	3	111.3541	13.998	42
474	474	887	0:SP3_SP3_SP3	C[5,5]	C[5]	S	4:4:3:3:	4:3:4:1:	4:3:1:	C[5,5]-4:C[5]-4:C[5]-3:S-3:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5,5]-4:C[6a]-3:O-1:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]O[5]O)(SC[6a]O)	C[5](C[5,5]C[5,5]C[5]S)(C[5]C[5]H)(CH3)(H)	S(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(O)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]O[5]O)(SC[6a]O){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]S)(C[5]C[5]H)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	S(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(O)	105.4510	0.000	1	105.4510	0.000	1	105.4510	0.000	1	105.4510	0.000	1	105.4363	0.003	3	111.3541	13.998	42
474	474	887	0:SP3_SP3_SP3	C[5,5]	C[5]	S	4:4:4:3:	4:2:2:1:	4:3:1:	C[5,5]-4:C[5,5]-4:C[5]-4:S-3:	C[5,5]-4:O[5]-2:O-2:H-1:	C[5,5]-4:C[6a]-3:O-1:	C[5,5](C[5,5]N[5,5]S[5]H)(C[5,5]C[5]2H)(C[5]O[5]HO)(SC[6a]O)	C[5](C[5,5]C[5,5]2S)(O[5]C[5])(OC[6])(H)	S(C[5,5]C[5,5]2C[5])(C[6a]C[6a]2)(O)	C[5,5](C[5,5]N[5,5]S[5]H)(C[5,5]C[5]2H)(C[5]O[5]HO)(SC[6a]O){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,5]C[5,5]2S)(O[5]C[5])(OC[6])(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	S(C[5,5]C[5,5]2C[5])(C[6a]C[6a]2)(O)	105.3790	0.000	1	105.3790	0.000	1	105.3790	0.000	1	105.3790	0.000	1	105.4363	0.003	3	111.3541	13.998	42
474	474	887	0:SP3_SP3_SP3	C[5,6,6]	C[5,5,6]	S	4:4:3:3:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:S-3:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:H-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[5,5,6](C[5,6,6]C[5,6,6]C[6]S)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H)	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[5,5,6](C[5,6,6]C[5,6,6]C[6]S)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	S(C[5,6,6]C[5,5,6]C[5,6,6]C[6])(C[6a]C[6a]2)(O)	110.4090	0.000	1	110.4090	0.000	1	110.4090	0.000	1	110.4090	0.000	1	110.4090	0.000	1	111.3541	13.998	42
474	474	887	0:SP3_SP3_SP3	C[5,6,6]	C[5,6,6]	S	4:4:3:3:	4:4:3:4:	4:3:1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:S-3:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:C-4:	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[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)(CH3)	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[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)(CH3){1|O<1>,2|C<3>,5|H<1>}	S(C[5,6,6]C[5,5,6]C[5,6,6]C[6])(C[6a]C[6a]2)(O)	110.3380	0.000	1	110.3380	0.000	1	110.3380	0.000	1	110.3380	0.000	1	110.3380	0.000	1	111.3541	13.998	42
474	474	887	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	S	4:4:3:1:	4:4:4:1:	4:2:1:	C[5,5,6]-4:C[5,6]-4:S-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:N-2:O-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SNO)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HS)(H)	S(C[5,6]C[5,5,6]C[5,6]H)(NC)(O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SNO)(H){2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HS)(H){1|C<4>,1|O<2>,3|H<1>}	S(C[5,6]C[5,5,6]C[5,6]H)(NC)(O)	120.2740	0.000	1	120.2740	0.000	1	120.2740	0.000	1	120.2740	0.000	1	112.8664	37.467	5	111.3541	13.998	42
474	474	887	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	S	4:4:3:1:	4:4:4:1:	4:4:4:	C[5,5,6]-4:C[5,6]-4:S-3:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:H-1:	C[5,6]-4:C-4:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SCC)(H)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HS)(H)	S(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SCC)(H){2|H<1>,4|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HS)(H){1|C<4>,1|O<2>,3|H<1>}	S(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(CH3)	115.4535	0.380	2	115.4535	0.144	2	115.4535	0.144	2	115.4535	0.144	2	112.8664	37.467	5	111.3541	13.998	42
474	474	887	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	S	4:4:3:2:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-4:S-3:C-2:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:C[6a]-3:O-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(SC[6a]O)(CN)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CS)(C[5,6]C[5,6]H)(H)	S(C[5,6]C[5,5,6]C[5,6]C)(C[6a]C[6a]2)(O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(SC[6a]O)(CN){1|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CS)(C[5,6]C[5,6]H)(H){2|C<3>,2|H<1>}	S(C[5,6]C[5,5,6]C[5,6]C)(C[6a]C[6a]2)(O)	107.6510	0.000	1	107.6510	0.000	1	107.6510	0.000	1	107.6510	0.000	1	112.8664	37.467	5	111.3541	13.998	42
474	474	887	0:SP3_SP3_SP3	C[5,6]	C[5,5,6]	S	4:4:3:3:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-4:S-3:C-3:	C[5,5]-4:C[5,6]-4:C[5,6]-3:H-1:	C[5,6]-4:C[6a]-3:O-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(SC[6a]O)(CNO)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CS)(C[5,6]C[5,6]H)(H)	S(C[5,6]C[5,5,6]C[5,6]C)(C[6a]C[6a]2)(O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(SC[6a]O)(CNO){1|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CS)(C[5,6]C[5,6]H)(H){1|Cl<1>,3|H<1>}	S(C[5,6]C[5,5,6]C[5,6]C)(C[6a]C[6a]2)(O)	105.5000	0.000	1	105.5000	0.000	1	105.5000	0.000	1	105.5000	0.000	1	112.8664	37.467	5	111.3541	13.998	42
474	474	887	0:SP3_SP3_SP3	C[5,6]	C[5,6]	S	4:4:3:1:	4:4:2:1:	4:2:1:	C[5,5,6]-4:C[5,6]-4:S-3:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:N-2:O-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SNO)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HS)(OC)(H)	S(C[5,6]C[5,5,6]C[5,6]H)(NC)(O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SNO)(H){2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HS)(OC)(H){3|C<4>,3|H<1>}	S(C[5,6]C[5,5,6]C[5,6]H)(NC)(O)	109.7960	0.000	1	109.7960	0.000	1	109.7960	0.000	1	109.7960	0.000	1	113.4032	23.378	5	111.3541	13.998	42
474	474	887	0:SP3_SP3_SP3	C[5,6]	C[5,6]	S	4:4:3:1:	4:4:2:1:	4:4:4:	C[5,5,6]-4:C[5,6]-4:S-3:H-1:	C[5,5,6]-4:C[5,6]-4:O-2:H-1:	C[5,6]-4:C-4:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SCC)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HS)(OC)(H)	S(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HO)(SCC)(H){2|H<1>,4|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HS)(OC)(H){3|C<4>,3|H<1>}	S(C[5,6]C[5,5,6]C[5,6]H)(CCHH)(CH3)	111.2330	0.011	2	111.2330	0.000	2	111.2330	0.000	2	111.2330	0.000	2	113.4032	23.378	5	111.3541	13.998	42
474	474	887	0:SP3_SP3_SP3	C[5,6]	C[5,6]	S	4:4:3:2:	4:4:3:3:	4:3:1:	C[5,5,6]-4:C[5,6]-4:S-3:C-2:	C[5,5,6]-4:C[5,6]-4:C-3:C-3:	C[5,6]-4:C[6a]-3:O-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(SC[6a]O)(CN)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CS)(COO)2	S(C[5,6]C[5,5,6]C[5,6]C)(C[6a]C[6a]2)(O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(SC[6a]O)(CN){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CS)(COO)2{1|C<3>,4|H<1>}	S(C[5,6]C[5,5,6]C[5,6]C)(C[6a]C[6a]2)(O)	121.8210	0.000	1	121.8210	0.000	1	121.8210	0.000	1	121.8210	0.000	1	113.4032	23.378	5	111.3541	13.998	42
474	474	887	0:SP3_SP3_SP3	C[5,6]	C[5,6]	S	4:4:3:3:	4:4:1:1:	4:3:1:	C[5,5,6]-4:C[5,6]-4:S-3:C-3:	C[5,5,6]-4:C[5,6]-4:Cl-1:H-1:	C[5,6]-4:C[6a]-3:O-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(SC[6a]O)(CNO)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CS)(Cl)(H)	S(C[5,6]C[5,5,6]C[5,6]C)(C[6a]C[6a]2)(O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(SC[6a]O)(CNO){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CS)(Cl)(H){1|C<3>,4|H<1>}	S(C[5,6]C[5,5,6]C[5,6]C)(C[6a]C[6a]2)(O)	112.9330	0.000	1	112.9330	0.000	1	112.9330	0.000	1	112.9330	0.000	1	113.4032	23.378	5	111.3541	13.998	42
474	474	887	0:SP3_SP3_SP3	C[5]	C[5,6]	S	4:4:3:3:	3:3:4:1:	4:3:1:	C[5,6]-4:C[5]-4:S-3:C-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:O-1:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]CH)(SC[6a]O)(COO)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CS)(H)	S(C[5]C[5,6]C[5]C)(C[6a]C[6a]2)(O)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]CH)(SC[6a]O)(COO){1|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CS)(H){1|C<4>,4|C<3>,4|H<1>}	S(C[5]C[5,6]C[5]C)(C[6a]C[6a]2)(O)	105.1810	0.000	1	105.1810	0.000	1	105.1810	0.000	1	105.1810	0.000	1	105.1810	0.000	1	111.3541	13.998	42
474	474	887	0:SP3_SP3_SP3	C[5]	C[5]	S	3:4:3:1:	4:4:2:1:	4:3:1:	C[5,6a]-3:C[5]-4:S-3:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[6a]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(SC[6a]O)(H)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]HS)(OH)(H)	S(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(SC[6a]O)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]HS)(OH)(H){2|C<3>}	S(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(O)	112.4740	0.000	1	112.4740	0.000	1	112.4740	0.000	1	112.4740	0.000	1	110.4219	2.632	15	111.3541	13.998	42
474	474	887	0:SP3_SP3_SP3	C[5]	C[5]	S	4:3:3:4:	4:4:2:1:	3:4:1:	C[5]-4:C[5]-3:S-3:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:O-1:	C[5](C[5]C[5]HO)(C[5]O[5]O)(SC[6a]O)(CH3)	C[5](C[5]C[5]CS)(C[5]O[5]CH)(OH)(H)	S(C[6a]C[6a]2)(C[5]C[5]2C)(O)	C[5](C[5]C[5]HO)(C[5]O[5]O)(SC[6a]O)(CH3){1|C<4>,1|H<1>}	C[5](C[5]C[5]CS)(C[5]O[5]CH)(OH)(H){1|O<1>}	S(C[6a]C[6a]2)(C[5]C[5]2C)(O)	109.5790	0.000	1	109.5790	0.000	1	109.5790	0.000	1	109.5790	0.000	1	110.4219	2.632	15	111.3541	13.998	42
474	474	887	0:SP3_SP3_SP3	C[5]	C[5]	S	4:4:3:1:	3:4:2:1:	3:4:1:	C[5]-4:C[5]-4:S-3:H-1:	C[5,6a]-3:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]HO)2(SC[6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(OH)(H)	S(C[6a]C[6a]2)(C[5]C[5]2H)(O)	C[5](C[5]C[5,6a]HO)2(SC[6a]O)(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HS)(OH)(H){1|O<2>,2|C<3>,2|H<1>}	S(C[6a]C[6a]2)(C[5]C[5]2H)(O)	109.9700	3.374	2	109.9700	11.386	2	109.9700	11.386	2	109.2307	7.333	3	110.4219	2.632	15	111.3541	13.998	42
474	474	887	0:SP3_SP3_SP3	C[5]	C[5]	S	4:4:3:1:	3:4:2:1:	3:4:1:	C[5]-4:C[5]-4:S-3:H-1:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:C[5]-4:O-1:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(SC[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H)	S(C[6a]C[6a]2)(C[5]C[5]2H)(O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(SC[6a]O)(H){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(O[5]C[5])(H){2|C<3>,6|H<1>}	S(C[6a]C[6a]2)(C[5]C[5]2H)(O)	107.7520	0.000	1	107.7520	0.000	1	107.7520	0.000	1	109.2307	7.333	3	110.4219	2.632	15	111.3541	13.998	42
474	474	887	0:SP3_SP3_SP3	C[5]	C[5]	S	4:4:3:1:	4:4:1:1:	3:4:1:	C[5]-4:C[5]-4:S-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5a]-3:C[5]-4:O-1:	C[5](C[5]C[5]HH)2(SC[5a]O)(H)	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2	S(C[5a]C[5a,6a]C[5a])(C[5]C[5]2H)(O)	C[5](C[5]C[5]HH)2(SC[5a]O)(H){4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HS)(H)2{4|H<1>}	S(C[5a]C[5a,6a]C[5a])(C[5]C[5]2H)(O)	110.5095	0.854	4	110.5095	0.729	4	110.5095	0.729	4	111.0080	1.789	5	110.4219	2.632	15	111.3541	13.998	42
474	474	887	0:SP3_SP3_SP3	C[5]	C[5]	S	4:4:3:1:	4:4:1:1:	3:4:1:	C[5]-4:C[5]-4:S-3:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:O-1:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(SC[6a]O)(H)	C[5](C[5]C[5]HS)(C[5]O[5]HH)(H)2	S(C[6a]C[6a]2)(C[5]C[5]2H)(O)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(SC[6a]O)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]HS)(C[5]O[5]HH)(H)2{1|C<3>,1|H<1>}	S(C[6a]C[6a]2)(C[5]C[5]2H)(O)	113.0020	0.000	1	113.0020	0.000	1	113.0020	0.000	1	111.0080	1.789	5	110.4219	2.632	15	111.3541	13.998	42
474	474	887	0:SP3_SP3_SP3	C[5]	C[5]	S	4:4:3:3:	3:4:3:1:	3:4:1:	C[5]-4:C[5]-4:S-3:C-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[5]-4:O-1:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(SC[6a]O)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]CS)(N[5]C[5]C)(H)	S(C[6a]C[6a]2)(C[5]C[5]2C)(O)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(SC[6a]O)(COO){1|C<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CS)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	S(C[6a]C[6a]2)(C[5]C[5]2C)(O)	110.7115	0.972	2	110.7115	0.945	2	110.7115	0.945	2	110.7115	0.945	2	110.4219	2.632	15	111.3541	13.998	42
474	474	887	0:SP3_SP3_SP3	C[5]	C[5]	S	4:4:3:3:	4:3:1:1:	3:4:1:	C[5]-4:C[5]-4:S-3:C-3:	C[5]-4:C[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:O-1:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(SC[6a]O)(COO)	C[5](C[5]C[5]CS)(C[5]N[5]O)(H)2	S(C[6a]C[6a]2)(C[5]C[5]2C)(O)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(SC[6a]O)(COO){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5]CS)(C[5]N[5]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[6a]2)(C[5]C[5]2C)(O)	110.6580	0.543	2	110.6580	0.295	2	110.6580	0.295	2	110.6580	0.295	2	110.4219	2.632	15	111.3541	13.998	42
474	474	887	0:SP3_SP3_SP3	C[5]	C[5]	S	4:4:3:3:	4:4:4:1:	4:3:1:	C[5,6]-4:C[5]-4:S-3:C-3:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:O-1:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]CH)(SC[6a]O)(COO)	C[5](C[5]C[5,6]CS)(C[5]N[5,6]CH)(CHOO)(H)	S(C[5]C[5,6]C[5]C)(C[6a]C[6a]2)(O)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]CH)(SC[6a]O)(COO){1|H<1>,4|C<3>}	C[5](C[5]C[5,6]CS)(C[5]N[5,6]CH)(CHOO)(H){1|H<1>,2|C<3>}	S(C[5]C[5,6]C[5]C)(C[6a]C[6a]2)(O)	108.8050	0.000	1	108.8050	0.000	1	108.8050	0.000	1	108.8050	0.000	1	110.4219	2.632	15	111.3541	13.998	42